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 3o87_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 0.000 177.442 177.584 -0.237 0.000 1.274 4 A CA 0.000 51.897 52.037 -0.233 0.000 0.836 4 A CB 0.000 18.839 19.000 -0.269 0.000 0.831 5 P HA 0.045 nan 4.420 nan 0.000 0.266 5 P C 0.814 177.999 177.300 -0.191 0.000 1.193 5 P CA -0.070 62.884 63.100 -0.244 0.000 0.770 5 P CB 0.591 32.096 31.700 -0.326 0.000 0.836 6 Q N 2.287 122.017 119.800 -0.117 0.000 2.152 6 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 6 Q C 1.805 177.751 176.000 -0.090 0.000 0.985 6 Q CA 1.912 57.669 55.803 -0.077 0.000 0.863 6 Q CB -0.123 28.586 28.738 -0.049 0.000 0.904 6 Q HN 0.586 nan 8.270 nan 0.000 0.422 7 Q N -0.268 119.450 119.800 -0.136 0.000 2.135 7 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 7 Q C 2.157 178.056 176.000 -0.168 0.000 0.981 7 Q CA 1.483 57.198 55.803 -0.147 0.000 0.856 7 Q CB -0.044 28.576 28.738 -0.197 0.000 0.902 7 Q HN 0.497 nan 8.270 nan 0.000 0.425 8 I N 0.586 121.017 120.570 -0.232 0.000 2.235 8 I HA -0.234 3.936 4.170 -0.000 0.000 0.241 8 I C 2.015 178.090 176.117 -0.070 0.000 1.085 8 I CA 0.592 61.775 61.300 -0.195 0.000 1.378 8 I CB -0.427 37.404 38.000 -0.281 0.000 1.076 8 I HN 0.216 nan 8.210 nan 0.000 0.415 9 N N 0.983 119.691 118.700 0.014 0.000 2.094 9 N HA -0.257 4.483 4.740 -0.000 0.000 0.191 9 N C 1.506 177.051 175.510 0.058 0.000 1.023 9 N CA 1.899 55.011 53.050 0.103 0.000 0.857 9 N CB -0.534 38.002 38.487 0.082 0.000 1.013 9 N HN 0.372 nan 8.380 nan 0.000 0.426 10 D N 0.373 120.786 120.400 0.022 0.000 2.092 10 D HA -0.113 4.527 4.640 -0.000 0.000 0.193 10 D C 1.895 178.215 176.300 0.032 0.000 0.994 10 D CA 0.648 54.674 54.000 0.043 0.000 0.828 10 D CB -0.211 40.593 40.800 0.007 0.000 0.963 10 D HN 0.111 nan 8.370 nan 0.000 0.450 11 I N -0.224 120.334 120.570 -0.021 0.000 2.353 11 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 11 I C 2.138 178.236 176.117 -0.032 0.000 1.119 11 I CA 0.800 62.081 61.300 -0.031 0.000 1.417 11 I CB -0.292 37.675 38.000 -0.054 0.000 1.078 11 I HN -0.019 nan 8.210 nan 0.000 0.421 12 V N 0.209 120.072 119.914 -0.086 0.000 2.295 12 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 12 V C 2.564 178.716 176.094 0.096 0.000 1.049 12 V CA 2.273 64.501 62.300 -0.120 0.000 1.024 12 V CB -1.120 30.375 31.823 -0.548 0.000 0.648 12 V HN 0.534 nan 8.190 nan 0.000 0.447 13 H N 0.698 119.791 119.070 0.038 0.000 2.387 13 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 13 H C 2.409 177.789 175.328 0.086 0.000 1.090 13 H CA 1.805 57.935 56.048 0.138 0.000 1.332 13 H CB -0.113 29.715 29.762 0.109 0.000 1.386 13 H HN 0.273 nan 8.280 nan 0.000 0.516 14 R N -1.139 119.357 120.500 -0.008 0.000 2.148 14 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 14 R C 1.609 177.871 176.300 -0.063 0.000 1.103 14 R CA 1.637 57.685 56.100 -0.087 0.000 0.983 14 R CB 0.216 30.494 30.300 -0.038 