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 1c3b_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.450 177.584 -0.224 0.000 1.274 4 A CA 0.000 51.897 52.037 -0.233 0.000 0.836 4 A CB 0.000 18.722 19.000 -0.463 0.000 0.831 5 P HA 0.121 nan 4.420 nan 0.000 0.264 5 P C 0.669 177.866 177.300 -0.172 0.000 1.179 5 P CA 0.263 63.234 63.100 -0.216 0.000 0.763 5 P CB 0.364 31.891 31.700 -0.290 0.000 0.806 6 Q N 1.366 121.103 119.800 -0.105 0.000 2.133 6 Q HA -0.287 4.053 4.340 -0.000 0.000 0.208 6 Q C 1.975 177.924 176.000 -0.086 0.000 0.991 6 Q CA 1.534 57.295 55.803 -0.070 0.000 0.867 6 Q CB -0.331 28.380 28.738 -0.045 0.000 0.911 6 Q HN 0.578 nan 8.270 nan 0.000 0.417 7 Q N 0.513 120.237 119.800 -0.126 0.000 2.014 7 Q HA -0.212 4.128 4.340 -0.000 0.000 0.207 7 Q C 2.167 178.066 176.000 -0.168 0.000 0.993 7 Q CA 1.667 57.383 55.803 -0.144 0.000 0.850 7 Q CB -0.174 28.449 28.738 -0.192 0.000 0.916 7 Q HN 0.452 nan 8.270 nan 0.000 0.417 8 I N 0.384 120.802 120.570 -0.254 0.000 2.163 8 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 8 I C 2.009 178.061 176.117 -0.108 0.000 1.085 8 I CA 1.333 62.495 61.300 -0.230 0.000 1.347 8 I CB -0.510 37.293 38.000 -0.327 0.000 1.044 8 I HN 0.332 nan 8.210 nan 0.000 0.408 9 N N 0.463 119.153 118.700 -0.017 0.000 2.061 9 N HA -0.263 4.477 4.740 -0.000 0.000 0.193 9 N C 1.572 177.113 175.510 0.052 0.000 1.030 9 N CA 1.679 54.785 53.050 0.094 0.000 0.856 9 N CB -0.086 38.445 38.487 0.073 0.000 1.023 9 N HN 0.301 nan 8.380 nan 0.000 0.424 10 D N 0.962 121.370 120.400 0.013 0.000 2.087 10 D HA -0.135 4.505 4.640 -0.000 0.000 0.192 10 D C 2.022 178.336 176.300 0.023 0.000 0.993 10 D CA 1.196 55.217 54.000 0.033 0.000 0.828 10 D CB -0.130 40.671 40.800 0.002 0.000 0.968 10 D HN 0.352 nan 8.370 nan 0.000 0.448 11 I N -1.223 119.327 120.570 -0.032 0.000 2.226 11 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 11 I C 2.315 178.406 176.117 -0.043 0.000 1.100 11 I CA 0.756 62.031 61.300 -0.042 0.000 1.374 11 I CB -0.998 36.961 38.000 -0.068 0.000 1.057 11 I HN -0.086 nan 8.210 nan 0.000 0.413 12 V N 1.489 121.344 119.914 -0.098 0.000 2.287 12 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 12 V C 2.751 178.888 176.094 0.072 0.000 1.053 12 V CA 2.557 64.778 62.300 -0.133 0.000 1.027 12 V CB -1.274 30.214 31.823 -0.557 0.000 0.646 12 V HN 0.567 nan 8.190 nan 0.000 0.447 13 H N 0.380 119.473 119.070 0.038 0.000 2.321 13 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 13 H C 2.632 178.012 175.328 0.085 0.000 1.087 13 H CA 1.766 57.903 56.048 0.149 0.000 1.319 13 H CB 0.191 30.031 29.762 0.130 0.000 1.379 13 H HN 0.318 nan 8.280 nan 0.000 0.501 14 R N -0.449 120.033 120.500 -0.031 0.000 2.120 14 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 14 R C 2.168 178.413 176.300 -0.092 0.000 1.123 14 R CA 1.663 57.700 56.100 -0.105 0.000 0.975 14 R CB -0.090 30.188 30.300 -0.037 0.000 0.866 14 R HN 0.362 nan 8.270 nan 0.000 0.446 15 T N 1.009 115.529 114.554 -0.058 0.000 2.837 15 T HA 0.045 4.395 4.350 -0.000 0.000 0.248 15 T C 1.871 176.511 174.700 -0.099 0.000 1.033 15 T CA 0.494 62.561 62.100 -0.056 0.000 1.150 15 T CB 0.052 68.904 68.868 -0.025 0.000 0.865 15 T HN -0.034 nan 8.240 nan 0.000 0.425 16 I N 2.278 122.774 120.570 -0.124 0.000 2.233 16 I HA -0.071 4.099 4.170 -0.000 0.000 0.243 16 I C 2.645 178.504 176.117 -0.430 0.000 1.093 16 I CA 1.294 62.414 61.300 -0.299 0.000 1.380 16 I CB -2.112 35.613 38.000 -0.459 0.000 1.067 16 I HN 0.239 nan 8.210 nan 0.000 0.413 17 T N 2.307 116.695 114.554 -0.275 0.000 2.665 17 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 17 T C -0.253 174.315 174.700 -0.220 0.000 1.035 17 T CA 1.837 63.803 62.100 -0.224 0.000 1.151 17 T CB -1.514 67.342 68.868 -0.021 0.000 0.862 17 T HN 0.253 nan 8.240 nan 0.000 0.438 18 P HA 0.017 nan 4.420 nan 0.000 0.217 18 P C 1.691 178.899 177.300 -0.153 0.000 1.150 18 P CA 0.505 63.520 63.100 -0.141 0.000 0.832 18 P CB -0.199 31.433 31.700 -0.114 0.000 0.787 19 L N -0.810 120.303 121.223 -0.184 0.000 2.083 19 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 19 L C 2.186 178.895 176.870 -0.268 0.000 1.083 19 L CA 1.721 56.444 54.840 -0.195 0.000 0.752 19 L CB -1.083 40.863 42.059 -0.188 0.000 0.899 19 L HN -0.176 nan 8.230 nan 0.000 0.433 20 I N -0.471 119.896 120.570 -0.338 0.000 2.361 20 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 20 I C 2.317 178.306 176.117 -0.213 0.000 1.133 20 I CA 0.810 61.907 61.300 -0.338 0.000 1.413 20 I CB -0.323 37.422 38.000 -0.426 0.000 1.073 20 I HN 0.297 nan 8.210 nan 0.000 0.424 21 E N 0.425 120.523 120.200 -0.169 0.000 2.028 21 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 21 E C 2.194 178.739 176.600 -0.092 0.000 0.984 21 E CA 1.224 57.561 56.400 -0.105 0.000 0.800 21 E CB -0.491 29.162 29.700 -0.079 0.000 0.758 21 E HN 0.527 nan 8.360 nan 0.000 0.448 22 Q N 0.255 119.998 119.800 -0.095 0.000 2.124 22 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 22 Q C 2.031 177.990 176.000 -0.068 0.000 0.977 22 Q CA 1.204 56.965 55.803 -0.069 0.000 0.850 22 Q CB 0.079 28.782 28.738 -0.058 0.000 0.901 22 Q HN 0.163 nan 8.270 nan 0.000 0.429 23 Q N 0.228 119.960 119.800 -0.113 0.000 2.424 23 Q HA 0.035 4.375 4.340 -0.000 0.000 0.204 23 Q C -0.330 175.615 176.000 -0.092 0.000 0.933 23 Q CA 0.353 56.092 55.803 -0.107 0.000 0.929 23 Q CB 0.481 29.078 28.738 -0.236 0.000 1.037 23 Q HN 0.297 nan 8.270 nan 0.000 0.511 24 K N 0.734 121.075 120.400 -0.098 0.000 3.244 24 K HA -0.169 4.150 4.320 -0.000 0.000 0.270 24 K C -0.676 175.882 176.600 -0.070 0.000 1.016 24 K CA 0.199 56.444 56.287 -0.070 0.000 0.754 24 K CB -2.048 30.427 32.500 -0.041 0.000 1.326 24 K HN 0.235 nan 8.250 nan 0.000 0.465 25 I N 1.122 121.625 120.570 -0.113 0.000 2.337 25 I HA 0.044 4.214 4.170 -0.000 0.000 0.291 25 I C -0.928 175.186 176.117 -0.006 0.000 1.046 25 I CA -2.299 58.952 61.300 -0.081 0.000 1.324 25 I CB 0.837 38.720 38.000 -0.194 0.000 1.409 25 I HN 0.044 nan 8.210 nan 0.000 0.494 26 P HA -0.101 nan 4.420 nan 0.000 0.214 26 P C 0.489 177.886 177.300 0.162 0.000 1.163 26 P CA 0.794 63.943 63.100 0.083 0.000 0.889 26 P CB 0.198 31.940 31.700 0.069 0.000 0.790 27 G N -1.660 107.288 108.800 0.247 0.000 2.620 27 G HA2 0.685 4.645 3.960 -0.000 0.000 0.301 27 G HA3 0.685 4.645 3.960 -0.000 0.000 0.301 27 G C -1.825 173.316 174.900 0.403 0.000 1.347 27 G CA -0.424 44.877 45.100 0.337 0.000 0.971 27 G HN 0.086 nan 8.290 nan 0.000 0.488 28 M N 1.307 121.179 119.600 0.454 0.000 2.365 28 M HA 0.701 5.181 4.480 -0.000 0.000 0.287 28 M C -1.395 175.238 176.300 0.556 0.000 1.154 28 M CA -0.410 55.136 55.300 0.410 0.000 0.941 28 M CB 2.215 34.928 32.600 0.188 0.000 1.704 28 M HN 0.977 nan 8.290 nan 0.000 0.479 29 A N 3.838 126.872 122.820 0.357 0.000 2.343 29 A HA 0.867 5.187 4.320 -0.000 0.000 0.316 29 A C -1.660 176.148 177.584 0.373 0.000 1.104 29 A CA -0.626 51.646 52.037 0.392 0.000 0.768 29 A CB 1.542 20.723 19.000 0.303 0.000 1.213 29 A HN 0.647 nan 8.150 nan 0.000 0.456 30 V N 1.244 121.484 119.914 0.543 0.000 2.709 30 V HA 0.786 4.906 4.120 -0.000 0.000 0.308 30 V C 0.085 176.500 176.094 0.536 0.000 1.062 30 V CA -0.241 62.361 62.300 0.502 0.000 0.901 30 V CB 1.803 33.965 31.823 0.564 0.000 1.003 30 V HN 1.353 nan 8.190 nan 0.000 0.425 31 A N 4.252 127.303 122.820 0.384 0.000 2.343 31 A HA 0.873 5.193 4.320 -0.000 0.000 0.308 31 A C -1.065 176.644 177.584 0.208 0.000 1.092 31 A CA -0.534 51.662 52.037 0.266 0.000 0.751 31 A CB 1.684 20.802 19.000 0.196 0.000 1.203 31 A HN 0.662 nan 8.150 nan 0.000 0.452 32 V N 3.465 123.520 119.914 0.234 0.000 2.417 32 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 32 V C -0.721 175.480 176.094 0.179 0.000 1.024 32 V CA -0.330 62.100 62.300 0.215 0.000 0.861 32 V CB 1.311 33.295 31.823 0.269 0.000 0.985 32 V HN 0.721 nan 8.190 nan 0.000 0.436 33 I N 5.494 126.128 120.570 0.106 0.000 2.297 33 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 33 I C -0.601 175.608 176.117 0.153 0.000 1.033 33 I CA -0.226 61.103 61.300 0.049 0.000 1.253 33 I CB 0.618 38.584 38.000 -0.057 0.000 1.396 33 I HN 0.604 nan 8.210 nan 0.000 0.476 34 Y N 5.606 125.970 120.300 0.107 0.000 2.326 34 Y HA 0.353 4.903 4.550 0.000 0.000 0.331 34 Y C 0.328 176.278 175.900 0.084 0.000 0.962 34 Y CA -0.571 57.603 58.100 0.124 0.000 1.167 34 Y CB 0.807 39.406 38.460 0.231 0.000 1.148 34 Y HN 0.639 nan 8.280 nan 0.000 0.463 35 Q N 4.628 124.142 119.800 -0.476 0.000 2.451 35 Q HA -0.254 4.086 4.340 -0.000 0.000 0.305 35 Q C 1.030 176.922 176.000 -0.180 0.000 1.345 35 Q CA 1.090 56.665 55.803 -0.379 0.000 0.854 35 Q CB -1.477 26.988 28.738 -0.456 0.000 1.162 35 Q HN 1.329 nan 8.270 nan 0.000 0.440 36 G N -0.679 108.029 108.800 -0.153 0.000 2.189 36 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 36 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 36 G C -0.013 174.816 174.900 -0.118 0.000 0.975 36 G CA 0.809 45.831 45.100 -0.131 0.000 0.644 36 G HN 0.265 nan 8.290 nan 0.000 0.537 37 K N 0.974 121.313 120.400 -0.101 0.000 2.270 37 K HA 0.504 4.824 4.320 -0.000 0.000 0.255 37 K C -2.812 173.570 176.600 -0.364 0.000 0.936 37 K CA -1.870 54.295 56.287 -0.204 0.000 0.809 37 K CB 3.291 35.680 32.500 -0.185 0.000 1.131 37 K HN 0.078 nan 8.250 nan 0.000 0.427 38 P HA 0.288 nan 4.420 nan 0.000 0.286 38 P C -1.465 175.188 177.300 -1.078 0.000 1.261 38 P CA -0.436 62.290 63.100 -0.624 0.000 0.821 38 P CB 0.631 32.035 31.700 -0.493 0.000 1.013 39 Y N 0.789 120.824 120.300 -0.442 0.000 2.386 39 Y HA 0.424 4.974 4.550 -0.000 0.000 0.334 39 Y C -0.176 175.417 175.900 -0.512 0.000 1.002 39 Y CA -0.490 57.382 58.100 -0.381 0.000 1.068 39 Y CB 1.693 40.122 38.460 -0.051 0.000 1.203 39 Y HN 0.275 nan 8.280 nan 0.000 0.443 40 Y N 2.490 122.677 120.300 -0.188 0.000 2.420 40 Y HA 0.703 5.253 4.550 -0.000 0.000 0.334 40 Y C -0.846 174.659 175.900 -0.659 0.000 1.094 40 Y CA -1.277 56.712 58.100 -0.184 0.000 1.126 40 Y CB 1.345 39.761 38.460 -0.073 0.000 1.217 40 Y HN 0.386 nan 8.280 nan 0.000 0.462 41 F N 0.034 120.078 119.950 0.157 0.000 2.565 41 F HA 0.663 5.190 4.527 -0.000 0.000 0.313 41 F C -0.050 175.637 175.800 -0.189 0.000 1.091 41 F CA -0.794 57.110 58.000 -0.160 0.000 0.915 41 F CB 2.524 41.409 39.000 -0.192 0.000 1.208 41 F HN 0.280 nan 8.300 nan 0.000 0.453 42 T N 2.182 116.513 114.554 -0.372 0.000 2.916 42 T HA 0.508 4.858 4.350 -0.000 0.000 0.305 42 T C -1.776 172.756 174.700 -0.280 0.000 1.119 42 T CA -0.639 61.404 62.100 -0.094 0.000 1.008 42 T CB 1.309 70.176 68.868 -0.002 0.000 1.129 42 T HN 0.489 nan 8.240 nan 0.000 0.480 43 W N 1.184 122.573 121.300 0.147 0.000 3.167 43 W HA 0.466 5.126 4.660 -0.000 0.000 0.324 43 W C 0.715 177.259 176.519 0.041 0.000 1.230 43 W CA -0.453 56.942 57.345 0.083 0.000 1.184 43 W CB 1.297 30.809 29.460 0.087 0.000 1.414 43 W HN 1.147 nan 8.180 nan 0.000 0.551 44 G N 1.267 110.163 108.800 0.161 0.000 2.578 44 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.275 44 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.275 44 G C -1.294 173.528 174.900 -0.129 0.000 1.271 44 G CA 0.096 45.136 45.100 -0.101 0.000 0.941 44 G HN 0.531 nan 8.290 nan 0.000 0.564 45 Y N -0.502 119.902 120.300 0.173 0.000 2.487 45 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 45 Y C 1.345 177.373 175.900 0.212 0.000 1.076 45 Y CA -0.316 57.883 58.100 0.165 0.000 1.115 45 Y CB 1.957 40.490 38.460 0.122 0.000 1.235 45 Y HN 0.746 nan 8.280 nan 0.000 0.468 46 A N 0.228 123.271 122.820 0.372 0.000 2.095 46 A HA 0.040 4.360 4.320 -0.000 0.000 0.212 46 A C 0.058 177.842 177.584 0.333 0.000 1.162 46 A CA 0.968 53.159 52.037 0.257 0.000 0.753 46 A CB 0.140 19.211 19.000 0.119 0.000 0.840 46 A HN 0.664 nan 8.150 nan 0.000 0.468 47 D N -0.783 119.828 120.400 0.351 0.000 2.323 47 D HA 0.332 4.972 4.640 -0.000 0.000 0.242 47 D C 0.513 176.898 176.300 0.142 0.000 1.347 47 D CA -0.407 53.812 54.000 0.366 0.000 0.988 47 D CB 0.430 41.411 40.800 0.301 0.000 1.314 47 D HN 0.112 nan 8.370 nan 0.000 0.564 48 I N 2.027 122.660 120.570 0.105 0.000 2.264 48 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 48 I C 2.524 178.485 176.117 -0.261 0.000 1.111 48 I CA 1.325 62.500 61.300 -0.209 0.000 1.382 48 I CB -0.112 37.756 38.000 -0.220 0.000 1.060 48 I HN 0.408 nan 8.210 nan 0.000 0.418 49 A N 1.008 123.763 122.820 -0.108 0.000 1.851 49 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 49 A C 2.073 179.589 177.584 -0.114 0.000 1.195 49 A CA 1.624 53.600 52.037 -0.102 0.000 0.622 