0.000 0.874 14 R HN 0.347 nan 8.270 nan 0.000 0.451 15 T N 0.209 114.747 114.554 -0.027 0.000 3.053 15 T HA 0.122 4.472 4.350 -0.000 0.000 0.236 15 T C 1.712 176.377 174.700 -0.058 0.000 0.996 15 T CA 0.188 62.274 62.100 -0.024 0.000 1.185 15 T CB 0.201 69.071 68.868 0.003 0.000 0.892 15 T HN -0.050 nan 8.240 nan 0.000 0.432 16 I N 2.250 122.777 120.570 -0.071 0.000 2.286 16 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 16 I C 2.582 178.488 176.117 -0.351 0.000 1.104 16 I CA 1.377 62.532 61.300 -0.241 0.000 1.397 16 I CB -1.797 35.977 38.000 -0.375 0.000 1.072 16 I HN 0.257 nan 8.210 nan 0.000 0.417 17 T N 2.147 116.625 114.554 -0.126 0.000 2.684 17 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 17 T C -0.273 174.346 174.700 -0.135 0.000 1.036 17 T CA 1.600 63.660 62.100 -0.068 0.000 1.148 17 T CB -1.382 67.672 68.868 0.310 0.000 0.863 17 T HN 0.233 nan 8.240 nan 0.000 0.436 18 P HA 0.016 nan 4.420 nan 0.000 0.217 18 P C 1.669 178.894 177.300 -0.125 0.000 1.150 18 P CA 0.427 63.465 63.100 -0.104 0.000 0.832 18 P CB -0.189 31.460 31.700 -0.085 0.000 0.787 19 L N -0.387 120.744 121.223 -0.153 0.000 2.013 19 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 19 L C 2.143 178.862 176.870 -0.253 0.000 1.073 19 L CA 1.911 56.646 54.840 -0.174 0.000 0.753 19 L CB -1.202 40.751 42.059 -0.176 0.000 0.890 19 L HN -0.130 nan 8.230 nan 0.000 0.432 20 I N -0.528 119.849 120.570 -0.322 0.000 2.264 20 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 20 I C 2.394 178.392 176.117 -0.198 0.000 1.111 20 I CA 1.073 62.179 61.300 -0.324 0.000 1.382 20 I CB -0.457 37.295 38.000 -0.413 0.000 1.060 20 I HN 0.348 nan 8.210 nan 0.000 0.418 21 E N 0.596 120.708 120.200 -0.146 0.000 2.107 21 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 21 E C 2.163 178.715 176.600 -0.081 0.000 0.982 21 E CA 1.087 57.434 56.400 -0.088 0.000 0.809 21 E CB -0.263 29.403 29.700 -0.057 0.000 0.756 21 E HN 0.601 nan 8.360 nan 0.000 0.459 22 Q N 0.086 119.832 119.800 -0.089 0.000 2.167 22 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 22 Q C 1.704 177.667 176.000 -0.062 0.000 0.970 22 Q CA 0.908 56.672 55.803 -0.064 0.000 0.855 22 Q CB 0.148 28.853 28.738 -0.055 0.000 0.911 22 Q HN 0.133 nan 8.270 nan 0.000 0.438 23 Q N -0.073 119.662 119.800 -0.108 0.000 2.247 23 Q HA 0.108 4.448 4.340 -0.000 0.000 0.211 23 Q C -0.363 175.582 176.000 -0.091 0.000 0.861 23 Q CA 0.094 55.835 55.803 -0.102 0.000 0.949 23 Q CB 0.832 29.430 28.738 -0.234 0.000 1.115 23 Q HN 0.253 nan 8.270 nan 0.000 0.507 24 K N 0.878 121.222 120.400 -0.092 0.000 3.077 24 K HA -0.182 4.138 4.320 -0.000 0.000 0.264 24 K C -0.455 176.100 176.600 -0.074 0.000 1.008 24 K CA 0.244 56.489 56.287 -0.070 0.000 0.740 24 K CB -1.870 30.607 32.500 -0.038 0.000 1.273 24 K HN 0.264 nan 8.250 nan 0.000 0.477 25 I N 0.831 121.328 120.570 -0.122 0.000 2.533 25 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 25 I C -0.919 175.175 176.117 -0.039 0.000 1.109 25 I CA -1.828 59.415 61.300 -0.096 0.000 1.412 25 I CB 0.680 38.555 38.000 -0.209 0.000 1.396 25 I HN 0.005 nan 8.210 nan 0.000 0.543 26 P HA -0.006 nan 4.420 nan 0.000 0.216 26 P C 0.387 177.747 177.300 0.100 0.000 1.153 26 P CA 0.521 63.623 63.100 0.004 0.000 0.844 26 P CB 0.294 31.936 31.700 -0.097 0.000 0.787 27 G N -1.663 107.253 108.800 0.194 0.000 2.704 27 G HA2 0.693 4.653 3.960 -0.000 0.000 0.293 27 G HA3 0.693 4.653 3.960 -0.000 0.000 0.293 27 G C -1.966 173.171 174.900 0.396 0.000 1.421 27 G CA -0.371 44.909 45.100 0.300 0.000 0.870 27 G HN 0.047 nan 8.290 nan 0.000 0.492 28 M N 0.489 120.369 119.600 0.467 0.000 2.426 28 M HA 0.678 5.158 4.480 -0.000 0.000 0.289 28 M C -1.619 175.002 176.300 0.535 0.000 1.168 28 M CA -0.492 55.042 55.300 0.389 0.000 0.933 28 M CB 2.176 34.840 32.600 0.106 0.000 1.750 28 M HN 1.234 nan 8.290 nan 0.000 0.494 29 A N 3.027 126.027 122.820 0.299 0.000 2.414 29 A HA 0.914 5.234 4.320 -0.000 0.000 0.306 29 A C -1.825 175.969 177.584 0.349 0.000 1.054 29 A CA -0.629 51.633 52.037 0.374 0.000 0.724 29 A CB 1.981 21.128 19.000 0.246 0.000 1.267 29 A HN 0.639 nan 8.150 nan 0.000 0.418 30 V N 0.628 120.866 119.914 0.541 0.000 2.760 30 V HA 0.785 4.905 4.120 -0.000 0.000 0.309 30 V C -0.019 176.428 176.094 0.588 0.000 1.077 30 V CA -0.188 62.419 62.300 0.511 0.000 0.910 30 V CB 1.916 34.078 31.823 0.565 0.000 1.008 30 V HN 1.512 nan 8.190 nan 0.000 0.424 31 A N 3.873 126.955 122.820 0.437 0.000 2.343 31 A HA 0.898 5.218 4.320 -0.000 0.000 0.316 31 A C -1.106 176.650 177.584 0.288 0.000 1.104 31 A CA -0.565 51.677 52.037 0.340 0.000 0.768 31 A CB 1.763 20.925 19.000 0.270 0.000 1.213 31 A HN 0.672 nan 8.150 nan 0.000 0.456 32 V N 3.268 123.377 119.914 0.325 0.000 2.459 32 V HA 0.392 4.512 4.120 -0.000 0.000 0.295 32 V C -0.888 175.334 176.094 0.213 0.000 1.029 32 V CA -0.347 62.117 62.300 0.273 0.000 0.874 32 V CB 1.444 33.461 31.823 0.322 0.000 0.985 32 V HN 0.720 nan 8.190 nan 0.000 0.438 33 I N 5.656 126.309 120.570 0.138 0.000 2.330 33 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 33 I C -0.751 175.471 176.117 0.175 0.000 1.001 33 I CA -0.479 60.873 61.300 0.086 0.000 1.193 33 I CB 0.945 38.929 38.000 -0.026 0.000 1.345 33 I HN 0.580 nan 8.210 nan 0.000 0.461 34 Y N 5.349 125.717 120.300 0.115 0.000 2.338 34 Y HA 0.359 4.910 4.550 0.000 0.000 0.333 34 Y C 0.215 176.165 175.900 0.083 0.000 0.968 34 Y CA -0.836 57.328 58.100 0.108 0.000 1.123 34 Y CB 1.154 39.711 38.460 0.162 0.000 1.165 34 Y HN 0.689 nan 8.280 nan 0.000 0.452 35 Q N 4.606 124.119 119.800 -0.479 0.000 2.434 35 Q HA -0.273 4.067 4.340 -0.000 0.000 0.299 35 Q C 1.126 177.039 176.000 -0.145 0.000 1.286 35 Q CA 1.237 56.835 55.803 -0.342 0.000 0.872 35 Q CB -1.552 26.954 28.738 -0.386 0.000 1.193 35 Q HN 1.374 nan 8.270 nan 0.000 0.466 36 G N -2.737 105.990 108.800 -0.121 0.000 2.234 36 