49 A CB -0.346 18.617 19.000 -0.062 0.000 0.831 49 A HN 0.237 nan 8.150 nan 0.000 0.444 50 K N -0.414 119.944 120.400 -0.070 0.000 2.522 50 K HA 0.115 4.435 4.320 -0.000 0.000 0.194 50 K C -0.090 176.429 176.600 -0.135 0.000 1.026 50 K CA 0.268 56.518 56.287 -0.062 0.000 1.119 50 K CB -0.046 32.462 32.500 0.013 0.000 0.856 50 K HN 0.532 nan 8.250 nan 0.000 0.513 51 K N 1.415 121.609 120.400 -0.343 0.000 3.003 51 K HA -0.231 4.089 4.320 -0.000 0.000 0.257 51 K C 0.060 176.554 176.600 -0.176 0.000 0.958 51 K CA 0.512 56.400 56.287 -0.666 0.000 0.707 51 K CB -1.110 31.138 32.500 -0.420 0.000 1.279 51 K HN 0.344 nan 8.250 nan 0.000 0.479 52 Q N 0.825 120.612 119.800 -0.022 0.000 2.288 52 Q HA 0.160 4.500 4.340 -0.000 0.000 0.258 52 Q C -2.244 173.934 176.000 0.297 0.000 0.957 52 Q CA -1.935 53.946 55.803 0.130 0.000 0.919 52 Q CB 0.967 29.768 28.738 0.104 0.000 1.185 52 Q HN 0.002 nan 8.270 nan 0.000 0.408 53 P HA 0.101 nan 4.420 nan 0.000 0.278 53 P C -0.751 176.666 177.300 0.194 0.000 1.258 53 P CA -0.442 62.823 63.100 0.274 0.000 0.811 53 P CB 0.918 32.729 31.700 0.186 0.000 1.063 54 V N 1.692 121.728 119.914 0.204 0.000 2.508 54 V HA 0.272 4.392 4.120 -0.000 0.000 0.281 54 V C 1.180 177.373 176.094 0.165 0.000 1.041 54 V CA 0.637 63.071 62.300 0.223 0.000 1.016 54 V CB 0.182 32.217 31.823 0.353 0.000 0.984 54 V HN 0.881 nan 8.190 nan 0.000 0.478 55 T N 1.987 116.620 114.554 0.132 0.000 2.724 55 T HA 0.328 4.678 4.350 -0.000 0.000 0.274 55 T C 0.504 175.242 174.700 0.063 0.000 0.984 55 T CA -0.758 61.383 62.100 0.067 0.000 1.024 55 T CB 1.660 70.539 68.868 0.018 0.000 1.320 55 T HN 0.363 nan 8.240 nan 0.000 0.555 56 Q N -0.087 119.691 119.800 -0.036 0.000 2.436 56 Q HA 0.014 4.354 4.340 -0.000 0.000 0.209 56 Q C 1.458 177.401 176.000 -0.094 0.000 0.965 56 Q CA 1.118 56.849 55.803 -0.119 0.000 0.910 56 Q CB -0.090 28.485 28.738 -0.272 0.000 0.980 56 Q HN 0.740 nan 8.270 nan 0.000 0.491 57 Q N -0.101 119.653 119.800 -0.078 0.000 2.247 57 Q HA 0.131 4.471 4.340 -0.000 0.000 0.211 57 Q C -0.175 175.790 176.000 -0.059 0.000 0.861 57 Q CA -0.051 55.674 55.803 -0.130 0.000 0.949 57 Q CB 0.836 29.466 28.738 -0.180 0.000 1.115 57 Q HN 0.083 nan 8.270 nan 0.000 0.507 58 T N 1.703 116.266 114.554 0.015 0.000 2.870 58 T HA 0.209 4.559 4.350 -0.000 0.000 0.300 58 T C 0.036 174.724 174.700 -0.021 0.000 0.989 58 T CA 0.062 62.144 62.100 -0.029 0.000 1.139 58 T CB 0.621 69.449 68.868 -0.065 0.000 0.920 58 T HN 0.151 nan 8.240 nan 0.000 0.537 59 L N 3.725 124.899 121.223 -0.082 0.000 2.326 59 L HA 0.511 4.851 4.340 -0.000 0.000 0.278 59 L C -0.612 176.192 176.870 -0.111 0.000 1.092 59 L CA -0.430 54.378 54.840 -0.052 0.000 0.810 59 L CB 0.534 42.496 42.059 -0.162 0.000 1.153 59 L HN 0.582 nan 8.230 nan 0.000 0.439 60 F N 0.801 120.742 119.950 -0.015 0.000 2.551 60 F HA 0.332 4.859 4.527 0.000 0.000 0.316 60 F C 0.276 175.827 175.800 -0.415 0.000 1.089 60 F CA -0.788 57.152 58.000 -0.100 0.000 0.915 60 F CB 1.810 40.895 39.000 0.142 0.000 1.186 60 F HN 0.387 nan 8.300 nan 0.000 0.456 61 E N 3.111 122.822 120.200 -0.815 0.000 2.259 61 E HA 0.188 4.538 4.350 -0.000 0.000 0.281 61 E C 0.445 176.953 176.600 -0.154 0.000 1.037 61 E CA -0.083 56.014 56.400 -0.504 0.000 0.854 61 E CB 0.965 30.310 29.700 -0.590 0.000 1.051 61 E HN 0.628 nan 8.360 nan 0.000 0.409 62 L N 2.804 124.021 121.223 -0.009 0.000 2.418 62 L HA 0.090 4.430 4.340 -0.000 0.000 0.218 62 L C 1.393 178.361 176.870 0.162 0.000 1.125 62 L CA 0.509 55.415 54.840 0.109 0.000 0.835 62 L CB -0.764 41.364 42.059 0.117 0.000 0.953 62 L HN 0.901 nan 8.230 nan 0.000 0.454 63 G N 0.304 109.203 108.800 0.165 0.000 2.550 63 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.277 63 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.277 63 G C 0.713 175.761 174.900 0.248 0.000 1.190 63 G CA 0.239 45.468 45.100 0.214 0.000 0.971 63 G HN 0.160 nan 8.290 nan 0.000 0.559 64 S N -0.042 115.803 115.700 0.241 0.000 2.595 64 S HA 0.107 4.577 4.470 -0.000 0.000 0.235 64 S C 2.245 176.978 174.600 0.222 0.000 0.974 64 S CA 1.112 59.470 58.200 0.264 0.000 0.942 64 S CB -0.012 63.382 63.200 0.322 0.000 0.766 64 S HN 0.751 nan 8.310 nan 0.000 0.536 65 V N 1.368 121.402 119.914 0.200 0.000 3.078 65 V HA -0.087 4.033 4.120 -0.000 0.000 0.265 65 V C 2.081 178.287 176.094 0.187 0.000 1.122 65 V CA 1.167 63.567 62.300 0.166 0.000 1.141 65 V CB -0.686 31.258 31.823 0.201 0.000 0.735 65 V HN 0.439 nan 8.190 nan 0.000 0.498 66 S N -0.004 115.834 115.700 0.230 0.000 2.399 66 S HA -0.218 4.252 4.470 -0.000 0.000 0.231 66 S C 1.953 176.699 174.600 0.243 0.000 1.022 66 S CA 1.284 59.650 58.200 0.276 0.000 0.983 66 S CB -0.240 63.066 63.200 0.175 0.000 0.803 66 S HN 0.634 nan 8.310 nan 0.000 0.480 67 K N 0.869 121.370 120.400 0.168 0.000 2.218 67 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 67 K C 2.392 179.002 176.600 0.017 0.000 1.046 67 K CA 1.677 58.041 56.287 0.128 0.000 0.933 67 K CB -0.567 32.036 32.500 0.172 0.000 0.728 67 K HN 0.632 nan 8.250 nan 0.000 0.454 68 T N -1.317 113.147 114.554 -0.150 0.000 2.904 68 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 68 T C 1.753 176.367 174.700 -0.144 0.000 1.059 68 T CA 0.718 62.510 62.100 -0.513 0.000 1.137 68 T CB -0.324 67.838 68.868 -1.176 0.000 0.879 68 T HN 0.010 nan 8.240 nan 0.000 0.467 69 F N 2.177 122.115 119.950 -0.019 0.000 2.128 69 F HA 0.055 4.582 4.527 0.000 0.000 0.295 69 F C 3.009 178.832 175.800 0.038 0.000 1.100 69 F CA 1.329 59.287 58.000 -0.070 0.000 1.260 69 F CB -1.079 37.789 39.000 -0.220 0.000 1.009 69 F HN 0.120 nan 8.300 nan 0.000 0.476 70 T N -0.639 114.081 114.554 0.276 0.000 2.788 70 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 70 T C 2.321 177.184 174.700 0.271 0.000 1.044 70 T CA 1.413 63.688 62.100 0.291 0.000 1.139 70 T CB -0.978 68.066 68.868 0.293 0.000 0.867 70 T HN 0.439 nan 8.240 nan 0.000 0.454 71 G N 0.691 109.612 108.800 0.203 0.000 2.402 71 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 71 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 71 G C 1.668 176.709 174.900 0.235 0.000 1.162 71 G CA 0.642 45.864 45.100 0.203 0.000 0.777 71 G HN 0.438 nan 8.290 nan 0.000 0.539 72 V N 0.562 120.618 119.914 0.236 0.000 2.548 72 V HA -0.055 4.065 4.120 -0.000 0.000 0.249 72 V C 2.615 178.819 176.094 0.184 0.000 1.055 72 V CA 1.318 63.776 62.300 0.263 0.000 1.065 72 V CB -0.144 31.929 31.823 0.417 0.000 0.681 72 V HN 0.346 nan 8.190 nan 0.000 0.462 73 L N 1.458 122.761 121.223 0.134 0.000 2.046 73 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 73 L C 2.299 179.179 176.870 0.016 0.000 1.077 73 L CA 2.449 57.294 54.840 0.008 0.000 0.747 73 L CB -1.325 40.667 42.059 -0.111 0.000 0.896 73 L HN 0.255 nan 8.230 nan 0.000 0.432 74 G N -1.014 107.849 108.800 0.104 0.000 2.421 74 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 74 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 74 G C 1.539 176.535 174.900 0.160 0.000 1.171 74 G CA 0.567 45.747 45.100 0.133 0.000 0.775 74 G HN 0.592 nan 8.290 nan 0.000 0.543 75 G N 0.648 109.559 108.800 0.185 0.000 2.442 75 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 75 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 75 G C 1.451 176.406 174.900 0.092 0.000 1.141 75 G CA 1.455 46.644 45.100 0.147 0.000 0.763 75 G HN 0.529 nan 8.290 nan 0.000 0.554 76 D N 0.501 120.942 120.400 0.069 0.000 2.117 76 D HA 0.043 4.683 4.640 -0.000 0.000 0.197 76 D C 2.651 178.954 176.300 0.006 0.000 0.987 76 D CA 1.429 55.448 54.000 0.032 0.000 0.829 76 D CB -0.285 40.524 40.800 0.014 0.000 0.961 76 D HN 0.244 nan 8.370 nan 0.000 0.460 77 A N -0.105 122.706 122.820 -0.015 0.000 1.972 77 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 77 A C 2.275 179.852 177.584 -0.013 0.000 1.169 77 A CA 1.012 53.024 52.037 -0.042 0.000 0.635 77 A CB -0.697 18.242 19.000 -0.102 0.000 0.810 77 A HN 0.400 nan 8.150 nan 0.000 0.446 78 I N -0.421 120.161 120.570 0.020 0.000 2.286 78 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 78 I C 2.855 178.993 176.117 0.035 0.000 1.104 78 I CA 1.020 62.344 61.300 0.039 0.000 1.397 78 I CB -0.223 37.820 38.000 0.071 0.000 1.072 78 I HN 0.311 nan 8.210 nan 0.000 0.417 79 A N 0.465 123.305 122.820 0.034 0.000 2.015 79 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 79 A C 2.297 179.890 177.584 0.015 0.000 1.163 79 A CA 1.137 53.191 52.037 0.027 0.000 0.646 79 A CB -0.491 18.525 19.000 0.027 0.000 0.806 79 A HN 0.307 nan 8.150 nan 0.000 0.448 80 R N -1.429 119.076 120.500 0.008 0.000 2.307 80 R HA 0.113 4.453 4.340 -0.000 0.000 0.199 80 R C 1.347 177.651 176.300 0.006 0.000 1.000 80 R CA 0.573 56.673 56.100 0.000 0.000 1.023 80 R CB -0.156 30.137 30.300 -0.013 0.000 0.908 80 R HN 0.679 nan 8.270 nan 0.000 0.473 81 G N 0.934 109.743 108.800 0.015 0.000 2.148 81 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 81 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 81 G C 0.519 175.436 174.900 0.029 0.000 0.981 81 G CA 0.578 45.693 45.100 0.024 0.000 0.670 81 G HN 0.452 nan 8.290 nan 0.000 0.528 82 E N -0.548 119.661 120.200 0.016 0.000 2.230 82 E HA 0.271 4.620 4.350 -0.000 0.000 0.192 82 E C 1.458 178.084 176.600 0.044 0.000 0.987 82 E CA 1.100 57.513 56.400 0.021 0.000 0.841 82 E CB 0.190 29.881 29.700 -0.015 0.000 0.783 82 E HN 0.916 nan 8.360 nan 0.000 0.481 83 I N -3.084 117.497 120.570 0.018 0.000 3.095 83 I HA 0.501 4.671 4.170 -0.000 0.000 0.310 83 I C -1.293 174.864 176.117 0.066 0.000 1.196 83 I CA -1.226 60.085 61.300 0.019 0.000 0.985 83 I CB 2.329 40.208 38.000 -0.202 0.000 1.250 83 I HN -0.378 nan 8.210 nan 0.000 0.446 84 K N 2.433 122.902 120.400 0.116 0.000 2.422 84 K HA 0.513 4.833 4.320 -0.000 0.000 0.251 84 K C 0.018 176.685 176.600 0.113 0.000 0.933 84 K CA -0.757 55.596 56.287 0.110 0.000 0.798 84 K CB 2.782 35.355 32.500 0.122 0.000 1.238 84 K HN 0.648 nan 8.250 nan 0.000 0.428 85 L N 1.100 122.371 121.223 0.080 0.000 2.291 85 L HA -0.121 4.219 4.340 -0.000 0.000 0.214 85 L C 1.794 178.689 176.870 0.042 0.000 1.120 85 L CA 1.145 56.013 54.840 0.047 0.000 0.799 85 L CB -0.115 41.926 42.059 -0.031 0.000 0.925 85 L HN 0.665 nan 8.230 nan 0.000 0.446 86 S N -2.665 113.073 115.700 0.062 0.000 2.527 86 S HA 0.008 4.478 4.470 -0.000 0.000 0.222 86 S C 0.526 175.189 174.600 0.106 0.000 0.985 86 S CA -0.271 57.966 58.200 0.062 0.000 0.921 86 S CB -0.325 62.910 63.200 0.059 0.000 0.772 86 S HN 0.214 nan 8.310 nan 0.000 0.529 87 D N 4.293 124.786 120.400 0.156 0.000 2.389 87 D HA 0.278 4.918 4.640 -0.000 0.000 0.247 87 D C -2.329 174.110 176.300 0.231 0.000 1.128 87 D CA -1.554 52.569 54.000 0.206 0.000 0.884 87 D CB 0.633 41.648 40.800 0.358 0.000 1.194 87 D HN 0.189 nan 8.370 nan 0.000 0.441 88 P HA 0.010 nan 4.420 nan 0.000 0.269 88 P C 0.619 178.067 177.300 0.247 0.000 1.215 88 P CA -0.189 63.029 63.100 0.198 0.000 0.780 88 P CB 0.730 32.510 31.700 0.133 0.000 0.898 89 T N 1.094 115.823 114.554 0.292 0.000 2.708 89 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 89 T C 1.602 176.431 174.700 0.215 0.000 1.037 89 T CA 2.135 64.418 62.100 0.305 0.000 1.146 89 T CB -0.995 68.073 68.868 0.333 0.000 0.865 89 T HN 0.507 nan 8.240 nan 0.000 0.435 90 T N 1.636 116.270 114.554 0.133 0.000 2.946 90 T HA -0.076 4.274 4.350 -0.000 0.000 0.271 90 T C 1.762 176.462 174.700 0.001 0.000 1.104 90 T CA 0.895 63.023 62.100 0.045 0.000 1.114 90 T CB -0.152 68.733 68.868 0.028 0.000 0.867 90 T HN 0.426 nan 8.240 nan 0.000 0.513 91 K N 0.193 120.551 120.400 -0.069 0.000 2.283 91 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 91 K C 0.812 177.099 176.600 -0.522 0.000 1.048 91 K CA 1.111 57.204 56.287 -0.325 0.000 0.948 91 K CB -0.006 32.201 32.500 -0.488 0.000 0.742 91 K HN 0.435 nan 8.250 nan 0.000 0.458 92 Y N -2.310 118.034 120.300 0.074 0.000 2.481 92 Y HA 0.155 4.705 4.550 -0.000 0.000 0.247 92 Y C -0.136 175.833 175.900 0.114 0.000 1.151 92 Y CA -0.617 57.514 58.100 0.052 0.000 1.238 92 Y CB 0.705 39.169 38.460 0.007 0.000 1.179 92 Y HN 0.109 nan 8.280 nan 0.000 0.524 93 W N 2.072 123.364 121.300 -0.014 0.000 1.982 93 W HA 0.396 5.056 4.660 -0.000 0.000 0.299 93 W C -2.666 173.801 176.519 -0.088 0.000 1.011 93 W CA -3.455 53.849 57.345 -0.068 0.000 1.324 93 W CB 0.992 30.370 29.460 -0.137 0.000 1.372 93 W HN -0.121 nan 8.180 nan 0.000 0.323 94 P HA -0.196 nan 4.420 nan 0.000 0.220 94 P C 0.953 178.211 177.300 -0.070 0.000 1.144 94 P CA 2.036 65.145 63.100 0.015 0.000 0.800 94 P CB 0.443 32.163 31.700 0.032 0.000 