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 36 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 36 G C 0.178 175.022 174.900 -0.094 0.000 0.987 36 G CA 0.671 45.708 45.100 -0.106 0.000 0.625 36 G HN 0.824 nan 8.290 nan 0.000 0.532 37 K N 1.593 121.951 120.400 -0.069 0.000 2.159 37 K HA 0.823 5.143 4.320 -0.000 0.000 0.266 37 K C -2.438 173.955 176.600 -0.344 0.000 0.975 37 K CA -1.369 54.807 56.287 -0.186 0.000 0.865 37 K CB 1.463 33.860 32.500 -0.172 0.000 1.087 37 K HN 0.286 nan 8.250 nan 0.000 0.446 38 P HA 0.400 nan 4.420 nan 0.000 0.285 38 P C -1.378 175.254 177.300 -1.113 0.000 1.259 38 P CA -0.254 62.475 63.100 -0.617 0.000 0.794 38 P CB 0.372 31.783 31.700 -0.481 0.000 0.940 39 Y N 1.592 121.577 120.300 -0.526 0.000 2.462 39 Y HA 0.485 5.035 4.550 -0.000 0.000 0.346 39 Y C -0.094 175.330 175.900 -0.794 0.000 0.976 39 Y CA -0.576 57.188 58.100 -0.559 0.000 1.044 39 Y CB 1.928 40.259 38.460 -0.214 0.000 1.230 39 Y HN 0.289 nan 8.280 nan 0.000 0.455 40 Y N 2.112 122.141 120.300 -0.452 0.000 2.446 40 Y HA 0.671 5.221 4.550 0.000 0.000 0.345 40 Y C -1.178 174.230 175.900 -0.820 0.000 0.984 40 Y CA -1.680 56.192 58.100 -0.380 0.000 1.058 40 Y CB 1.420 39.784 38.460 -0.160 0.000 1.220 40 Y HN 0.367 nan 8.280 nan 0.000 0.455 41 F N 0.423 120.475 119.950 0.169 0.000 2.569 41 F HA 0.687 5.214 4.527 -0.000 0.000 0.312 41 F C -0.188 175.506 175.800 -0.176 0.000 1.109 41 F CA -0.974 56.948 58.000 -0.131 0.000 0.919 41 F CB 2.358 41.281 39.000 -0.128 0.000 1.211 41 F HN 0.395 nan 8.300 nan 0.000 0.446 42 T N -1.399 112.966 114.554 -0.316 0.000 2.903 42 T HA 0.682 5.032 4.350 -0.000 0.000 0.299 42 T C -1.581 172.970 174.700 -0.248 0.000 1.093 42 T CA -0.766 61.305 62.100 -0.049 0.000 1.002 42 T CB 1.915 70.828 68.868 0.075 0.000 1.127 42 T HN 0.620 nan 8.240 nan 0.000 0.488 43 W N 0.386 121.767 121.300 0.135 0.000 3.256 43 W HA 0.505 5.164 4.660 -0.000 0.000 0.324 43 W C 0.683 177.222 176.519 0.033 0.000 1.196 43 W CA -0.244 57.143 57.345 0.069 0.000 1.206 43 W CB 1.816 31.318 29.460 0.070 0.000 1.385 43 W HN 1.424 nan 8.180 nan 0.000 0.522 44 G N 1.448 110.320 108.800 0.120 0.000 2.593 44 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.237 44 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.237 44 G C -1.692 173.144 174.900 -0.107 0.000 1.312 44 G CA -0.587 44.454 45.100 -0.099 0.000 0.896 44 G HN 0.544 nan 8.290 nan 0.000 0.574 45 Y N 0.035 120.425 120.300 0.151 0.000 2.429 45 Y HA 0.563 5.113 4.550 -0.000 0.000 0.342 45 Y C 1.394 177.401 175.900 0.178 0.000 1.004 45 Y CA -0.317 57.864 58.100 0.137 0.000 1.075 45 Y CB 2.019 40.528 38.460 0.083 0.000 1.214 45 Y HN 0.844 nan 8.280 nan 0.000 0.455 46 A N 0.934 123.961 122.820 0.344 0.000 2.016 46 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 46 A C 0.225 178.007 177.584 0.330 0.000 1.162 46 A CA 1.450 53.632 52.037 0.242 0.000 0.662 46 A CB 0.004 19.083 19.000 0.131 0.000 