0.772 95 E N -1.199 118.927 120.200 -0.123 0.000 2.358 95 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 95 E C 0.391 176.707 176.600 -0.473 0.000 1.010 95 E CA -0.017 56.239 56.400 -0.240 0.000 0.856 95 E CB -0.334 29.268 29.700 -0.163 0.000 0.795 95 E HN 0.102 nan 8.360 nan 0.000 0.504 96 L N 1.688 122.470 121.223 -0.736 0.000 2.448 96 L HA 0.033 4.373 4.340 -0.000 0.000 0.278 96 L C 0.639 177.289 176.870 -0.367 0.000 1.201 96 L CA 0.904 55.259 54.840 -0.809 0.000 1.036 96 L CB 0.055 41.468 42.059 -1.077 0.000 1.325 96 L HN -0.093 nan 8.230 nan 0.000 0.441 97 T N 1.857 116.275 114.554 -0.228 0.000 3.040 97 T HA 0.245 4.595 4.350 -0.000 0.000 0.252 97 T C 0.939 175.654 174.700 0.025 0.000 1.064 97 T CA 0.407 62.462 62.100 -0.074 0.000 1.110 97 T CB 0.151 68.978 68.868 -0.069 0.000 0.921 97 T HN 0.632 nan 8.240 nan 0.000 0.480 98 A N 2.233 125.091 122.820 0.064 0.000 2.598 98 A HA 0.010 4.330 4.320 -0.000 0.000 0.239 98 A C 1.638 179.337 177.584 0.191 0.000 1.032 98 A CA 0.312 52.436 52.037 0.144 0.000 0.760 98 A CB 0.073 19.208 19.000 0.225 0.000 0.946 98 A HN 0.286 nan 8.150 nan 0.000 0.512 99 K N 1.070 121.529 120.400 0.098 0.000 2.160 99 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 99 K C 2.090 178.723 176.600 0.054 0.000 1.047 99 K CA 1.938 58.266 56.287 0.069 0.000 0.930 99 K CB 0.013 32.526 32.500 0.021 0.000 0.720 99 K HN 0.989 nan 8.250 nan 0.000 0.450 100 Q N -0.867 118.936 119.800 0.005 0.000 2.364 100 Q HA -0.179 4.161 4.340 -0.000 0.000 0.207 100 Q C 1.104 177.011 176.000 -0.154 0.000 0.970 100 Q CA 1.193 56.916 55.803 -0.133 0.000 0.888 100 Q CB -0.562 28.000 28.738 -0.293 0.000 0.951 100 Q HN 0.405 nan 8.270 nan 0.000 0.469 101 W N 1.745 123.095 121.300 0.083 0.000 3.180 101 W HA 0.200 4.860 4.660 -0.000 0.000 0.254 101 W C 1.903 178.479 176.519 0.096 0.000 1.318 101 W CA -0.132 57.285 57.345 0.121 0.000 1.608 101 W CB -0.122 29.387 29.460 0.082 0.000 1.124 101 W HN 0.254 nan 8.180 nan 0.000 0.694 102 N N 0.283 119.105 118.700 0.204 0.000 2.021 102 N HA -0.161 4.579 4.740 -0.000 0.000 0.198 102 N C 1.637 177.243 175.510 0.159 0.000 1.041 102 N CA 1.894 55.037 53.050 0.156 0.000 0.862 102 N CB -0.595 37.947 38.487 0.091 0.000 1.048 102 N HN 0.192 nan 8.380 nan 0.000 0.427 103 G N 0.196 109.075 108.800 0.133 0.000 3.609 103 G HA2 0.317 4.277 3.960 -0.000 0.000 0.280 103 G HA3 0.317 4.277 3.960 -0.000 0.000 0.280 103 G C 0.184 175.222 174.900 0.230 0.000 1.155 103 G CA -0.345 44.851 45.100 0.161 0.000 0.876 103 G HN 0.175 nan 8.290 nan 0.000 0.535 104 I N 2.776 123.510 120.570 0.272 0.000 2.297 104 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 104 I C 0.850 177.257 176.117 0.483 0.000 1.033 104 I CA -0.476 61.058 61.300 0.390 0.000 1.253 104 I CB 1.174 39.352 38.000 0.297 0.000 1.396 104 I HN 0.090 nan 8.210 nan 0.000 0.476 105 T N 2.908 117.805 114.554 0.572 0.000 2.884 105 T HA 0.433 4.783 4.350 -0.000 0.000 0.277 105 T C 1.250 176.085 174.700 0.225 0.000 0.976 105 T CA -0.834 61.436 62.100 0.282 0.000 0.956 105 T CB 1.451 70.374 68.868 0.092 0.000 1.113 105 T HN 0.409 nan 8.240 nan 0.000 0.554 106 L N 0.191 121.527 121.223 0.188 0.000 2.131 106 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 106 L C 2.556 179.437 176.870 0.018 0.000 1.092 106 L CA 0.934 55.898 54.840 0.205 0.000 0.759 106 L CB -0.756 41.454 42.059 0.252 0.000 0.903 106 L HN 0.619 nan 8.230 nan 0.000 0.435 107 L N -0.607 120.556 121.223 -0.099 0.000 2.012 107 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 107 L C 2.708 179.500 176.870 -0.129 0.000 1.073 107 L CA 1.898 56.599 54.840 -0.232 0.000 0.748 107 L CB -0.764 41.151 42.059 -0.240 0.000 0.891 107 L HN 0.248 nan 8.230 nan 0.000 0.431 108 H N -0.297 118.835 119.070 0.103 0.000 2.353 108 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 108 H C 2.413 177.751 175.328 0.016 0.000 1.090 108 H CA 1.980 58.088 56.048 0.100 0.000 1.327 108 H CB -0.464 29.376 29.762 0.130 0.000 1.383 108 H HN 0.381 nan 8.280 nan 0.000 0.508 109 L N 0.161 121.476 121.223 0.153 0.000 2.046 109 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 109 L C 2.796 179.598 176.870 -0.113 0.000 1.077 109 L CA 1.020 55.919 54.840 0.099 0.000 0.747 109 L CB -0.484 41.700 42.059 0.208 0.000 0.896 109 L HN 0.223 nan 8.230 nan 0.000 0.432 110 A N -0.462 122.116 122.820 -0.403 0.000 2.014 110 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 110 A C 2.055 179.226 177.584 -0.688 0.000 1.163 110 A CA 1.847 53.398 52.037 -0.810 0.000 0.652 110 A CB -0.568 17.557 19.000 -1.458 0.000 0.808 110 A HN 0.507 nan 8.150 nan 0.000 0.449 111 T N -6.102 108.174 114.554 -0.463 0.000 3.129 111 T HA 0.311 4.661 4.350 -0.000 0.000 0.267 111 T C 0.300 174.821 174.700 -0.297 0.000 1.018 111 T CA 0.257 62.123 62.100 -0.390 0.000 0.903 111 T CB -0.804 68.126 68.868 0.103 0.000 1.067 111 T HN 0.688 nan 8.240 nan 0.000 0.549 112 Y N 0.935 121.229 120.300 -0.011 0.000 4.272 112 Y HA -0.274 4.276 4.550 0.000 0.000 0.232 112 Y C 1.068 176.935 175.900 -0.055 0.000 1.149 112 Y CA 0.519 58.610 58.100 -0.014 0.000 1.961 112 Y CB -2.975 35.493 38.460 0.013 0.000 1.611 112 Y HN 0.577 nan 8.280 nan 0.000 0.682 113 T N -3.938 110.624 114.554 0.014 0.000 3.248 113 T HA 0.684 5.034 4.350 -0.000 0.000 0.271 113 T C 1.192 175.882 174.700 -0.016 0.000 1.005 113 T CA 0.104 62.131 62.100 -0.122 0.000 0.902 113 T CB 0.863 69.428 68.868 -0.506 0.000 1.102 113 T HN 0.489 nan 8.240 nan 0.000 0.548 114 A N 1.022 123.884 122.820 0.069 0.000 2.167 114 A HA 0.623 4.943 4.320 -0.000 0.000 0.214 114 A C 1.837 179.506 177.584 0.141 0.000 1.151 114 A CA 0.379 52.440 52.037 0.039 0.000 0.735 114 A CB -0.703 18.314 19.000 0.028 0.000 0.802 114 A HN 1.450 nan 8.150 nan 0.000 0.467 115 G N -2.763 106.185 108.800 0.246 0.000 2.186 115 G HA2 0.368 4.328 3.960 -0.000 0.000 0.130 115 G HA3 0.368 4.328 3.960 -0.000 0.000 0.130 115 G C 1.021 176.277 174.900 0.594 0.000 1.031 115 G CA 0.344 45.692 45.100 0.414 0.000 0.697 115 G HN 1.982 nan 8.290 nan 0.000 0.494 116 G N -1.055 108.104 108.800 0.599 0.000 2.141 116 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.195 116 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.195 116 G C 0.446 175.635 174.900 0.482 0.000 1.012 116 G CA 0.071 45.498 45.100 0.546 0.000 0.696 116 G HN 1.268 nan 8.290 nan 0.000 0.508 117 L N 1.861 123.198 121.223 0.190 0.000 2.483 117 L HA 0.281 4.621 4.340 -0.000 0.000 0.276 117 L C -0.907 176.023 176.870 0.100 0.000 1.213 117 L CA -1.315 53.409 54.840 -0.194 0.000 0.843 117 L CB 0.417 42.270 42.059 -0.344 0.000 1.107 117 L HN 0.073 nan 8.230 nan 0.000 0.487 118 P HA -0.043 nan 4.420 nan 0.000 0.271 118 P C 0.486 177.856 177.300 0.116 0.000 1.218 118 P CA -0.417 62.788 63.100 0.176 0.000 0.780 118 P CB 0.938 32.783 31.700 0.241 0.000 0.901 119 L N 1.819 123.097 121.223 0.092 0.000 2.081 119 L HA -0.125 4.214 4.340 -0.000 0.000 0.212 119 L C 0.896 177.788 176.870 0.035 0.000 1.080 119 L CA 1.996 56.865 54.840 0.047 0.000 0.754 119 L CB -0.568 41.534 42.059 0.071 0.000 0.893 119 L HN 0.447 nan 8.230 nan 0.000 0.433 120 Q N -1.023 118.802 119.800 0.042 0.000 2.365 120 Q HA 0.467 4.807 4.340 -0.000 0.000 0.269 120 Q C -1.346 174.615 176.000 -0.064 0.000 1.061 120 Q CA -0.850 54.957 55.803 0.006 0.000 0.816 120 Q CB 2.606 31.343 28.738 -0.002 0.000 1.325 120 Q HN -0.026 nan 8.270 nan 0.000 0.446 121 V N 4.631 124.457 119.914 -0.147 0.000 2.432 121 V HA 0.211 4.331 4.120 -0.000 0.000 0.271 121 V C -2.097 173.789 176.094 -0.346 0.000 1.046 121 V CA -1.511 60.522 62.300 -0.446 0.000 0.945 121 V CB 0.710 32.308 31.823 -0.375 0.000 0.992 121 V HN 0.719 nan 8.190 nan 0.000 0.471 122 P HA -0.005 nan 4.420 nan 0.000 0.263 122 P C 0.341 177.553 177.300 -0.147 0.000 1.175 122 P CA 0.156 63.139 63.100 -0.197 0.000 0.761 122 P CB 0.476 32.086 31.700 -0.149 0.000 0.794 123 D N 1.848 122.205 120.400 -0.071 0.000 2.228 123 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 123 D C 1.334 177.613 176.300 -0.034 0.000 0.988 123 D CA 1.371 55.348 54.000 -0.038 0.000 0.864 123 D CB -0.070 40.723 40.800 -0.011 0.000 0.928 123 D HN 0.515 nan 8.370 nan 0.000 0.469 124 E N -0.429 119.748 120.200 -0.038 0.000 2.274 124 E HA 0.000 4.350 4.350 -0.000 0.000 0.194 124 E C 0.283 176.867 176.600 -0.026 0.000 0.996 124 E CA 0.105 56.493 56.400 -0.020 0.000 0.840 124 E CB 0.302 30.000 29.700 -0.004 0.000 0.772 124 E HN 0.037 nan 8.360 nan 0.000 0.491 125 V N 2.000 121.872 119.914 -0.069 0.000 2.446 125 V HA 0.009 4.129 4.120 -0.000 0.000 0.276 125 V C 0.784 176.853 176.094 -0.041 0.000 1.030 125 V CA 0.650 62.910 62.300 -0.066 0.000 1.033 125 V CB 0.895 32.612 31.823 -0.176 0.000 0.993 125 V HN 0.182 nan 8.190 nan 0.000 0.477 126 K N 2.391 122.787 120.400 -0.007 0.000 2.509 126 K HA 0.173 4.493 4.320 -0.000 0.000 0.205 126 K C 1.134 177.742 176.600 0.013 0.000 1.336 126 K CA 0.089 56.376 56.287 -0.000 0.000 0.912 126 K CB 0.217 32.719 32.500 0.005 0.000 1.568 126 K HN 0.557 nan 8.250 nan 0.000 0.475 127 S N 0.544 116.260 115.700 0.026 0.000 2.598 127 S HA 0.015 4.485 4.470 -0.000 0.000 0.256 127 S C 1.111 175.744 174.600 0.055 0.000 1.350 127 S CA -0.156 58.066 58.200 0.036 0.000 0.984 127 S CB 0.919 64.145 63.200 0.043 0.000 0.930 127 S HN 0.214 nan 8.310 nan 0.000 0.577 128 S N 1.519 117.255 115.700 0.060 0.000 2.406 128 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 128 S C 2.150 176.845 174.600 0.157 0.000 1.020 128 S CA 1.105 59.358 58.200 0.089 0.000 0.965 128 S CB -0.447 62.791 63.200 0.064 0.000 0.798 128 S HN 0.677 nan 8.310 nan 0.000 0.488 129 S N 2.053 117.825 115.700 0.121 0.000 2.356 129 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 129 S C 1.533 176.216 174.600 0.137 0.000 1.032 129 S CA 1.223 59.497 58.200 0.124 0.000 1.005 129 S CB -0.469 62.781 63.200 0.083 0.000 0.867 129 S HN 0.457 nan 8.310 nan 0.000 0.449 130 D N 1.150 121.619 120.400 0.115 0.000 2.123 130 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 130 D C 1.895 178.299 176.300 0.172 0.000 0.992 130 D CA 0.644 54.712 54.000 0.113 0.000 0.833 130 D CB -0.418 40.421 40.800 0.064 0.000 0.954 130 D HN 0.173 nan 8.370 nan 0.000 0.455 131 L N 0.566 121.912 121.223 0.205 0.000 2.017 131 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 131 L C 2.218 179.402 176.870 0.524 0.000 1.073 131 L CA 1.179 56.219 54.840 0.334 0.000 0.745 131 L CB -0.711 41.550 42.059 0.338 0.000 0.894 131 L HN 0.027 nan 8.230 nan 0.000 0.432 132 L N -0.459 121.045 121.223 0.467 0.000 2.017 132 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 132 L C 2.699 179.650 176.870 0.135 0.000 1.073 132 L CA 1.865 56.875 54.840 0.284 0.000 0.745 132 L CB -0.681 41.502 42.059 0.207 0.000 0.894 132 L HN 0.276 nan 8.230 nan 0.000 0.432 133 R N -1.421 119.172 120.500 0.155 0.000 2.091 133 R HA -0.241 4.099 4.340 -0.000 0.000 0.238 133 R C 2.341 178.732 176.300 0.153 0.000 1.136 133 R CA 1.971 58.143 56.100 0.120 0.000 0.959 133 R CB -0.583 29.787 30.300 0.116 0.000 0.856 133 R HN 0.496 nan 8.270 nan 0.000 0.437 134 F N 0.158 120.138 119.950 0.050 0.000 2.075 134 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 134 F C 1.480 177.315 175.800 0.059 0.000 1.113 134 F CA 1.501 59.499 58.000 -0.004 0.000 1.218 134 F CB -0.567 38.352 39.000 -0.136 0.000 0.984 134 F HN -0.003 nan 8.300 nan 0.000 0.472 135 Y N 0.617 120.930 120.300 0.023 0.000 2.242 135 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 135 Y C 2.638 178.658 175.900 0.200 0.000 1.137 135 Y CA 1.503 59.617 58.100 0.024 0.000 1.181 135 Y CB -0.906 37.526 38.460 -0.045 0.000 0.989 135 Y HN 0.154 nan 8.280 nan 0.000 0.527 136 Q N 0.028 119.924 119.800 0.160 0.000 2.167 136 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 136 Q C 1.352 177.455 176.000 0.172 0.000 0.970 136 Q CA 1.404 57.287 55.803 0.134 0.000 0.855 136 Q CB -0.476 28.265 28.738 0.006 0.000 0.911 136 Q HN 0.659 nan 8.270 nan 0.000 0.438 137 N N -0.970 117.795 118.700 0.108 0.000 2.422 137 N HA -0.051 4.689 4.740 -0.000 0.000 0.181 137 N C -0.085 175.445 175.510 0.033 0.000 1.080 137 N CA -0.397 52.684 53.050 0.051 0.000 0.893 137 N CB 0.140 38.646 38.487 0.031 0.000 0.973 137 N HN 0.157 nan 8.380 nan 0.000 0.456 138 W N 2.786 124.001 121.300 -0.141 0.000 2.264 138 W HA 0.035 4.695 4.660 -0.000 0.000 0.331 138 W C -0.456 175.966 176.519 -0.161 0.000 1.364 138 W CA 0.130 57.353 57.345 -0.205 0.000 1.253 138 W CB 0.492 29.811 29.460 -0.236 0.000 1.215 138 W HN -0.067 nan 8.180 nan 0.000 0.561 139 Q N 8.060 127.308 