0.812 46 A HN 0.674 nan 8.150 nan 0.000 0.450 47 D N -1.243 119.352 120.400 0.326 0.000 2.479 47 D HA 0.371 5.011 4.640 -0.000 0.000 0.246 47 D C 0.530 176.892 176.300 0.104 0.000 1.336 47 D CA -0.470 53.732 54.000 0.336 0.000 0.967 47 D CB 0.651 41.644 40.800 0.322 0.000 1.275 47 D HN 0.112 nan 8.370 nan 0.000 0.577 48 I N 2.216 122.840 120.570 0.089 0.000 2.202 48 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 48 I C 2.460 178.430 176.117 -0.244 0.000 1.091 48 I CA 1.086 62.285 61.300 -0.167 0.000 1.368 48 I CB -0.112 37.744 38.000 -0.241 0.000 1.058 48 I HN 0.456 nan 8.210 nan 0.000 0.410 49 A N 1.244 123.993 122.820 -0.119 0.000 1.873 49 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 49 A C 2.487 179.988 177.584 -0.138 0.000 1.193 49 A CA 2.817 54.780 52.037 -0.123 0.000 0.629 49 A CB -1.012 17.924 19.000 -0.107 0.000 0.826 49 A HN 0.399 nan 8.150 nan 0.000 0.447 50 K N -0.263 120.074 120.400 -0.105 0.000 2.487 50 K HA 0.161 4.481 4.320 -0.000 0.000 0.192 50 K C 0.817 177.321 176.600 -0.160 0.000 1.027 50 K CA 0.943 57.179 56.287 -0.085 0.000 1.054 50 K CB -0.886 31.612 32.500 -0.003 0.000 0.824 50 K HN 0.618 nan 8.250 nan 0.000 0.510 51 K N 0.495 120.671 120.400 -0.375 0.000 3.078 51 K HA -0.235 4.085 4.320 -0.000 0.000 0.261 51 K C 0.062 176.536 176.600 -0.210 0.000 0.947 51 K CA 0.872 56.724 56.287 -0.724 0.000 0.702 51 K CB -1.601 30.589 32.500 -0.518 0.000 1.318 51 K HN 0.825 nan 8.250 nan 0.000 0.473 52 Q N 1.288 121.066 119.800 -0.037 0.000 2.295 52 Q HA 0.156 4.496 4.340 -0.000 0.000 0.259 52 Q C -2.144 174.032 176.000 0.294 0.000 0.976 52 Q CA -1.920 53.959 55.803 0.127 0.000 0.923 52 Q CB 0.928 29.732 28.738 0.110 0.000 1.185 52 Q HN -0.002 nan 8.270 nan 0.000 0.410 53 P HA -0.011 nan 4.420 nan 0.000 0.274 53 P C -0.550 176.884 177.300 0.223 0.000 1.237 53 P CA -0.275 63.002 63.100 0.294 0.000 0.793 53 P CB 0.807 32.617 31.700 0.183 0.000 0.977 54 V N 2.164 122.217 119.914 0.232 0.000 2.585 54 V HA 0.193 4.313 4.120 -0.000 0.000 0.296 54 V C 1.244 177.450 176.094 0.187 0.000 1.035 54 V CA 0.834 63.285 62.300 0.252 0.000 1.084 54 V CB 0.124 32.177 31.823 0.384 0.000 0.953 54 V HN 0.888 nan 8.190 nan 0.000 0.483 55 T N 1.415 116.067 114.554 0.163 0.000 2.742 55 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 55 T C 0.432 175.181 174.700 0.082 0.000 1.025 55 T CA -0.742 61.411 62.100 0.089 0.000 1.020 55 T CB 1.642 70.534 68.868 0.040 0.000 1.317 55 T HN 0.415 nan 8.240 nan 0.000 0.538 56 Q N -0.396 119.392 119.800 -0.019 0.000 2.436 56 Q HA -0.029 4.311 4.340 -0.000 0.000 0.209 56 Q C 1.984 177.930 176.000 -0.090 0.000 0.965 56 Q CA 0.739 56.479 55.803 -0.105 0.000 0.910 56 Q CB 0.002 28.579 28.738 -0.267 0.000 0.980 56 Q HN 0.572 nan 8.270 nan 0.000 0.491 57 Q N -0.682 119.080 119.800 -0.064 0.000 2.319 57 Q HA 0.071 4.411 4.340 -0.000 0.000 0.202 57 Q C 0.409 176.396 176.000 -0.022 0.000 0.896 57 Q CA 0.185 55.922 55.803 -0.110 0.000 0.942 57 Q CB 0.693 29.349 28.738 -0.136 0.000 1.083 57 Q HN 0.344 nan 8.270 nan 0.000 0.510 58 T N 2.392 116.988 114.554 0.070 0.000 2.834 58 T HA 0.323 4.673 4.350 -0.000 0.000 0.298 58 T C -0.008 174.754 174.700 0.103 0.000 0.966 58 T CA -0.110 62.031 62.100 0.068 0.000 1.141 58 T CB 0.144 69.061 68.868 0.082 0.000 0.905 58 T HN 0.157 nan 8.240 nan 0.000 0.535 59 L N 4.374 125.608 121.223 0.019 0.000 2.331 59 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 59 L C -0.312 176.535 176.870 -0.039 0.000 1.106 59 L CA 0.033 54.889 54.840 0.026 0.000 0.824 59 L CB 0.205 42.194 42.059 -0.117 0.000 1.142 59 L HN 0.527 nan 8.230 nan 0.000 0.443 60 F N 0.803 120.783 119.950 0.050 0.000 2.492 60 F HA 0.386 4.913 4.527 0.000 0.000 0.327 60 F C 0.559 176.127 175.800 -0.387 0.000 1.079 60 F CA -0.903 57.079 58.000 -0.030 0.000 0.967 60 F CB 1.166 40.286 39.000 0.200 0.000 1.169 60 F HN 0.401 nan 8.300 nan 0.000 0.472 61 E N 2.824 122.497 120.200 -0.878 0.000 2.299 61 E HA 0.116 4.466 4.350 -0.000 0.000 0.272 61 E C 0.535 177.045 176.600 -0.149 0.000 1.043 61 E CA 0.005 56.066 56.400 -0.565 0.000 0.895 61 E CB 0.713 29.952 29.700 -0.769 0.000 1.011 61 E HN 0.622 nan 8.360 nan 0.000 0.432 62 L N 2.928 124.143 121.223 -0.013 0.000 2.418 62 L HA 0.051 4.391 4.340 -0.000 0.000 0.218 62 L C 1.442 178.406 176.870 0.157 0.000 1.125 62 L CA 0.520 55.426 54.840 0.110 0.000 0.835 62 L CB -0.809 41.319 42.059 0.115 0.000 0.953 62 L HN 0.897 nan 8.230 nan 0.000 0.454 63 G N 0.422 109.312 108.800 0.150 0.000 2.596 63 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.295 63 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.295 63 G C 0.795 175.839 174.900 0.242 0.000 1.240 63 G CA 0.335 45.563 45.100 0.213 0.000 0.985 63 G HN 0.202 nan 8.290 nan 0.000 0.555 64 S N -0.113 115.733 115.700 0.244 0.000 2.500 64 S HA 0.034 4.504 4.470 -0.000 0.000 0.239 64 S C 2.361 177.094 174.600 0.222 0.000 0.989 64 S CA 1.258 59.617 58.200 0.264 0.000 0.951 64 S CB -0.093 63.300 63.200 0.322 0.000 0.759 64 S HN 0.770 nan 8.310 nan 0.000 0.523 65 V N 1.775 121.811 119.914 0.203 0.000 2.867 65 V HA -0.150 3.970 4.120 -0.000 0.000 0.260 65 V C 2.127 178.346 176.094 0.208 0.000 1.099 65 V CA 1.493 63.896 62.300 0.172 0.000 1.122 65 V CB -0.870 31.084 31.823 0.218 0.000 0.708 65 V HN 0.465 nan 8.190 nan 0.000 0.490 66 S N -0.205 115.641 115.700 0.244 0.000 2.419 66 S HA -0.219 4.251 4.470 -0.000 0.000 0.235 66 S C 1.908 176.669 174.600 0.267 0.000 1.019 66 S CA 1.229 59.604 58.200 0.291 0.000 0.982 66 S CB -0.272 63.029 63.200 0.168 0.000 0.789 66 S HN 0.643 nan 8.310 nan 0.000 0.490 67 K N 1.005 121.516 120.400 0.185 0.000 2.211 67 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 67 K C 2.443 179.070 176.600 0.044 0.000 1.047 67 K CA 1.619 57.994 56.287 0.146 0.000 0.935 67 K CB -0.525 32.084 32.500 0.182 0.000 0.728 67 K HN 0.635 nan 8.250 nan 0.000 