119.800 -0.920 0.000 2.333 139 Q HA 0.345 4.685 4.340 -0.000 0.000 0.265 139 Q C -2.055 173.036 176.000 -1.515 0.000 0.989 139 Q CA -2.297 52.922 55.803 -0.974 0.000 0.842 139 Q CB 1.198 29.626 28.738 -0.517 0.000 1.262 139 Q HN 0.317 nan 8.270 nan 0.000 0.451 140 P HA 0.099 nan 4.420 nan 0.000 0.269 140 P C -0.274 176.601 177.300 -0.709 0.000 1.215 140 P CA 0.032 62.364 63.100 -1.281 0.000 0.780 140 P CB 0.868 32.030 31.700 -0.897 0.000 0.898 141 A N 1.716 124.169 122.820 -0.612 0.000 2.095 141 A HA 0.166 4.486 4.320 -0.000 0.000 0.212 141 A C 0.162 177.081 177.584 -1.108 0.000 1.162 141 A CA 0.605 52.059 52.037 -0.971 0.000 0.753 141 A CB -0.115 17.995 19.000 -1.483 0.000 0.840 141 A HN 0.549 nan 8.150 nan 0.000 0.468 142 W N -2.479 118.771 121.300 -0.083 0.000 3.062 142 W HA 0.636 5.296 4.660 -0.000 0.000 0.336 142 W C -0.115 176.349 176.519 -0.091 0.000 1.224 142 W CA -1.277 56.024 57.345 -0.073 0.000 1.159 142 W CB 1.074 30.508 29.460 -0.044 0.000 1.454 142 W HN 0.125 nan 8.180 nan 0.000 0.569 143 A N 3.405 126.320 122.820 0.158 0.000 2.445 143 A HA 0.478 4.798 4.320 -0.000 0.000 0.242 143 A C -1.999 175.600 177.584 0.025 0.000 1.075 143 A CA -0.812 51.251 52.037 0.044 0.000 0.777 143 A CB -0.712 18.312 19.000 0.040 0.000 1.013 143 A HN 0.142 nan 8.150 nan 0.000 0.493 144 P HA 0.193 nan 4.420 nan 0.000 0.267 144 P C 0.807 177.998 177.300 -0.182 0.000 1.200 144 P CA 1.483 64.438 63.100 -0.243 0.000 0.772 144 P CB 0.512 31.904 31.700 -0.514 0.000 0.855 145 G N 1.526 110.210 108.800 -0.193 0.000 2.143 145 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 145 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 145 G C 0.629 175.453 174.900 -0.127 0.000 0.991 145 G CA 0.744 45.821 45.100 -0.039 0.000 0.689 145 G HN 0.733 nan 8.290 nan 0.000 0.522 146 T N -4.534 109.929 114.554 -0.152 0.000 2.987 146 T HA 0.445 4.795 4.350 -0.000 0.000 0.248 146 T C 0.611 175.154 174.700 -0.262 0.000 0.997 146 T CA 0.819 62.839 62.100 -0.135 0.000 1.013 146 T CB 0.618 69.451 68.868 -0.058 0.000 1.077 146 T HN 0.317 nan 8.240 nan 0.000 0.483 147 Q N 0.899 120.502 119.800 -0.327 0.000 2.397 147 Q HA 0.487 4.827 4.340 -0.000 0.000 0.275 147 Q C -1.312 174.495 176.000 -0.321 0.000 1.090 147 Q CA -0.609 54.930 55.803 -0.440 0.000 0.809 147 Q CB 3.144 31.341 28.738 -0.901 0.000 1.362 147 Q HN 0.367 nan 8.270 nan 0.000 0.431 148 R N 1.992 122.334 120.500 -0.264 0.000 2.294 148 R HA 0.544 4.884 4.340 -0.000 0.000 0.319 148 R C -1.264 175.006 176.300 -0.051 0.000 0.984 148 R CA -0.595 55.434 56.100 -0.118 0.000 0.861 148 R CB 0.554 30.818 30.300 -0.059 0.000 1.104 148 R HN 0.466 nan 8.270 nan 0.000 0.451 149 L N 6.053 127.308 121.223 0.054 0.000 2.442 149 L HA 0.252 4.592 4.340 -0.000 0.000 0.261 149 L C -1.388 175.496 176.870 0.024 0.000 1.000 149 L CA -0.684 54.204 54.840 0.080 0.000 0.882 149 L CB 0.871 43.053 42.059 0.205 0.000 1.207 149 L HN 0.651 nan 8.230 nan 0.000 0.443 150 Y N 4.618 124.757 120.300 -0.269 0.000 2.916 150 Y HA 0.268 4.818 4.550 -0.000 0.000 0.344 150 Y C 0.149 175.831 175.900 -0.362 0.000 1.282 150 Y CA 1.119 58.831 58.100 -0.647 0.000 1.604 150 Y CB 0.250 38.446 38.460 -0.441 0.000 1.207 150 Y HN 0.839 nan 8.280 nan 0.000 0.561 151 A N 5.551 127.916 122.820 -0.757 0.000 2.540 151 A HA 0.312 4.632 4.320 -0.000 0.000 0.297 151 A C -0.086 177.402 177.584 -0.160 0.000 1.056 151 A CA -0.915 50.946 52.037 -0.294 0.000 0.700 151 A CB 0.971 19.962 19.000 -0.015 0.000 1.280 151 A HN 0.747 nan 8.150 nan 0.000 0.398 152 N N 1.017 119.662 118.700 -0.091 0.000 2.188 152 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 152 N C 2.030 177.601 175.510 0.101 0.000 1.018 152 N CA 1.930 55.001 53.050 0.035 0.000 0.858 152 N CB -0.166 38.393 38.487 0.121 0.000 0.989 152 N HN 0.844 nan 8.380 nan 0.000 0.426 153 S N -0.810 114.964 115.700 0.123 0.000 2.474 153 S HA 0.011 4.481 4.470 -0.000 0.000 0.235 153 S C 2.031 176.807 174.600 0.293 0.000 0.997 153 S CA 1.070 59.410 58.200 0.235 0.000 0.949 153 S CB -0.068 63.280 63.200 0.248 0.000 0.766 153 S HN 0.193 nan 8.310 nan 0.000 0.517 154 S N 1.127 116.948 115.700 0.203 0.000 2.324 154 S HA 0.241 4.711 4.470 -0.000 0.000 0.210 154 S C 1.649 176.348 174.600 0.165 0.000 1.027 154 S CA 0.463 58.778 58.200 0.191 0.000 0.945 154 S CB -0.599 62.730 63.200 0.216 0.000 0.908 154 S HN 0.549 nan 8.310 nan 0.000 0.496 155 I N 1.406 122.070 120.570 0.157 0.000 2.361 155 I HA -0.058 4.112 4.170 -0.000 0.000 0.251 155 I C 2.133 178.331 176.117 0.135 0.000 1.133 155 I CA 1.402 62.772 61.300 0.117 0.000 1.413 155 I CB -0.563 37.496 38.000 0.098 0.000 1.073 155 I HN 0.475 nan 8.210 nan 0.000 0.424 156 G N 0.700 109.550 108.800 0.082 0.000 2.418 156 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 156 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 156 G C 1.544 176.412 174.900 -0.052 0.000 1.158 156 G CA 0.880 45.966 45.100 -0.024 0.000 0.771 156 G HN 0.389 nan 8.290 nan 0.000 0.545 157 L N -0.271 120.974 121.223 0.038 0.000 2.093 157 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 157 L C 2.388 179.231 176.870 -0.045 0.000 1.085 157 L CA 1.335 56.143 54.840 -0.053 0.000 0.755 157 L CB -0.678 41.318 42.059 -0.105 0.000 0.904 157 L HN 0.229 nan 8.230 nan 0.000 0.435 158 F N 0.337 120.236 119.950 -0.085 0.000 2.095 158 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 158 F C 2.187 177.929 175.800 -0.097 0.000 1.104 158 F CA 1.696 59.645 58.000 -0.086 0.000 1.232 158 F CB -1.045 37.912 39.000 -0.073 0.000 0.987 158 F HN 0.111 nan 8.300 nan 0.000 0.475 159 G N -0.092 108.589 108.800 -0.198 0.000 2.459 159 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 159 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 159 G C 1.846 176.595 174.900 -0.251 0.000 1.183 159 G CA 1.137 46.094 45.100 -0.238 0.000 0.776 159 G HN 0.656 nan 8.290 nan 0.000 0.552 160 A N 0.294 122.926 122.820 -0.313 0.000 1.972 160 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 160 A C 2.418 179.836 177.584 -0.277 0.000 1.169 160 A CA 1.404 53.273 52.037 -0.281 0.000 0.635 160 A CB -0.299 18.500 19.000 -0.335 0.000 0.810 160 A HN 0.387 nan 8.150 nan 0.000 0.446 161 L N -1.396 119.637 121.223 -0.316 0.000 2.209 161 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 161 L C 2.938 179.563 176.870 -0.408 0.000 1.094 161 L CA 0.660 55.321 54.840 -0.297 0.000 0.790 161 L CB -0.562 41.372 42.059 -0.209 0.000 0.932 161 L HN 0.367 nan 8.230 nan 0.000 0.447 162 A N 0.714 123.212 122.820 -0.537 0.000 1.978 162 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 162 A C 2.123 179.499 177.584 -0.348 0.000 1.170 162 A CA 1.957 53.646 52.037 -0.580 0.000 0.636 162 A CB -0.765 17.742 19.000 -0.821 0.000 0.810 162 A HN 0.334 nan 8.150 nan 0.000 0.448 163 V N -3.894 115.877 119.914 -0.239 0.000 3.623 163 V HA 0.085 4.205 4.120 -0.000 0.000 0.271 163 V C 1.631 177.650 176.094 -0.126 0.000 1.248 163 V CA 0.790 62.993 62.300 -0.161 0.000 1.156 163 V CB -0.464 31.292 31.823 -0.111 0.000 0.870 163 V HN 0.209 nan 8.190 nan 0.000 0.453 164 K N 1.805 122.126 120.400 -0.133 0.000 2.002 164 K HA -0.021 4.299 4.320 -0.000 0.000 0.209 164 K C 0.256 176.844 176.600 -0.019 0.000 1.048 164 K CA 2.025 58.274 56.287 -0.063 0.000 0.930 164 K CB -1.885 30.613 32.500 -0.003 0.000 0.714 164 K HN 0.480 nan 8.250 nan 0.000 0.438 165 P HA -0.113 nan 4.420 nan 0.000 0.216 165 P C 1.403 178.695 177.300 -0.013 0.000 1.150 165 P CA 1.580 64.695 63.100 0.025 0.000 0.837 165 P CB -0.132 31.601 31.700 0.054 0.000 0.786 166 S N -1.314 114.359 115.700 -0.044 0.000 2.474 166 S HA 0.028 4.498 4.470 -0.000 0.000 0.235 166 S C 1.906 176.477 174.600 -0.050 0.000 0.997 166 S CA 1.061 59.229 58.200 -0.053 0.000 0.949 166 S CB -1.624 61.527 63.200 -0.081 0.000 0.766 166 S HN 0.327 nan 8.310 nan 0.000 0.517 167 G N 0.571 109.343 108.800 -0.046 0.000 2.189 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G C 0.008 174.877 174.900 -0.053 0.000 0.975 167 G CA 0.658 45.732 45.100 -0.042 0.000 0.644 167 G HN 0.601 nan 8.290 nan 0.000 0.537 168 L N 1.363 122.544 121.223 -0.069 0.000 2.399 168 L HA 0.622 4.962 4.340 -0.000 0.000 0.265 168 L C 1.418 178.240 176.870 -0.079 0.000 1.089 168 L CA -0.319 54.473 54.840 -0.079 0.000 0.802 168 L CB 1.398 43.395 42.059 -0.105 0.000 1.180 168 L HN 0.360 nan 8.230 nan 0.000 0.454 169 S N 0.202 115.860 115.700 -0.070 0.000 2.600 169 S HA 0.070 4.540 4.470 -0.000 0.000 0.265 169 S C 0.868 175.436 174.600 -0.054 0.000 1.325 169 S CA -0.388 57.785 58.200 -0.044 0.000 1.002 169 S CB 0.499 63.681 63.200 -0.030 0.000 0.921 169 S HN 0.549 nan 8.310 nan 0.000 0.554 170 F N 1.387 121.249 119.950 -0.145 0.000 2.091 170 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 170 F C 2.476 178.169 175.800 -0.178 0.000 1.103 170 F CA 2.352 60.250 58.000 -0.170 0.000 1.228 170 F CB -0.533 38.366 39.000 -0.170 0.000 0.984 170 F HN 0.949 nan 8.300 nan 0.000 0.477 171 E N -0.105 120.038 120.200 -0.096 0.000 2.051 171 E HA -0.329 4.021 4.350 -0.000 0.000 0.192 171 E C 2.289 178.735 176.600 -0.257 0.000 0.991 171 E CA 1.583 57.882 56.400 -0.170 0.000 0.799 171 E CB -0.485 29.211 29.700 -0.008 0.000 0.748 171 E HN 0.720 nan 8.360 nan 0.000 0.449 172 Q N 0.052 119.743 119.800 -0.182 0.000 2.167 172 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 172 Q C 2.050 177.903 176.000 -0.246 0.000 0.970 172 Q CA 1.359 57.058 55.803 -0.172 0.000 0.855 172 Q CB -0.218 28.458 28.738 -0.104 0.000 0.911 172 Q HN 0.285 nan 8.270 nan 0.000 0.438 173 A N 0.933 123.572 122.820 -0.301 0.000 1.930 173 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 173 A C 2.069 179.382 177.584 -0.450 0.000 1.175 173 A CA 1.535 53.376 52.037 -0.327 0.000 0.627 173 A CB -0.531 18.271 19.000 -0.330 0.000 0.815 173 A HN 0.526 nan 8.150 nan 0.000 0.443 174 M N -0.293 118.910 119.600 -0.662 0.000 2.099 174 M HA -0.146 4.333 4.480 -0.000 0.000 0.262 174 M C 2.152 177.886 176.300 -0.945 0.000 1.067 174 M CA 1.726 56.491 55.300 -0.892 0.000 1.124 174 M CB -0.463 31.449 32.600 -1.147 0.000 1.353 174 M HN 0.451 nan 8.290 nan 0.000 0.410 175 Q N -0.755 118.645 119.800 -0.667 0.000 2.020 175 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 175 Q C 2.099 177.945 176.000 -0.256 0.000 0.982 175 Q CA 2.432 57.998 55.803 -0.395 0.000 0.838 175 Q CB -1.130 27.490 28.738 -0.196 0.000 0.899 175 Q HN 0.758 nan 8.270 nan 0.000 0.423 176 T N -1.417 113.001 114.554 -0.228 0.000 2.857 176 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 176 T C 1.887 176.500 174.700 -0.145 0.000 1.048 176 T CA 0.877 62.885 62.100 -0.153 0.000 1.139 176 T CB -0.072 68.719 68.868 -0.129 0.000 0.874 176 T HN 0.100 nan 8.240 nan 0.000 0.455 177 R N -0.029 120.354 120.500 -0.195 0.000 2.210 177 R HA 0.332 4.672 4.340 -0.000 0.000 0.203 177 R C 1.880 178.114 176.300 -0.111 0.000 1.010 177 R CA 0.428 56.441 56.100 -0.145 0.000 1.008 177 R CB 0.224 30.429 30.300 -0.159 0.000 0.923 177 R HN 0.337 nan 8.270 nan 0.000 0.469 178 V N -1.552 118.254 119.914 -0.179 0.000 3.054 178 V HA 0.045 4.165 4.120 -0.000 0.000 0.227 178 V C 1.324 177.478 176.094 0.099 0.000 1.252 178 V CA 0.373 62.645 62.300 -0.047 0.000 1.279 178 V CB -0.397 31.362 31.823 -0.107 0.000 1.118 178 V HN -0.019 nan 8.190 nan 0.000 0.504 179 F N 1.731 121.607 119.950 -0.123 0.000 2.069 179 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 179 F C 2.653 178.366 175.800 -0.145 0.000 1.113 179 F CA 1.500 59.393 58.000 -0.179 0.000 1.214 179 F CB -1.308 37.483 39.000 -0.349 0.000 0.978 179 F HN 0.207 nan 8.300 nan 0.000 0.474 180 Q N -0.051 119.777 119.800 0.046 0.000 1.993 180 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 180 Q C -0.221 175.781 176.000 0.004 0.000 0.984 180 Q CA 1.767 57.561 55.803 -0.016 0.000 0.837 180 Q CB -1.758 26.950 28.738 -0.050 0.000 0.902 180 Q HN 0.279 nan 8.270 nan 0.000 0.423 181 P HA -0.158 nan 4.420 nan 0.000 0.218 181 P C 0.852 178.180 177.300 0.046 0.000 1.146 181 P CA 1.282 64.394 63.100 0.021 0.000 0.813 181 P CB -0.013 31.699 31.700 0.020 0.000 0.778 182 L N -2.245 119.030 121.223 0.086 0.000 2.607 182 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 182 L C 0.462 177.378 176.870 0.077 0.000 1.123 182 L CA 0.049 54.957 54.840 0.114 0.000 0.890 182 L CB -0.453 41.743 42.059 0.228 0.000 1.103 182 L HN -0.112 nan 8.230 nan 0.000 0.468 183 K N 0.688 121.109 120.400 0.035 0.000 3.117 183 K HA -0.157 4.163 4.320 -0.000 0.000 0.269 183 K C -0.271 176.311 176.600 -0.030 0.000 1.098 183 K CA 0.345 56.628 56.287 -0.007 0.000 0.785 183 K CB -1.516 30.986 32.500 0.003 0.000 1.242 183 K HN 0.228 nan 8.250 nan 0.000 0.491 184 L N 1.152 122.342 121.223 -0.054 0.000 2.399 184 L HA 0.133 4.473 4.340 -0.000 0.000 0.257 184 L C 0.896 177.565 176.870 -0.335 0.000 1.236 184 L CA -0.530 54.217 54.840 -0.155 0.000 1.144 184 L CB 0.163 42.100 42.059 -0.203 0.000 1.379 184 L HN 0.190 nan 8.230 nan 0.000 0.414 185 N N 0.289 118.811 118.700 -0.297 0.000 2.571 185 N HA -0.070 4.670 4.740 -0.000 0.000 0.189 185 N C 0.644 175.658 175.510 -0.827 0.000 1.154 185 N CA 0.778 53.529 53.050 -0.499 0.000 0.907 185 N CB 0.087 38.325 38.487 -0.414 0.000 0.977 185 N HN 0.510 nan 8.380 nan 0.000 0.449 186 H N -1.149 117.749 119.070 -0.287 0.000 2.750 186 H HA 0.233 4.789 4.556 -0.000 0.000 0.239 186 H C -0.362 174.762 175.328 -0.339 0.000 1.210 186 H CA -0.136 55.805 56.048 -0.178 0.000 0.936 186 H CB 0.402 30.142 29.762 -0.036 0.000 2.074 186 H HN -0.117 nan 8.280 nan 0.000 0.622 187 T N 0.995 115.096 114.554 -0.754 0.000 2.792 187 T HA 0.353 4.703 4.350 -0.000 0.000 0.280 187 T C -0.568 173.408 174.700 -1.207 0.000 0.990 187 T CA -0.428 61.108 62.100 -0.940 0.000 0.960 187 T CB 1.327 69.387 68.868 -1.347 0.000 0.939 187 T HN 0.210 nan 8.240 nan 0.000 0.439 188 W N 1.565 122.552 121.300 -0.522 0.000 3.031 188 W HA 0.583 5.243 4.660 0.000 0.000 0.337 188 W C 0.547 176.931 176.519 -0.225 0.000 1.187 188 W CA -0.833 56.333 57.345 -0.298 0.000 1.166 188 W CB 1.154 30.457 29.460 -0.261 0.000 1.437 188 W HN 0.478 nan 8.180 nan 0.000 0.551 189 I N 0.978 121.657 120.570 0.182 0.000 2.810 189 I HA 0.049 4.218 4.170 -0.000 0.000 0.262 189 I C -0.021 176.113 176.117 0.029 0.000 1.131 189 I CA 0.533 61.875 61.300 0.070 0.000 1.453 189 I CB 0.029 38.088 38.000 0.099 0.000 1.161 189 I HN 0.321 nan 8.210 nan 0.000 0.444 190 N N 0.836 119.582 118.700 0.076 0.000 2.564 190 N HA 0.250 4.990 4.740 -0.000 0.000 0.248 190 N C -0.608 174.812 175.510 -0.151 0.000 0.986 190 N CA -0.239 52.793 53.050 -0.031 0.000 0.921 190 N CB 2.050 40.527 38.487 -0.017 0.000 1.136 190 N HN -0.037 nan 8.380 nan 0.000 0.509 191 V N 2.472 122.216 119.914 -0.285 0.000 2.655 191 V HA 0.447 4.567 4.120 -0.000 0.000 0.300 191 V C -2.045 173.708 176.094 -0.568 0.000 1.044 191 V CA -0.998 60.965 62.300 -0.560 0.000 1.095 191 V CB 0.393 31.884 31.823 -0.553 0.000 0.952 191 V HN 0.488 nan 8.190 nan 0.000 0.485 192 P HA 0.462 nan 4.420 nan 0.000 0.278 192 P C -2.427 174.657 177.300 -0.360 0.000 1.266 192 P CA -1.952 60.800 63.100 -0.579 0.000 0.807 192 P CB 0.647 31.892 31.700 -0.757 0.000 1.094 193 P HA -0.253 nan 4.420 nan 0.000 0.215 193 P C 1.504 178.724 177.300 -0.134 0.000 1.163 193 P CA 2.565 65.579 63.100 -0.144 0.000 0.894 193 P CB -0.657 30.979 31.700 -0.106 0.000 0.791 194 A N -0.301 122.433 122.820 -0.144 0.000 2.032 194 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 194 A C 1.986 179.514 177.584 -0.093 0.000 1.165 194 A CA 1.669 53.646 52.037 -0.099 0.000 0.645 194 A CB -0.884 18.069 19.000 -0.079 0.000 0.807 194 A HN 0.206 nan 8.150 nan 0.000 0.453 195 E N -0.936 119.165 120.200 -0.165 0.000 2.472 195 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 195 E C 1.377 177.920 176.600 -0.094 0.000 1.033 195 E CA 0.137 56.461 56.400 -0.127 0.000 0.886 195 E CB 0.003 29.576 29.700 -0.211 0.000 0.944 195 E HN 0.752 nan 8.360 nan 0.000 0.492 196 E N 1.482 121.627 120.200 -0.091 0.000 2.171 196 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 196 E C 1.931 178.520 176.600 -0.017 0.000 0.997 196 E CA 1.640 58.022 56.400 -0.031 0.000 0.810 196 E CB -0.043 29.633 29.700 -0.041 0.000 0.738 196 E HN 0.235 nan 8.360 nan 0.000 0.467 197 K N -0.192 120.195 120.400 -0.023 0.000 2.288 197 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 197 K C 1.099 177.693 176.600 -0.009 0.000 1.048 197 K CA 1.581 57.860 56.287 -0.014 0.000 0.956 197 K CB -0.007 32.488 32.500 -0.008 0.000 0.746 197 K HN 0.042 nan 8.250 nan 0.000 0.461 198 N N -0.331 118.364 118.700 -0.007 0.000 2.353 198 N HA -0.027 4.712 4.740 -0.000 0.000 0.185 198 N C -0.688 174.830 175.510 0.014 0.000 1.098 198 N CA -0.293 52.751 53.050 -0.010 0.000 0.872 198 N CB 0.158 38.627 38.487 -0.030 0.000 0.970 198 N HN 0.204 nan 8.380 nan 0.000 0.467 199 Y N 2.350 122.550 120.300 -0.165 0.000 2.584 199 Y HA 0.295 4.845 4.550 0.000 0.000 0.351 199 Y C 0.410 176.183 175.900 -0.212 0.000 1.030 199 Y CA -1.403 56.563 58.100 -0.222 0.000 1.332 199 Y CB 0.129 38.415 38.460 -0.290 0.000 1.148 199 Y HN 0.013 nan 8.280 nan 0.000 0.528 200 A N 6.154 129.007 122.820 0.055 0.000 2.448 200 A HA 0.009 4.329 4.320 -0.000 0.000 0.239 200 A C -1.041 176.555 177.584 0.021 0.000 1.080 200 A CA -0.173 51.862 52.037 -0.004 0.000 0.779 200 A CB 0.328 19.293 19.000 -0.059 0.000 1.026 200 A HN 0.955 nan 8.150 nan 0.000 0.499 201 W N -0.066 121.215 121.300 -0.031 0.000 2.376 201 W HA 0.503 5.163 4.660 0.000 0.000 0.322 201 W C 0.774 176.916 176.519 -0.630 0.000 1.160 201 W CA 0.009 57.129 57.345 -0.374 0.000 1.218 201 W CB 1.532 30.611 29.460 -0.636 0.000 1.205 201 W HN 0.928 nan 8.180 nan 0.000 0.559 202 G N 1.560 110.190 108.800 -0.282 0.000 2.425 202 G HA2 0.512 4.472 3.960 -0.000 0.000 0.302 202 G HA3 0.512 4.472 3.960 -0.000 0.000 0.302 202 G C -2.126 172.390 174.900 -0.640 0.000 1.159 202 G CA -0.465 44.194 45.100 -0.735 0.000 0.865 202 G HN 0.473 nan 8.290 nan 0.000 0.515 203 Y N 0.380 120.600 120.300 -0.132 0.000 2.338 203 Y HA 0.522 5.072 4.550 -0.000 0.000 0.333 203 Y C 0.465 176.354 175.900 -0.019 0.000 0.968 203 Y CA -0.881 57.189 58.100 -0.051 0.000 1.123 203 Y CB 2.188 40.626 38.460 -0.038 0.000 1.165 203 Y HN 0.465 nan 8.280 nan 0.000 0.452 204 R N 3.428 124.008 120.500 0.133 0.000 2.483 204 R HA 0.254 4.594 4.340 -0.000 0.000 0.303 204 R C -0.967 175.378 176.300 0.075 0.000 0.987 204 R CA -0.422 55.733 56.100 0.093 0.000 0.881 204 R CB 0.928 31.270 30.300 0.070 0.000 1.177 204 R HN 0.783 nan 8.270 nan 0.000 0.451 205 E N 2.915 123.152 120.200 0.062 0.000 2.246 205 E HA -0.217 4.133 4.350 -0.000 0.000 0.211 205 E C 0.669 177.288 176.600 0.032 0.000 1.278 205 E CA 1.239 57.661 56.400 0.037 0.000 0.694 205 E CB -1.593 28.122 29.700 0.026 0.000 1.166 205 E HN 1.177 nan 8.360 nan 0.000 0.370 206 G N -0.313 108.510 108.800 0.038 0.000 2.343 206 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.264 206 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.264 206 G C 0.471 175.405 174.900 0.057 0.000 0.989 206 G CA 1.491 46.597 45.100 0.011 0.000 0.627 206 G HN 0.403 nan 8.290 nan 0.000 0.549 207 K N 0.638 121.081 120.400 0.070 0.000 2.098 207 K HA 0.686 5.006 4.320 -0.000 0.000 0.261 207 K C 0.319 176.950 176.600 0.052 0.000 0.987 207 K CA -0.055 56.249 56.287 0.030 0.000 0.916 207 K CB 1.515 33.996 32.500 -0.032 0.000 1.039 207 K HN 0.400 nan 8.250 nan 0.000 0.455 208 A N 1.772 124.493 122.820 -0.165 0.000 2.289 208 A HA 0.503 4.823 4.320 -0.000 0.000 0.298 208 A C -0.308 177.026 177.584 -0.417 0.000 1.208 208 A CA -0.547 51.184 52.037 -0.510 0.000 0.845 208 A CB 0.103 18.500 19.000 -1.005 0.000 1.125 208 A HN 0.498 nan 8.150 nan 0.000 0.517 209 V N 0.585 120.406 119.914 -0.155 0.000 3.078 209 V HA 0.703 4.823 4.120 -0.000 0.000 0.311 209 V C -0.670 175.612 176.094 0.312 0.000 1.138 209 V CA -0.823 61.526 62.300 0.082 0.000 1.007 209 V CB 1.421 33.295 31.823 0.087 0.000 1.045 209 V HN 0.956 nan 8.190 nan 0.000 0.432 210 H N -0.256 119.001 119.070 0.312 0.000 2.768 210 H HA 0.646 5.202 4.556 0.000 0.000 0.371 210 H C -0.626 174.836 175.328 0.223 0.000 1.151 210 H CA -0.986 55.206 56.048 0.240 0.000 1.165 210 H CB 2.332 32.134 29.762 0.067 0.000 1.722 210 H HN 0.786 nan 8.280 nan 0.000 0.543 211 V N 2.273 122.402 119.914 0.359 0.000 2.814 211 V HA -0.076 4.044 4.120 -0.000 0.000 0.307 211 V C 0.102 176.333 176.094 0.228 0.000 1.089 211 V CA 0.769 63.227 62.300 0.264 0.000 1.212 211 V CB 1.095 33.073 31.823 0.258 0.000 0.912 211 V HN 0.710 nan 8.190 nan 0.000 0.497 212 S N 6.477 122.293 115.700 0.193 0.000 2.616 212 S HA 0.586 5.056 4.470 -0.000 0.000 0.277 212 S C -2.221 172.477 174.600 0.163 0.000 1.234 212 S CA -0.919 57.376 58.200 0.158 0.000 1.028 212 S CB 1.390 64.662 63.200 0.120 0.000 0.988 212 S HN 0.831 nan 8.310 nan 0.000 0.522 213 P HA 0.504 nan 4.420 nan 0.000 0.271 213 P C -0.266 177.090 177.300 0.094 0.000 1.233 213 P CA -0.214 62.939 63.100 0.087 0.000 0.789 213 P CB 0.404 32.135 31.700 0.052 0.000 0.951 214 G N -1.230 107.608 108.800 0.064 0.000 2.523 214 G HA2 0.530 4.490 3.960 -0.000 0.000 0.291 214 G HA3 0.530 4.490 3.960 -0.000 0.000 0.291 214 G C -1.619 173.278 174.900 -0.005 0.000 1.450 214 G CA -0.295 44.843 45.100 0.062 0.000 0.790 214 G HN 0.513 nan 8.290 nan 0.000 0.496 215 A N -0.019 122.788 122.820 -0.022 0.000 2.477 215 A HA 0.596 4.916 4.320 -0.000 0.000 0.246 215 A C 1.464 178.998 177.584 -0.084 0.000 1.078 215 A CA 0.475 52.477 52.037 -0.058 0.000 0.770 215 A CB -0.337 18.621 19.000 -0.070 0.000 1.011 215 A HN 1.803 nan 8.150 nan 0.000 0.494 216 L N 0.313 121.454 121.223 -0.137 0.000 4.179 216 L HA -0.332 4.008 4.340 -0.000 0.000 0.418 216 L C 1.169 177.825 176.870 -0.357 0.000 1.168 216 L CA 0.715 55.427 54.840 -0.214 0.000 0.972 216 L CB -1.857 40.137 42.059 -0.109 0.000 2.005 216 L HN 0.994 nan 8.230 nan 0.000 0.935 217 D N 0.383 120.530 120.400 -0.422 0.000 2.117 217 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 217 D C 1.983 177.811 176.300 -0.786 0.000 0.987 217 D CA 1.463 54.912 54.000 -0.919 0.000 0.829 217 D CB -0.127 40.358 40.800 -0.524 0.000 0.961 217 D HN 0.439 nan 8.370 nan 0.000 0.460 218 A N 0.685 123.242 122.820 -0.439 0.000 1.908 218 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 218 A C 2.097 179.461 177.584 -0.366 0.000 1.181 218 A CA 1.854 53.720 52.037 -0.286 0.000 0.627 218 A CB -0.659 18.253 19.000 -0.147 0.000 0.818 218 A HN 0.203 nan 8.150 nan 0.000 0.445 219 E N -0.623 119.168 120.200 -0.681 0.000 2.216 219 E HA 0.162 4.512 4.350 -0.000 0.000 0.192 219 E C 1.799 178.226 176.600 -0.288 0.000 0.988 219 E CA 1.109 57.026 56.400 -0.805 0.000 0.834 219 E CB -0.136 29.050 29.700 -0.857 0.000 0.772 219 E HN 0.594 nan 8.360 nan 0.000 0.479 220 A N -0.721 121.940 122.820 -0.264 0.000 2.259 220 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 220 A C 0.565 178.206 177.584 0.095 0.000 1.209 220 A CA 0.255 52.264 52.037 -0.046 0.000 0.910 220 A CB 0.094 19.122 19.000 0.046 0.000 0.946 220 A HN 0.378 nan 8.150 nan 0.000 0.497 221 Y N -4.802 115.513 120.300 0.025 0.000 3.159 221 Y HA 0.387 4.937 4.550 -0.000 0.000 0.294 221 Y C 0.890 176.809 175.900 0.032 0.000 1.027 221 Y CA -0.487 57.644 58.100 0.051 0.000 1.298 221 Y CB -0.525 37.973 38.460 0.063 0.000 1.336 221 Y HN -0.024 nan 8.280 nan 0.000 0.597 222 G N 0.969 109.696 108.800 -0.123 0.000 3.088 222 G HA2 0.333 4.293 3.960 -0.000 0.000 0.212 222 G HA3 0.333 4.293 3.960 -0.000 0.000 0.212 222 G C -0.086 174.788 174.900 -0.043 0.000 1.173 222 G CA 0.252 45.310 45.100 -0.071 0.000 0.779 222 G HN 0.121 nan 8.290 nan 0.000 0.540 223 V N 0.373 120.259 119.914 -0.046 0.000 2.546 223 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 223 V C -0.156 175.833 176.094 -0.175 0.000 1.050 223 V CA -0.464 61.749 62.300 -0.145 0.000 0.981 223 V CB 1.364 33.011 31.823 -0.294 0.000 0.990 223 V HN 0.126 nan 8.190 nan 0.000 0.474 224 K N 2.289 122.543 120.400 -0.244 0.000 2.316 224 K HA 0.817 5.137 4.320 -0.000 0.000 0.251 224 K C -0.450 176.007 176.600 -0.239 0.000 0.934 224 K CA -0.194 55.931 56.287 -0.269 0.000 0.802 224 K CB 2.082 34.298 32.500 -0.472 0.000 1.171 224 K HN 0.747 nan 8.250 nan 0.000 0.426 225 S N -0.151 115.478 115.700 -0.118 0.000 2.672 225 S HA 0.623 5.093 4.470 -0.000 0.000 0.271 225 S C -1.488 173.177 174.600 0.109 0.000 1.171 225 S CA -0.678 57.479 58.200 -0.072 0.000 0.817 225 S CB 1.010 64.132 63.200 -0.130 0.000 1.150 225 S HN 0.686 nan 8.310 nan 0.000 0.478 226 T N -0.138 114.487 114.554 0.117 0.000 2.950 226 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 226 T C 1.299 176.118 174.700 0.198 0.000 1.035 226 T CA -0.563 61.656 62.100 0.198 0.000 1.028 226 T CB 0.670 69.589 68.868 0.086 0.000 1.109 226 T HN 0.479 nan 8.240 nan 0.000 0.514 227 I N -0.129 120.577 120.570 0.227 0.000 2.567 227 I HA 0.019 4.189 4.170 -0.000 0.000 0.257 227 I C 2.188 178.466 176.117 0.268 0.000 1.184 227 I CA 0.934 62.385 61.300 0.251 0.000 1.451 227 I CB -1.228 36.965 38.000 0.322 0.000 1.089 227 I HN 0.722 nan 8.210 nan 0.000 0.441 228 E N 1.152 121.406 120.200 0.091 0.000 2.046 228 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 228 E C 1.625 178.325 176.600 0.166 0.000 0.982 228 E CA 1.369 57.812 56.400 0.072 0.000 0.800 228 E CB -0.173 29.463 29.700 -0.107 0.000 0.756 228 E HN 0.480 nan 8.360 nan 0.000 0.449 229 D N 0.300 120.776 120.400 0.127 0.000 2.117 229 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 229 D C 1.853 178.285 176.300 0.219 0.000 0.987 229 D CA 0.934 55.009 54.000 0.126 0.000 0.829 229 D CB -0.043 40.773 40.800 0.028 0.000 0.961 229 D HN 0.059 nan 8.370 nan 0.000 0.460 230 M N 0.316 120.062 119.600 0.242 0.000 2.213 230 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 230 M C 2.181 178.677 176.300 0.326 0.000 1.062 230 M CA 0.715 56.217 55.300 0.337 0.000 1.105 230 M CB -1.038 31.736 32.600 0.290 0.000 1.385 230 M HN -0.016 nan 8.290 nan 0.000 0.417 231 A N -0.057 122.926 122.820 0.271 0.000 1.930 231 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 231 A C 2.343 180.007 177.584 0.132 0.000 1.175 231 A CA 1.356 53.508 52.037 0.192 0.000 0.627 231 A CB -0.493 18.653 19.000 0.244 0.000 0.815 231 A HN 0.444 nan 8.150 nan 0.000 0.443 232 R N -1.626 118.981 120.500 0.178 0.000 2.075 232 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 232 R C 2.167 178.569 176.300 0.169 0.000 1.126 232 R CA 1.361 57.542 56.100 0.136 0.000 0.963 232 R CB -0.427 29.963 30.300 0.150 0.000 0.858 232 R HN 0.846 nan 8.270 nan 0.000 0.435 233 W N 1.076 122.409 121.300 0.055 0.000 2.321 233 W HA -0.239 4.421 4.660 0.000 0.000 0.306 233 W C 1.375 177.861 176.519 -0.056 0.000 1.217 233 W CA 1.353 58.727 57.345 0.049 0.000 1.257 233 W CB 0.039 29.579 29.460 0.134 0.000 1.145 233 W HN -0.075 nan 8.180 nan 0.000 0.509 234 V N 1.029 120.872 119.914 -0.118 0.000 2.548 234 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 234 V C 2.355 178.115 176.094 -0.557 0.000 1.055 234 V CA 1.956 63.980 62.300 -0.461 0.000 1.065 234 V CB -0.791 30.887 31.823 -0.241 0.000 0.681 234 V HN 0.231 nan 8.190 nan 0.000 0.462 235 Q N -0.043 119.575 119.800 -0.303 0.000 2.119 235 Q HA -0.148 4.192 4.340 -0.000 0.000 0.201 235 Q C 2.472 178.285 176.000 -0.311 0.000 0.972 235 Q CA 1.847 57.483 55.803 -0.279 0.000 0.847 235 Q CB -0.239 28.410 28.738 -0.149 0.000 0.903 235 Q HN 0.633 nan 8.270 nan 0.000 0.433 236 S N 1.208 116.740 115.700 -0.280 0.000 2.383 236 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 236 S C 1.535 175.894 174.600 -0.403 0.000 1.026 236 S CA 0.907 58.952 58.200 -0.259 0.000 0.981 236 S CB -0.176 62.934 63.200 -0.149 0.000 0.818 236 S HN 0.377 nan 8.310 nan 0.000 0.472 237 N N 1.047 119.351 118.700 -0.661 0.000 2.409 237 N HA 0.145 4.885 4.740 -0.000 0.000 0.179 237 N C 1.518 176.572 175.510 -0.760 0.000 1.032 237 N CA 0.475 53.064 53.050 -0.769 0.000 0.898 237 N CB -0.083 37.748 38.487 -1.093 0.000 0.971 237 N HN 0.343 nan 8.380 nan 0.000 0.441 238 L N 0.446 121.196 121.223 -0.789 0.000 2.131 238 L HA 0.010 4.350 4.340 -0.000 0.000 0.206 238 L C 0.436 177.113 176.870 -0.321 0.000 1.087 238 L CA 1.037 55.535 54.840 -0.571 0.000 0.767 238 L CB 0.176 41.928 42.059 -0.512 0.000 0.917 238 L HN -0.085 nan 8.230 nan 0.000 0.441 239 K N -0.222 120.007 120.400 -0.284 0.000 2.827 239 K HA 0.213 4.533 4.320 -0.000 0.000 0.186 239 K C -2.005 174.498 176.600 -0.162 0.000 1.093 239 K CA -1.169 55.005 56.287 -0.189 0.000 0.993 239 K CB 1.483 33.888 32.500 -0.158 0.000 1.199 239 K HN -0.131 nan 8.250 nan 0.000 0.598 240 P HA -0.105 nan 4.420 nan 0.000 0.223 240 P C 1.047 178.302 177.300 -0.077 0.000 1.151 240 P CA 0.744 63.775 63.100 -0.114 0.000 0.787 240 P CB 0.289 31.925 31.700 -0.105 0.000 0.788 241 L N -0.472 120.706 121.223 -0.074 0.000 2.376 241 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 241 L C 1.443 178.282 176.870 -0.051 0.000 1.133 241 L CA 1.043 55.850 54.840 -0.055 0.000 0.816 241 L CB -0.843 41.184 42.059 -0.054 0.000 0.933 241 L HN -0.105 nan 8.230 nan 0.000 0.449 242 D N 0.079 120.442 120.400 -0.061 0.000 2.349 242 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 242 D C 0.604 176.878 176.300 -0.042 0.000 1.029 242 D CA 0.506 54.474 54.000 -0.054 0.000 0.879 242 D CB 0.166 40.926 40.800 -0.066 0.000 0.906 242 D HN 0.211 nan 8.370 nan 0.000 0.528 243 I N 1.389 121.936 120.570 -0.040 0.000 2.325 243 I HA 0.053 4.223 4.170 -0.000 0.000 0.291 243 I C 1.293 177.400 176.117 -0.016 0.000 1.019 243 I CA -0.520 60.766 61.300 -0.024 0.000 1.302 243 I CB 1.218 39.206 38.000 -0.020 0.000 1.401 243 I HN -0.172 nan 8.210 nan 0.000 0.485 244 N N 4.666 123.359 118.700 -0.011 0.000 2.058 244 N HA -0.119 4.620 4.740 -0.000 0.000 0.191 244 N C 0.285 175.790 175.510 -0.007 0.000 1.037 244 N CA 1.117 54.161 53.050 -0.010 0.000 0.848 244 N CB -0.022 38.460 38.487 -0.009 0.000 1.021 244 N HN 0.561 nan 8.380 nan 0.000 0.422 245 E N 2.052 122.250 120.200 -0.003 0.000 2.406 245 E HA -0.024 4.326 4.350 -0.000 0.000 0.258 245 E C 0.832 177.431 176.600 -0.001 0.000 1.043 245 E CA 0.182 56.581 56.400 -0.002 0.000 0.929 245 E CB 0.713 30.414 29.700 0.002 0.000 0.969 245 E HN 0.285 nan 8.360 nan 0.000 0.462 246 K N 1.234 121.632 120.400 -0.004 0.000 2.032 246 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 246 K C 2.152 178.753 176.600 0.002 0.000 1.048 246 K CA 2.108 58.394 56.287 -0.003 0.000 0.927 246 K CB -0.205 32.293 32.500 -0.004 0.000 0.712 246 K HN 0.566 nan 8.250 nan 0.000 0.441 247 T N 0.231 114.787 114.554 0.003 0.000 2.867 247 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 247 T C 1.857 176.569 174.700 0.019 0.000 1.057 247 T CA 0.783 62.888 62.100 0.009 0.000 1.136 247 T CB -0.217 68.652 68.868 0.002 0.000 0.874 247 T HN 0.030 nan 8.240 nan 0.000 0.466 248 L N 1.199 122.434 121.223 0.020 0.000 2.109 248 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 248 L C 2.808 179.699 176.870 0.035 0.000 1.086 248 L CA 1.714 56.578 54.840 0.039 0.000 0.760 248 L CB -0.993 41.093 42.059 0.045 0.000 0.910 248 L HN 0.378 nan 8.230 nan 0.000 0.437 249 Q N -0.838 118.971 119.800 0.014 0.000 2.061 249 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 249 Q C 2.121 178.123 176.000 0.005 0.000 0.984 249 Q CA 2.205 58.007 55.803 -0.001 0.000 0.846 249 Q CB -0.132 28.599 28.738 -0.012 0.000 0.902 249 Q HN 0.665 nan 8.270 nan 0.000 0.421 250 Q N -0.726 119.083 119.800 0.014 0.000 2.167 250 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 250 Q C 2.002 178.030 176.000 0.045 0.000 0.970 250 Q CA 1.064 56.880 55.803 0.021 0.000 0.855 250 Q CB -0.133 28.617 28.738 0.020 0.000 0.911 250 Q HN 0.557 nan 8.270 nan 0.000 0.438 251 G N 0.948 109.782 108.800 0.057 0.000 2.402 251 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 251 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 251 G C 1.390 176.360 174.900 0.118 0.000 1.162 251 G CA 0.463 45.617 45.100 0.091 0.000 0.777 251 G HN 0.230 nan 8.290 nan 0.000 0.539 252 I N 0.374 120.998 120.570 0.090 0.000 2.361 252 I HA -0.209 3.960 4.170 -0.000 0.000 0.251 252 I C 3.016 179.177 176.117 0.073 0.000 1.133 252 I CA 1.076 62.427 61.300 0.086 0.000 1.413 252 I CB -0.108 37.886 38.000 -0.010 0.000 1.073 252 I HN 0.270 nan 8.210 nan 0.000 0.424 253 Q N 0.240 120.065 119.800 0.042 0.000 2.083 253 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 253 Q C 2.392 178.429 176.000 0.061 0.000 0.969 253 Q CA 1.168 56.985 55.803 0.022 0.000 0.838 253 Q CB -0.069 28.668 28.738 -0.002 0.000 0.900 253 Q HN 0.517 nan 8.270 nan 0.000 0.436 254 L N 0.351 121.634 121.223 0.101 0.000 2.083 254 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 254 L C 2.483 179.507 176.870 0.257 0.000 1.083 254 L CA 0.917 55.854 54.840 0.161 0.000 0.752 254 L CB -0.639 41.520 42.059 0.167 0.000 0.899 254 L HN 0.204 nan 8.230 nan 0.000 0.433 255 A N -0.552 122.420 122.820 0.254 0.000 2.019 255 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 255 A C 1.960 179.784 177.584 0.401 0.000 1.164 255 A CA 1.253 53.500 52.037 0.349 0.000 0.644 255 A CB -0.272 18.967 19.000 0.398 0.000 0.805 255 A HN 0.534 nan 8.150 nan 0.000 0.449 256 Q N 0.039 119.980 119.800 0.236 0.000 2.204 256 Q HA 0.225 4.565 4.340 -0.000 0.000 0.209 256 Q C -0.300 175.716 176.000 0.027 0.000 0.861 256 Q CA -0.341 55.536 55.803 0.124 0.000 0.971 256 Q CB 0.565 29.282 28.738 -0.035 0.000 1.095 256 Q HN 0.461 nan 8.270 nan 0.000 0.486 257 S N 0.844 116.541 115.700 -0.005 0.000 2.592 257 S HA 0.315 4.785 4.470 -0.000 0.000 0.271 257 S C 0.062 174.449 174.600 -0.355 0.000 1.326 257 S CA -0.447 57.601 58.200 -0.255 0.000 1.024 257 S CB 0.731 63.670 63.200 -0.436 0.000 0.921 257 S HN 0.215 nan 8.310 nan 0.000 0.527 258 R N 1.328 121.601 120.500 -0.378 0.000 2.205 258 R HA 0.269 4.609 4.340 -0.000 0.000 0.342 258 R C -0.339 175.756 176.300 -0.342 0.000 1.058 258 R CA -0.046 55.924 56.100 -0.217 0.000 0.904 258 R CB 0.226 30.392 30.300 -0.224 0.000 1.089 258 R HN 0.661 nan 8.270 nan 0.000 0.471 259 Y N 0.575 120.873 120.300 -0.003 0.000 2.389 259 Y HA 0.160 4.710 4.550 0.000 0.000 0.292 259 Y C 0.149 175.782 175.900 -0.445 0.000 1.117 259 Y CA 0.403 58.349 58.100 -0.256 0.000 1.195 259 Y CB 0.434 38.732 38.460 -0.271 0.000 1.076 259 Y HN 0.444 nan 8.280 nan 0.000 0.548 260 W N -0.312 121.156 121.300 0.279 0.000 3.031 260 W HA 0.578 5.238 4.660 0.000 0.000 0.337 260 W C -0.805 175.826 176.519 0.187 0.000 1.187 260 W CA -0.970 56.496 57.345 0.202 0.000 1.166 260 W CB 1.226 30.790 29.460 0.173 0.000 1.437 260 W HN -0.443 nan 8.180 nan 0.000 0.551 261 Q N 1.064 121.082 119.800 0.364 0.000 2.375 261 Q HA 0.687 5.027 4.340 -0.000 0.000 0.271 261 Q C -1.424 174.606 176.000 0.050 0.000 1.074 261 Q CA -0.510 55.335 55.803 0.070 0.000 0.808 261 Q CB 2.572 31.277 28.738 -0.055 0.000 1.327 261 Q HN 0.425 nan 8.270 nan 0.000 0.441 262 T N 2.422 116.945 114.554 -0.052 0.000 3.170 262 T HA 0.588 4.938 4.350 -0.000 0.000 0.315 262 T C 0.132 174.780 174.700 -0.086 0.000 0.967 262 T CA 0.762 62.839 62.100 -0.039 0.000 1.024 262 T CB 0.570 69.434 68.868 -0.006 0.000 1.018 262 T HN 1.099 nan 8.240 nan 0.000 0.449 263 G N 5.357 114.105 108.800 -0.087 0.000 2.556 263 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.283 263 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.283 263 G C 0.300 175.115 174.900 -0.142 0.000 1.177 263 G CA 0.887 45.933 45.100 -0.091 0.000 0.978 263 G HN 0.964 nan 8.290 nan 0.000 0.554 264 D N 0.093 120.414 120.400 -0.133 0.000 2.363 264 D HA 0.312 4.952 4.640 -0.000 0.000 0.214 264 D C 1.194 177.380 176.300 -0.190 0.000 1.093 264 D CA 0.492 54.398 54.000 -0.158 0.000 0.837 264 D CB 0.030 40.776 40.800 -0.089 0.000 0.948 264 D HN 0.676 nan 8.370 nan 0.000 0.507 265 M N 0.522 120.018 119.600 -0.174 0.000 2.409 265 M HA 0.443 4.922 4.480 -0.000 0.000 0.329 265 M C -1.527 174.656 176.300 -0.195 0.000 1.180 265 M CA -0.582 54.684 55.300 -0.057 0.000 1.053 265 M CB 1.363 34.004 32.600 0.067 0.000 1.586 265 M HN -0.164 nan 8.290 nan 0.000 0.461 266 Y N 1.478 121.884 120.300 0.177 0.000 2.425 266 Y HA 0.376 4.926 4.550 0.000 0.000 0.344 266 Y C -0.637 175.417 175.900 0.257 0.000 0.969 266 Y CA -0.726 57.490 58.100 0.193 0.000 1.052 266 Y CB 1.834 40.375 38.460 0.136 0.000 1.215 266 Y HN 0.564 nan 8.280 nan 0.000 0.451 267 Q N 1.829 121.908 119.800 0.465 0.000 2.303 267 Q HA 0.602 4.942 4.340 -0.000 0.000 0.257 267 Q C -0.143 176.151 176.000 0.490 0.000 0.941 267 Q CA -0.270 55.808 55.803 0.459 0.000 0.931 267 Q CB 1.278 30.301 28.738 0.474 0.000 1.215 267 Q HN 0.889 nan 8.270 nan 0.000 0.437 268 G N 2.659 111.721 108.800 0.437 0.000 2.857 268 G HA2 0.508 4.468 3.960 -0.000 0.000 0.217 268 G HA3 0.508 4.468 3.960 -0.000 0.000 0.217 268 G C -0.962 174.128 174.900 0.315 0.000 1.357 268 G CA -0.867 44.519 45.100 0.476 0.000 1.033 268 G HN 0.594 nan 8.290 nan 0.000 0.571 269 L N 1.213 122.593 121.223 0.261 0.000 2.282 269 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 269 L C 1.437 178.342 176.870 0.058 0.000 1.075 269 L CA 0.514 55.371 54.840 0.029 0.000 0.839 269 L CB 0.453 42.522 42.059 0.017 0.000 1.219 269 L HN 1.050 nan 8.230 nan 0.000 0.434 270 G N 2.252 111.056 108.800 0.007 0.000 4.039 270 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 270 G C 0.025 174.973 174.900 0.081 0.000 1.391 270 G CA -0.159 44.941 45.100 0.000 0.000 0.920 270 G HN 0.533 nan 8.290 nan 0.000 0.599 271 W N 2.272 123.692 121.300 0.200 0.000 2.158 271 W HA 0.576 5.236 4.660 -0.000 0.000 0.339 271 W C 0.783 177.433 176.519 0.220 0.000 1.294 271 W CA -0.273 57.182 57.345 0.183 0.000 