0.452 68 T N -1.247 113.235 114.554 -0.120 0.000 2.867 68 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 68 T C 1.731 176.411 174.700 -0.033 0.000 1.057 68 T CA 0.815 62.656 62.100 -0.431 0.000 1.136 68 T CB -0.352 67.855 68.868 -1.102 0.000 0.874 68 T HN 0.026 nan 8.240 nan 0.000 0.466 69 F N 2.024 122.015 119.950 0.068 0.000 2.206 69 F HA 0.083 4.610 4.527 0.000 0.000 0.298 69 F C 2.954 178.803 175.800 0.082 0.000 1.090 69 F CA 1.157 59.160 58.000 0.004 0.000 1.323 69 F CB -0.953 37.933 39.000 -0.190 0.000 1.028 69 F HN 0.138 nan 8.300 nan 0.000 0.492 70 T N -0.755 113.988 114.554 0.314 0.000 2.857 70 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 70 T C 2.357 177.243 174.700 0.311 0.000 1.048 70 T CA 1.271 63.572 62.100 0.334 0.000 1.139 70 T CB -0.836 68.229 68.868 0.327 0.000 0.874 70 T HN 0.419 nan 8.240 nan 0.000 0.455 71 G N 0.874 109.816 108.800 0.236 0.000 2.402 71 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 71 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 71 G C 1.658 176.705 174.900 0.245 0.000 1.162 71 G CA 0.615 45.845 45.100 0.216 0.000 0.777 71 G HN 0.424 nan 8.290 nan 0.000 0.539 72 V N 0.524 120.591 119.914 0.254 0.000 2.453 72 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 72 V C 2.625 178.835 176.094 0.193 0.000 1.048 72 V CA 1.380 63.840 62.300 0.268 0.000 1.049 72 V CB -0.150 31.926 31.823 0.420 0.000 0.672 72 V HN 0.344 nan 8.190 nan 0.000 0.457 73 L N 1.339 122.654 121.223 0.153 0.000 2.056 73 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 73 L C 2.315 179.200 176.870 0.025 0.000 1.078 73 L CA 2.396 57.250 54.840 0.023 0.000 0.749 73 L CB -1.252 40.746 42.059 -0.103 0.000 0.901 73 L HN 0.256 nan 8.230 nan 0.000 0.433 74 G N -1.069 107.805 108.800 0.124 0.000 2.418 74 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 74 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 74 G C 1.528 176.531 174.900 0.172 0.000 1.158 74 G CA 0.541 45.727 45.100 0.143 0.000 0.771 74 G HN 0.587 nan 8.290 nan 0.000 0.545 75 G N 0.694 109.606 108.800 0.188 0.000 2.440 75 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 75 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 75 G C 1.449 176.401 174.900 0.088 0.000 1.154 75 G CA 1.404 46.591 45.100 0.145 0.000 0.767 75 G HN 0.515 nan 8.290 nan 0.000 0.552 76 D N 0.484 120.923 120.400 0.065 0.000 2.144 76 D HA 0.060 4.699 4.640 -0.000 0.000 0.199 76 D C 2.634 178.934 176.300 -0.001 0.000 0.984 76 D CA 1.394 55.410 54.000 0.026 0.000 0.834 76 D CB -0.269 40.537 40.800 0.009 0.000 0.955 76 D HN 0.243 nan 8.370 nan 0.000 0.465 77 A N 0.009 122.817 122.820 -0.020 0.000 1.969 77 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 77 A C 2.309 179.879 177.584 -0.024 0.000 1.169 77 A CA 0.914 52.920 52.037 -0.052 0.000 0.635 77 A CB -0.687 18.244 19.000 -0.116 0.000 0.810 77 A HN 0.391 nan 8.150 nan 0.000 0.445 78 I N -0.261 120.317 120.570 