1.231 271 W CB 0.439 29.977 29.460 0.131 0.000 1.143 271 W HN 0.297 nan 8.180 nan 0.000 0.571 272 E N 1.839 122.366 120.200 0.547 0.000 2.238 272 E HA 0.520 4.870 4.350 -0.000 0.000 0.267 272 E C -0.767 176.114 176.600 0.467 0.000 0.887 272 E CA -1.070 55.617 56.400 0.479 0.000 0.769 272 E CB 1.710 31.678 29.700 0.446 0.000 1.187 272 E HN 0.199 nan 8.360 nan 0.000 0.416 273 M N 1.998 121.832 119.600 0.391 0.000 2.644 273 M HA 0.536 5.016 4.480 -0.000 0.000 0.304 273 M C -1.480 175.041 176.300 0.368 0.000 1.215 273 M CA -0.446 55.034 55.300 0.300 0.000 0.871 273 M CB 1.715 34.422 32.600 0.179 0.000 1.740 273 M HN 0.303 nan 8.290 nan 0.000 0.464 274 L N 0.579 121.991 121.223 0.315 0.000 2.445 274 L HA 0.476 4.816 4.340 -0.000 0.000 0.262 274 L C -1.071 175.974 176.870 0.293 0.000 0.974 274 L CA -0.668 54.357 54.840 0.308 0.000 0.822 274 L CB 2.180 44.333 42.059 0.157 0.000 1.339 274 L HN 0.552 nan 8.230 nan 0.000 0.409 275 D N 1.332 121.897 120.400 0.275 0.000 2.443 275 D HA -0.010 4.630 4.640 -0.000 0.000 0.239 275 D C -0.900 175.546 176.300 0.243 0.000 1.136 275 D CA 0.263 54.390 54.000 0.213 0.000 0.879 275 D CB 1.155 42.051 40.800 0.159 0.000 1.195 275 D HN 0.348 nan 8.370 nan 0.000 0.443 276 W N 4.135 125.493 121.300 0.098 0.000 2.520 276 W HA 0.290 4.950 4.660 -0.000 0.000 0.323 276 W C -2.231 174.341 176.519 0.088 0.000 1.062 276 W CA -1.844 55.577 57.345 0.126 0.000 1.215 276 W CB 1.117 30.675 29.460 0.164 0.000 1.340 276 W HN 0.243 nan 8.180 nan 0.000 0.516 277 P HA 0.106 nan 4.420 nan 0.000 0.269 277 P C -0.958 175.986 177.300 -0.593 0.000 1.215 277 P CA -0.102 62.200 63.100 -1.331 0.000 0.780 277 P CB 1.781 32.953 31.700 -0.880 0.000 0.898 278 V N 1.880 121.446 119.914 -0.579 0.000 2.769 278 V HA 0.267 4.387 4.120 -0.000 0.000 0.312 278 V C 0.181 175.977 176.094 -0.497 0.000 1.058 278 V CA -0.820 61.267 62.300 -0.355 0.000 0.952 278 V CB 1.723 33.375 31.823 -0.284 0.000 1.019 278 V HN 0.632 nan 8.190 nan 0.000 0.445 279 N N 5.100 123.544 118.700 -0.427 0.000 2.406 279 N HA 0.348 5.088 4.740 -0.000 0.000 0.251 279 N C -1.808 173.340 175.510 -0.603 0.000 1.069 279 N CA -1.897 50.889 53.050 -0.440 0.000 0.947 279 N CB 1.664 39.981 38.487 -0.284 0.000 1.111 279 N HN 0.239 nan 8.380 nan 0.000 0.497 280 P HA -0.153 nan 4.420 nan 0.000 0.216 280 P C 0.509 177.472 177.300 -0.562 0.000 1.153 280 P CA 1.254 63.732 63.100 -1.037 0.000 0.858 280 P CB 0.342 31.212 31.700 -1.384 0.000 0.789 281 D N -0.802 119.361 120.400 -0.395 0.000 2.123 281 D HA -0.138 4.502 4.640 -0.000 0.000 0.196 281 D C 2.102 178.269 176.300 -0.221 0.000 0.992 281 D CA 1.289 55.139 54.000 -0.250 0.000 0.833 281 D CB -0.539 40.148 40.800 -0.189 0.000 0.954 281 D HN 0.134 nan 8.370 nan 0.000 0.455 282 S N 0.850 116.403 115.700 -0.244 0.000 2.354 282 S HA -0.163 4.307 4.470 -0.000 0.000 0.219 282 S C 2.304 176.800 174.600 -0.173 0.000 1.035 282 S CA 1.540 59.625 58.200 -0.192 0.000 1.037 282 S CB -0.362 62.719 63.200 -0.199 0.000 0.956 282 S HN 0.368 nan 8.310 nan 0.000 0.428 283 I N -0.553 119.871 120.570 -0.244 0.000 2.315 283 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 283 I C 2.146 178.211 176.117 -0.087 0.000 1.117 283 I CA 1.394 62.599 61.300 -0.159 0.000 1.404 283 I CB -0.636 37.169 38.000 -0.324 0.000 1.071 283 I HN 0.282 nan 8.210 nan 0.000 0.419 284 I N 2.151 122.625 120.570 -0.160 0.000 2.113 284 I HA -0.277 3.893 4.170 -0.000 0.000 0.238 284 I C 2.339 178.409 176.117 -0.079 0.000 1.070 284 I CA 2.261 63.496 61.300 -0.108 0.000 1.332 284 I CB -0.712 37.208 38.000 -0.133 0.000 1.044 284 I HN 0.337 nan 8.210 nan 0.000 0.402 285 N N 0.572 119.218 118.700 -0.091 0.000 2.142 285 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 285 N C 1.963 177.440 175.510 -0.055 0.000 1.023 285 N CA 1.107 54.115 53.050 -0.070 0.000 0.852 285 N CB -0.363 38.078 38.487 -0.077 0.000 0.998 285 N HN 0.387 nan 8.380 nan 0.000 0.424 286 G N 0.570 109.339 108.800 -0.051 0.000 2.479 286 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 286 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 286 G C 1.551 176.439 174.900 -0.020 0.000 1.115 286 G CA 1.198 46.280 45.100 -0.030 0.000 0.757 286 G HN 0.446 nan 8.290 nan 0.000 0.560 287 S N -0.355 115.337 115.700 -0.013 0.000 2.522 287 S HA 0.023 4.493 4.470 -0.000 0.000 0.227 287 S C 0.675 175.240 174.600 -0.060 0.000 0.986 287 S CA 0.347 58.532 58.200 -0.024 0.000 0.929 287 S CB -0.049 63.147 63.200 -0.007 0.000 0.769 287 S HN 0.371 nan 8.310 nan 0.000 0.529 288 D N 1.577 121.945 120.400 -0.054 0.000 2.455 288 D HA 0.155 4.795 4.640 -0.000 0.000 0.241 288 D C 0.897 177.162 176.300 -0.058 0.000 1.138 288 D CA 0.212 54.179 54.000 -0.053 0.000 0.877 288 D CB 0.291 41.065 40.800 -0.043 0.000 1.187 288 D HN 0.288 nan 8.370 nan 0.000 0.451 289 N N 2.082 120.748 118.700 -0.057 0.000 2.348 289 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 289 N C 1.155 176.641 175.510 -0.039 0.000 1.019 289 N CA 0.602 53.618 53.050 -0.058 0.000 0.880 289 N CB 0.175 38.637 38.487 -0.043 0.000 0.965 289 N HN 0.387 nan 8.380 nan 0.000 0.437 290 K N 0.598 120.981 120.400 -0.029 0.000 2.063 290 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 290 K C 1.773 178.358 176.600 -0.024 0.000 1.048 290 K CA 1.024 57.300 56.287 -0.019 0.000 0.928 290 K CB 0.050 32.540 32.500 -0.017 0.000 0.713 290 K HN 0.228 nan 8.250 nan 0.000 0.442 291 I N 0.132 120.680 120.570 -0.036 0.000 2.296 291 I HA -0.122 4.048 4.170 -0.000 0.000 0.242 291 I C 2.444 178.529 176.117 -0.054 0.000 1.087 291 I CA 0.661 61.937 61.300 -0.040 0.000 1.393 291 I CB -0.408 37.567 38.000 -0.042 0.000 1.093 291 I HN 0.090 nan 8.210 nan 0.000 0.421 292 A N 1.192 123.965 122.820 -0.079 0.000 1.978 292 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 292 A C 2.175 179.667 177.584 -0.153 0.000 1.170 292 A CA 1.510 53.464 52.037 -0.138 0.000 0.636 292 A CB -0.721 18.165 19.000 -0.190 0.000 0.810 292 A HN 0.447 nan 8.150 nan 0.000 0.448 293 L N -1.262 119.911 121.223 -0.083 0.000 2.567 293 L HA 0.240 4.580 4.340 -0.000 0.000 0.225 293 L C 1.274 178.158 176.870 0.023 0.000 1.119 293 L CA -0.011 54.821 54.840 -0.013 0.000 0.871 293 L CB -0.441 41.626 42.059 0.014 0.000 1.036 293 L HN 0.388 nan 8.230 nan 0.000 0.459 294 A N 0.658 123.479 122.820 0.002 0.000 2.304 294 A HA 0.668 4.988 4.320 -0.000 0.000 0.271 294 A C 0.372 177.953 177.584 -0.005 0.000 1.091 294 A CA -0.149 51.896 52.037 0.014 0.000 0.812 294 A CB 0.482 19.480 19.000 -0.002 0.000 1.056 294 A HN 0.181 nan 8.150 nan 0.000 0.489 295 A N 0.679 123.492 122.820 -0.012 0.000 2.371 295 A HA 0.634 4.954 4.320 -0.000 0.000 0.257 295 A C 0.329 177.807 177.584 -0.177 0.000 1.089 295 A CA -0.049 51.908 52.037 -0.133 0.000 0.794 295 A CB 0.182 19.024 19.000 -0.263 0.000 1.029 295 A HN 0.776 nan 8.150 nan 0.000 0.488 296 R N 1.378 121.746 120.500 -0.220 0.000 2.604 296 R HA 0.508 4.848 4.340 -0.000 0.000 0.281 296 R C -2.990 173.177 176.300 -0.222 0.000 1.020 296 R CA -1.682 54.311 56.100 -0.178 0.000 0.899 296 R CB 2.394 32.634 30.300 -0.101 0.000 1.205 296 R HN 0.533 nan 8.270 nan 0.000 0.450 297 P HA 0.093 nan 4.420 nan 0.000 0.271 297 P C -0.705 176.528 177.300 -0.111 0.000 1.218 297 P CA -0.211 62.778 63.100 -0.186 0.000 0.780 297 P CB 0.984 32.603 31.700 -0.135 0.000 0.901 298 V N -0.344 119.511 119.914 -0.099 0.000 2.864 298 V HA 0.625 4.745 4.120 -0.000 0.000 0.314 298 V C -0.227 175.967 176.094 0.167 0.000 1.073 298 V CA -1.140 61.172 62.300 0.020 0.000 0.956 298 V CB 2.096 33.873 31.823 -0.076 0.000 1.023 298 V HN 0.476 nan 8.190 nan 0.000 0.435 299 K N 2.223 122.786 120.400 0.273 0.000 2.274 299 K HA 0.785 5.105 4.320 -0.000 0.000 0.262 299 K C -0.097 176.752 176.600 0.415 0.000 0.961 299 K CA -0.390 56.062 56.287 0.275 0.000 0.833 299 K CB 1.716 34.306 32.500 0.150 0.000 1.102 299 K HN 1.200 nan 8.250 nan 0.000 0.436 300 A N 4.973 128.010 122.820 0.361 0.000 2.425 300 A HA 0.312 4.632 4.320 -0.000 0.000 0.249 300 A C -0.171 177.380 177.584 -0.056 0.000 1.084 300 A CA -0.327 51.707 52.037 -0.006 0.000 0.781 300 A CB -0.025 18.920 19.000 -0.092 0.000 1.019 300 A HN 0.791 nan 8.150 nan 0.000 0.490 301 I N 2.263 122.726 120.570 -0.179 0.000 2.307 301 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 301 I C -0.221 175.809 176.117 -0.145 0.000 1.021 301 I CA 0.120 61.366 61.300 -0.091 0.000 1.224 301 I CB 1.582 39.549 38.000 -0.054 0.000 1.376 301 I HN 0.543 nan 8.210 nan 0.000 0.470 302 T N 6.549 121.051 114.554 -0.086 0.000 2.842 302 T HA 0.432 4.782 4.350 -0.000 0.000 0.308 302 T C -1.860 172.808 174.700 -0.054 0.000 1.041 302 T CA -0.981 61.073 62.100 -0.076 0.000 0.964 302 T CB 0.821 69.661 68.868 -0.047 0.000 0.972 302 T HN 0.426 nan 8.240 nan 0.000 0.460 303 P HA 0.529 nan 4.420 nan 0.000 0.280 303 P C -2.973 174.249 177.300 -0.131 0.000 1.272 303 P CA -2.066 60.983 63.100 -0.085 0.000 0.819 303 P CB -0.143 31.519 31.700 -0.062 0.000 1.122 304 P HA 0.043 nan 4.420 nan 0.000 0.266 304 P C -0.316 176.828 177.300 -0.260 0.000 1.193 304 P CA 0.462 63.375 63.100 -0.312 0.000 0.770 304 P CB -0.036 31.348 31.700 -0.526 0.000 0.836 305 T N 4.923 119.316 114.554 -0.269 0.000 2.832 305 T HA 0.313 4.663 4.350 -0.000 0.000 0.296 305 T C -2.173 172.388 174.700 -0.232 0.000 0.968 305 T CA -1.198 60.774 62.100 -0.214 0.000 1.107 305 T CB 0.118 68.856 68.868 -0.217 0.000 0.916 305 T HN 0.268 nan 8.240 nan 0.000 0.517 306 P HA 0.235 nan 4.420 nan 0.000 0.272 306 P C -0.569 176.650 177.300 -0.135 0.000 1.230 306 P CA -0.593 62.423 63.100 -0.140 0.000 0.788 306 P CB 0.267 31.909 31.700 -0.096 0.000 0.949 307 A N 2.364 125.118 122.820 -0.109 0.000 2.567 307 A HA 0.024 4.344 4.320 -0.000 0.000 0.263 307 A C 0.251 177.776 177.584 -0.100 0.000 1.030 307 A CA 0.302 52.279 52.037 -0.099 0.000 0.833 307 A CB -1.054 17.900 19.000 -0.076 0.000 0.924 307 A HN 0.374 nan 8.150 nan 0.000 0.518 308 V N 5.593 125.439 119.914 -0.114 0.000 2.408 308 V HA 0.100 4.220 4.120 -0.000 0.000 0.267 308 V C 1.613 177.665 176.094 -0.069 0.000 1.047 308 V CA -0.129 62.114 62.300 -0.095 0.000 0.937 308 V CB 0.807 32.559 31.823 -0.120 0.000 0.999 308 V HN 1.059 nan 8.190 nan 0.000 0.472 309 R N 3.740 124.208 120.500 -0.053 0.000 2.091 309 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 309 R C 1.443 177.728 176.300 -0.024 0.000 1.136 309 R CA 1.531 57.603 56.100 -0.046 0.000 0.959 309 R CB -0.160 30.116 30.300 -0.041 0.000 0.856 309 R HN 0.808 nan 8.270 nan 0.000 0.437 310 A N 0.564 123.396 122.820 0.020 0.000 3.091 310 A HA 0.316 4.636 4.320 -0.000 0.000 0.264 310 A C -0.638 177.040 177.584 0.155 0.000 1.673 310 A CA -0.039 52.062 52.037 0.107 0.000 1.362 310 A CB 0.077 19.164 19.000 0.144 0.000 1.137 310 A HN 0.099 nan 8.150 nan 0.000 0.617 311 S N 0.345 116.097 115.700 0.087 0.000 2.599 311 S HA 0.578 5.048 4.470 -0.000 0.000 0.287 311 S C -0.999 173.663 174.600 0.103 0.000 1.105 311 S CA -0.592 57.677 58.200 0.116 0.000 0.899 311 S CB 1.299 64.490 63.200 -0.015 0.000 1.100 311 S HN 0.687 nan 8.310 nan 0.000 0.482 312 W N 3.592 124.895 121.300 0.005 0.000 2.291 312 W HA 0.578 5.238 4.660 -0.000 0.000 0.312 312 W C -1.925 174.442 176.519 -0.253 0.000 1.061 312 W CA -0.590 56.707 57.345 -0.079 0.000 1.296 312 W CB 0.535 30.066 29.460 0.117 0.000 1.223 312 W HN 0.342 nan 8.180 nan 0.000 0.421 313 V N 7.529 126.980 119.914 -0.772 0.000 2.435 313 V HA 0.469 4.589 4.120 -0.000 0.000 0.290 313 V C -0.009 175.613 176.094 -0.786 0.000 1.030 313 V CA -0.316 61.489 62.300 -0.824 0.000 0.881 313 V CB 1.227 32.108 31.823 -1.571 0.000 0.983 313 V HN 0.697 nan 8.190 nan 0.000 0.445 314 H N 2.380 121.299 119.070 -0.252 0.000 2.918 314 H HA 0.899 5.455 4.556 -0.000 0.000 0.303 314 H C -1.297 174.206 175.328 0.291 0.000 1.380 314 H CA -1.292 54.727 56.048 -0.048 0.000 1.134 314 H CB 2.096 31.886 29.762 0.047 0.000 1.842 314 H HN 0.452 nan 8.280 nan 0.000 0.533 315 K N 0.995 121.425 120.400 0.050 0.000 2.592 315 K HA 0.249 4.569 4.320 -0.000 0.000 0.259 315 K C -1.573 175.093 176.600 0.110 0.000 0.937 315 K CA 0.056 56.364 56.287 0.036 0.000 0.874 315 K CB 1.950 34.529 32.500 0.133 0.000 1.339 315 K HN 0.941 nan 8.250 nan 0.000 0.425 316 T N 0.087 114.738 114.554 0.161 0.000 2.928 316 T HA 0.882 5.232 4.350 -0.000 0.000 0.284 316 T C 0.332 175.138 174.700 0.177 0.000 1.008 316 T CA -0.494 61.767 62.100 0.267 0.000 1.057 316 T CB 1.722 70.680 68.868 0.151 0.000 1.018 316 T HN 0.620 nan 8.240 nan 0.000 0.493 317 G N -0.554 108.357 108.800 0.185 0.000 2.660 317 G HA2 0.806 4.766 3.960 -0.000 0.000 0.294 317 G HA3 0.806 4.766 3.960 -0.000 0.000 0.294 317 G C -1.525 173.469 174.900 0.157 0.000 1.369 317 G CA -0.663 44.544 45.100 0.178 0.000 0.912 317 G HN 1.215 nan 8.290 nan 0.000 0.479 318 A N -0.019 122.894 122.820 0.154 0.000 2.599 318 A HA 0.951 5.271 4.320 -0.000 0.000 0.294 318 A C -0.203 177.466 177.584 0.142 0.000 1.055 318 A CA 0.160 52.289 52.037 0.154 0.000 0.683 318 A CB 1.408 20.463 19.000 0.093 0.000 1.278 318 A HN 1.978 nan 8.150 nan 0.000 0.412 319 T N -2.002 112.670 114.554 0.197 0.000 2.716 319 T HA 0.657 5.007 4.350 -0.000 0.000 0.286 319 T C 1.342 176.154 174.700 0.186 0.000 1.052 319 T CA 0.175 62.375 62.100 0.167 0.000 1.024 319 T CB 0.950 69.969 68.868 0.251 0.000 1.349 319 T HN 1.839 nan 8.240 nan 0.000 0.525 320 G N 0.149 109.046 108.800 0.162 0.000 2.529 320 G HA2 0.081 4.041 3.960 -0.000 0.000 0.219 320 G HA3 0.081 4.041 3.960 -0.000 0.000 0.219 320 G C 1.143 176.137 174.900 0.156 0.000 1.177 320 G CA 0.823 46.006 45.100 0.138 0.000 0.773 320 G HN 1.295 nan 8.290 nan 0.000 0.573 321 G N -1.362 107.567 108.800 0.214 0.000 3.651 321 G HA2 0.496 4.456 3.960 -0.000 0.000 0.279 321 G HA3 0.496 4.456 3.960 -0.000 0.000 0.279 321 G C -0.561 174.304 174.900 -0.060 0.000 1.024 321 G CA -0.530 44.615 45.100 0.075 0.000 0.813 321 G HN 0.200 nan 8.290 nan 0.000 0.518 322 F N -0.230 119.853 119.950 0.222 0.000 2.578 322 F HA 0.658 5.185 4.527 0.000 0.000 0.311 322 F C 0.310 176.245 175.800 0.226 0.000 1.094 322 F CA -0.978 57.185 58.000 0.272 0.000 0.923 322 F CB 2.709 41.890 39.000 0.301 0.000 1.230 322 F HN 0.017 nan 8.300 nan 0.000 0.450 323 G N 1.146 110.214 108.800 0.447 0.000 2.702 323 G HA2 0.544 4.504 3.960 -0.000 0.000 0.295 323 G HA3 0.544 4.504 3.960 -0.000 0.000 0.295 323 G C -1.361 173.711 174.900 0.287 0.000 1.446 323 G CA -0.641 44.618 45.100 0.266 0.000 0.983 323 G HN 0.724 nan 8.290 nan 0.000 0.520 324 S N 1.248 117.087 115.700 0.233 0.000 2.634 324 S HA 0.875 5.345 4.470 -0.000 0.000 0.296 324 S C -1.414 173.375 174.600 0.315 0.000 1.104 324 S CA -0.967 57.386 58.200 0.256 0.000 0.920 324 S CB 2.465 65.806 63.200 0.235 0.000 1.111 324 S HN 1.143 nan 8.310 nan 0.000 0.493 325 Y N -0.002 120.397 120.300 0.166 0.000 2.474 325 Y HA 0.583 5.133 4.550 0.000 0.000 0.326 325 Y C -2.049 173.991 175.900 0.233 0.000 1.160 325 Y CA -0.720 57.490 58.100 0.184 0.000 1.056 325 Y CB 1.401 39.964 38.460 0.171 0.000 1.330 325 Y HN 0.785 nan 8.280 nan 0.000 0.447 326 V N 4.072 123.749 119.914 -0.395 0.000 2.760 326 V HA 1.007 5.127 4.120 -0.000 0.000 0.309 326 V C -0.847 174.973 176.094 -0.456 0.000 1.077 326 V CA -0.272 61.914 62.300 -0.190 0.000 0.910 326 V CB 1.539 33.500 31.823 0.230 0.000 1.008 326 V HN 1.061 nan 8.190 nan 0.000 0.424 327 A N 4.072 126.703 122.820 -0.315 0.000 2.574 327 A HA 1.035 5.355 4.320 -0.000 0.000 0.297 327 A C -1.370 175.951 177.584 -0.439 0.000 1.062 327 A CA -0.529 51.172 52.037 -0.559 0.000 0.686 327 A CB 1.890 20.482 19.000 -0.680 0.000 1.285 327 A HN 1.675 nan 8.150 nan 0.000 0.403 328 F N -0.891 118.600 119.950 -0.766 0.000 2.719 328 F HA 0.804 5.331 4.527 -0.000 0.000 0.309 328 F C -1.576 173.847 175.800 -0.628 0.000 1.138 328 F CA -1.212 56.414 58.000 -0.623 0.000 0.943 328 F CB 1.129 39.843 39.000 -0.476 0.000 1.304 328 F HN 0.331 nan 8.300 nan 0.000 0.445 329 I N 2.548 122.958 120.570 -0.268 0.000 2.495 329 I HA 0.329 4.499 4.170 -0.000 0.000 0.277 329 I C -1.934 174.078 176.117 -0.174 0.000 1.045 329 I CA -1.922 59.177 61.300 -0.335 0.000 1.135 329 I CB 1.759 39.390 38.000 -0.616 0.000 1.241 329 I HN 0.355 nan 8.210 nan 0.000 0.469 330 P HA -0.259 nan 4.420 nan 0.000 0.216 330 P C 1.330 178.560 177.300 -0.117 0.000 1.157 330 P CA 1.491 64.545 63.100 -0.078 0.000 0.880 330 P CB 0.343 32.009 31.700 -0.056 0.000 0.791 331 E N -0.168 119.964 120.200 -0.113 0.000 2.267 331 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 331 E C 1.183 177.716 176.600 -0.112 0.000 0.998 331 E CA 0.972 57.317 56.400 -0.091 0.000 0.830 331 E CB -0.040 29.634 29.700 -0.044 0.000 0.751 331 E HN 0.118 nan 8.360 nan 0.000 0.491 332 K N 0.219 120.517 120.400 -0.171 0.000 2.373 332 K HA 0.066 4.386 4.320 -0.000 0.000 0.202 332 K C -0.331 176.161 176.600 -0.181 0.000 1.025 332 K CA 0.104 56.289 56.287 -0.170 0.000 1.115 332 K CB 0.741 33.111 32.500 -0.217 0.000 0.858 332 K HN 0.137 nan 8.250 nan 0.000 0.525 333 E N 0.869 120.965 120.200 -0.174 0.000 2.440 333 E HA -0.235 4.115 4.350 -0.000 0.000 0.246 333 E C -0.599 175.893 176.600 -0.180 0.000 1.165 333 E CA 0.387 56.678 56.400 -0.181 0.000 0.726 333 E CB -1.523 28.069 29.700 -0.180 0.000 1.271 333 E HN 0.085 nan 8.360 nan 0.000 0.397 334 L N -0.091 121.029 121.223 -0.171 0.000 2.365 334 L HA 0.759 5.099 4.340 -0.000 0.000 0.273 334 L C 0.223 177.019 176.870 -0.123 0.000 1.000 334 L CA 0.199 54.961 54.840 -0.129 0.000 0.819 334 L CB 2.020 43.992 42.059 -0.145 0.000 1.284 334 L HN 0.093 nan 8.230 nan 0.000 0.418 335 G N 4.172 112.930 108.800 -0.070 0.000 2.646 335 G HA2 0.607 4.566 3.960 -0.000 0.000 0.291 335 G HA3 0.607 4.566 3.960 -0.000 0.000 0.291 335 G C -2.238 172.661 174.900 -0.001 0.000 1.445 335 G CA -0.437 44.631 45.100 -0.053 0.000 0.814 335 G HN 0.757 nan 8.290 nan 0.000 0.495 336 I N -0.120 120.460 120.570 0.017 0.000 2.894 336 I HA 0.746 4.916 4.170 -0.000 0.000 0.302 336 I C -1.357 174.831 176.117 0.119 0.000 1.188 336 I CA -1.043 60.310 61.300 0.088 0.000 1.014 336 I CB 2.405 40.478 38.000 0.122 0.000 1.242 336 I HN 0.401 nan 8.210 nan 0.000 0.430 337 V N 7.027 127.045 119.914 0.173 0.000 2.638 337 V HA 0.526 4.646 4.120 -0.000 0.000 0.306 337 V C -0.590 175.642 176.094 0.231 0.000 1.052 337 V CA -0.437 61.983 62.300 0.200 0.000 0.885 337 V CB 1.883 33.834 31.823 0.214 0.000 0.999 337 V HN 0.645 nan 8.190 nan 0.000 0.424 338 M N 6.158 125.904 119.600 0.244 0.000 2.142 338 M HA 0.608 5.088 4.480 -0.000 0.000 0.299 338 M C -1.453 174.948 176.300 0.169 0.000 0.960 338 M CA -0.209 55.235 55.300 0.241 0.000 0.920 338 M CB 1.928 34.720 32.600 0.320 0.000 1.541 338 M HN 0.395 nan 8.290 nan 0.000 0.429 339 L N 2.864 124.090 121.223 0.004 0.000 2.356 339 L HA 0.979 5.319 4.340 -0.000 0.000 0.277 339 L C -0.392 176.335 176.870 -0.238 0.000 0.996 339 L CA -0.680 54.007 54.840 -0.255 0.000 0.822 339 L CB 1.812 43.343 42.059 -0.880 0.000 1.256 339 L HN 0.773 nan 8.230 nan 0.000 0.413 340 A N 1.952 124.860 122.820 0.147 0.000 2.454 340 A HA 0.652 4.972 4.320 -0.000 0.000 0.302 340 A C -0.597 177.314 177.584 0.546 0.000 1.079 340 A CA -0.764 51.486 52.037 0.355 0.000 0.731 340 A CB 1.316 20.516 19.000 0.333 0.000 1.299 340 A HN 0.754 nan 8.150 nan 0.000 0.413 341 N N 1.370 120.329 118.700 0.432 0.000 2.920 341 N HA 0.227 4.967 4.740 -0.000 0.000 0.310 341 N C -0.581 174.898 175.510 -0.051 0.000 1.384 341 N CA -0.183 52.815 53.050 -0.087 0.000 1.083 341 N CB 0.409 38.857 38.487 -0.064 0.000 1.389 341 N HN 0.585 nan 8.380 nan 0.000 0.521 342 K N 0.440 120.904 120.400 0.107 0.000 2.569 342 K HA 0.176 4.496 4.320 -0.000 0.000 0.259 342 K C -1.816 174.964 176.600 0.301 0.000 0.932 342 K CA -0.602 55.787 56.287 0.171 0.000 0.833 342 K CB 1.416 34.017 32.500 0.168 0.000 1.340 342 K HN 0.047 nan 8.250 nan 0.000 0.429 343 N N 3.895 122.735 118.700 0.233 0.000 2.406 343 N HA 0.162 4.902 4.740 -0.000 0.000 0.251 343 N C -1.386 174.264 175.510 0.234 0.000 1.069 343 N CA 0.090 53.267 53.050 0.211 0.000 0.947 343 N CB 0.040 38.612 38.487 0.143 0.000 1.111 343 N HN 0.441 nan 8.380 nan 0.000 0.497 344 Y N 1.531 121.871 120.300 0.067 0.000 2.598 344 Y HA 0.726 5.276 4.550 -0.000 0.000 0.340 344 Y C -2.613 173.305 175.900 0.029 0.000 1.038 344 Y CA -3.243 54.881 58.100 0.040 0.000 1.100 344 Y CB -0.549 37.928 38.460 0.029 0.000 1.281 344 Y HN 0.310 nan 8.280 nan 0.000 0.488 345 P HA -0.049 nan 4.420 nan 0.000 0.259 345 P C 0.216 177.405 177.300 -0.184 0.000 1.163 345 P CA 0.629 63.697 63.100 -0.053 0.000 0.760 345 P CB 0.645 32.364 31.700 0.031 0.000 0.762 346 N N 5.091 123.685 118.700 -0.176 0.000 2.069 346 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 346 N C -0.852 174.554 175.510 -0.174 0.000 1.031 346 N CA 1.773 54.699 53.050 -0.206 0.000 0.852 346 N CB -1.702 36.702 38.487 -0.138 0.000 1.018 346 N HN 0.436 nan 8.380 nan 0.000 0.423 347 P HA -0.052 nan 4.420 nan 0.000 0.219 347 P C 0.922 178.197 177.300 -0.041 0.000 1.146 347 P CA 1.227 64.286 63.100 -0.069 0.000 0.808 347 P CB -0.028 31.645 31.700 -0.045 0.000 0.779 348 A N 0.300 123.115 122.820 -0.008 0.000 1.897 348 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 348 A C 2.211 179.855 177.584 0.100 0.000 1.181 348 A CA 1.212 53.301 52.037 0.086 0.000 0.620 348 A CB -0.848 18.288 19.000 0.226 0.000 0.821 348 A HN 0.127 nan 8.150 nan 0.000 0.443 349 R N -0.421 120.077 120.500 -0.004 0.000 2.066 349 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 349 R C 1.921 178.103 176.300 -0.197 0.000 1.131 349 R CA 1.486 57.549 56.100 -0.062 0.000 0.955 349 R CB -0.890 29.234 30.300 -0.294 0.000 0.851 349 R HN 0.327 nan 8.270 nan 0.000 0.432 350 V N 2.121 121.828 119.914 -0.345 0.000 2.407 350 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 350 V C 2.076 178.240 176.094 0.117 0.000 1.055 350 V CA 2.126 64.307 62.300 -0.197 0.000 1.049 350 V CB -0.593 31.159 31.823 -0.120 0.000 0.662 350 V HN 0.300 nan 8.190 nan 0.000 0.455 351 D N 0.590 121.037 120.400 0.078 0.000 2.084 351 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 351 D C 2.180 178.619 176.300 0.233 0.000 0.990 351 D CA 1.770 55.864 54.000 0.157 0.000 0.826 351 D CB -0.200 40.652 40.800 0.086 0.000 0.971 351 D HN 0.321 nan 8.370 nan 0.000 0.453 352 A N 0.841 123.760 122.820 0.165 0.000 1.873 352 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 352 A C 2.464 180.176 177.584 0.213 0.000 1.193 352 A CA 2.940 55.068 52.037 0.152 0.000 0.629 352 A CB -1.283 17.786 19.000 0.116 0.000 0.826 352 A HN 0.355 nan 8.150 nan 0.000 0.447 353 A N -1.310 121.693 122.820 0.306 0.000 1.908 353 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 353 A C 2.125 180.010 177.584 0.502 0.000 1.181 353 A CA 1.540 53.839 52.037 0.437 0.000 0.627 353 A CB -0.930 18.502 19.000 0.720 0.000 0.818 353 A HN 0.929 nan 8.150 nan 0.000 0.445 354 W N 0.653 122.163 121.300 0.350 0.000 2.388 354 W HA -0.177 4.483 4.660 -0.000 0.000 0.294 354 W C 1.913 178.559 176.519 0.212 0.000 1.212 354 W CA 1.737 59.259 57.345 0.295 0.000 1.271 354 W CB -0.384 29.129 29.460 0.089 0.000 1.126 354 W HN 0.519 nan 8.180 nan 0.000 0.535 355 Q N 0.645 120.477 119.800 0.053 0.000 2.030 355 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 355 Q C 2.332 178.251 176.000 -0.135 0.000 0.986 355 Q CA 2.570 58.319 55.803 -0.090 0.000 0.843 355 Q CB -0.512 28.256 28.738 0.050 0.000 0.904 355 Q HN 0.329 nan 8.270 nan 0.000 0.420 356 I N 0.567 121.121 120.570 -0.025 0.000 2.099 356 I HA -0.326 3.844 4.170 -0.000 0.000 0.239 356 I C 2.281 178.370 176.117 -0.047 0.000 1.066 356 I CA 1.244 62.528 61.300 -0.027 0.000 1.324 356 I CB -0.360 37.653 38.000 0.020 0.000 1.037 356 I HN 0.223 nan 8.210 nan 0.000 0.401 357 L N 0.283 121.505 121.223 -0.000 0.000 2.083 357 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 357 L C 2.400 179.213 176.870 -0.095 0.000 1.083 357 L CA 1.617 56.456 54.840 -0.001 0.000 0.752 357 L CB -0.885 41.239 42.059 0.108 0.000 0.899 357 L HN 0.467 nan 8.230 nan 0.000 0.433 358 N N 0.209 118.705 118.700 -0.340 0.000 2.223 358 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 358 N C 1.824 177.221 175.510 -0.189 0.000 1.016 358 N CA 1.089 53.871 53.050 -0.447 0.000 0.863 358 N CB 0.183 37.973 38.487 -1.161 0.000 0.983 358 N HN 0.316 nan 8.380 nan 0.000 0.429 359 A N 0.965 123.688 122.820 -0.163 0.000 1.969 359 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 359 A C 1.875 179.441 177.584 -0.030 0.000 1.169 359 A CA 0.705 52.693 52.037 -0.081 0.000 0.635 359 A CB -0.290 18.662 19.000 -0.080 0.000 0.810 359 A HN 0.314 nan 8.150 nan 0.000 0.445 360 L N -0.941 120.278 121.223 -0.007 0.000 2.629 360 L HA 0.404 4.744 4.340 -0.000 0.000 0.230 360 L C 0.917 177.869 176.870 0.137 0.000 1.151 360 L CA 0.398 55.283 54.840 0.076 0.000 0.924 360 L CB -0.794 41.330 42.059 0.108 0.000 1.137 360 L HN 0.693 nan 8.230 nan 0.000 0.457 361 Q N 0.000 119.852 119.800 0.086 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.869 55.803 0.111 0.000 1.022 361 Q CB 0.000 28.785 28.738 0.078 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481