0.013 0.000 2.202 78 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 78 I C 2.939 179.074 176.117 0.031 0.000 1.091 78 I CA 1.052 62.373 61.300 0.034 0.000 1.368 78 I CB -0.384 37.658 38.000 0.070 0.000 1.058 78 I HN 0.334 nan 8.210 nan 0.000 0.410 79 A N 0.838 123.676 122.820 0.030 0.000 1.972 79 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 79 A C 2.308 179.899 177.584 0.011 0.000 1.169 79 A CA 1.341 53.392 52.037 0.022 0.000 0.635 79 A CB -0.562 18.451 19.000 0.022 0.000 0.810 79 A HN 0.338 nan 8.150 nan 0.000 0.446 80 R N -1.305 119.197 120.500 0.002 0.000 2.339 80 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 80 R C 1.345 177.646 176.300 0.002 0.000 1.018 80 R CA 0.523 56.619 56.100 -0.005 0.000 1.036 80 R CB -0.275 30.013 30.300 -0.020 0.000 0.899 80 R HN 0.704 nan 8.270 nan 0.000 0.473 81 G N 1.079 109.885 108.800 0.011 0.000 2.155 81 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.257 81 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.257 81 G C 0.534 175.450 174.900 0.027 0.000 0.983 81 G CA 0.655 45.767 45.100 0.022 0.000 0.676 81 G HN 0.462 nan 8.290 nan 0.000 0.528 82 E N -0.601 119.604 120.200 0.009 0.000 2.216 82 E HA 0.252 4.602 4.350 -0.000 0.000 0.192 82 E C 1.467 178.086 176.600 0.032 0.000 0.988 82 E CA 1.155 57.561 56.400 0.009 0.000 0.834 82 E CB 0.141 29.820 29.700 -0.035 0.000 0.772 82 E HN 0.923 nan 8.360 nan 0.000 0.479 83 I N -2.914 117.655 120.570 -0.000 0.000 3.102 83 I HA 0.475 4.645 4.170 -0.000 0.000 0.310 83 I C -1.557 174.595 176.117 0.057 0.000 1.246 83 I CA -1.288 60.001 61.300 -0.018 0.000 0.979 83 I CB 2.284 40.088 38.000 -0.327 0.000 1.267 83 I HN -0.350 nan 8.210 nan 0.000 0.451 84 K N 2.677 123.154 120.400 0.128 0.000 2.426 84 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 84 K C -0.078 176.598 176.600 0.127 0.000 0.941 84 K CA -0.798 55.560 56.287 0.118 0.000 0.808 84 K CB 2.975 35.551 32.500 0.128 0.000 1.265 84 K HN 0.597 nan 8.250 nan 0.000 0.432 85 L N 0.957 122.235 121.223 0.092 0.000 2.291 85 L HA -0.124 4.216 4.340 -0.000 0.000 0.214 85 L C 1.937 178.840 176.870 0.055 0.000 1.120 85 L CA 1.079 55.957 54.840 0.063 0.000 0.799 85 L CB -0.195 41.850 42.059 -0.023 0.000 0.925 85 L HN 0.733 nan 8.230 nan 0.000 0.446 86 S N -2.364 113.378 115.700 0.069 0.000 2.515 86 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 86 S C 0.588 175.255 174.600 0.111 0.000 0.987 86 S CA -0.045 58.195 58.200 0.066 0.000 0.936 86 S CB -0.404 62.833 63.200 0.062 0.000 0.766 86 S HN 0.239 nan 8.310 nan 0.000 0.528 87 D N 3.528 124.032 120.400 0.172 0.000 2.341 87 D HA 0.367 5.007 4.640 -0.000 0.000 0.245 87 D C -2.624 173.817 176.300 0.236 0.000 1.106 87 D CA -1.808 52.318 54.000 0.209 0.000 0.905 87 D CB 0.724 41.713 40.800 0.316 0.000 1.202 87 D HN 0.117 nan 8.370 nan 0.000 0.426 88 P HA 0.015 nan 4.420 nan 0.000 0.267 88 P C 0.754 178.199 177.300 0.242 0.000 1.200 88 P CA 0.061 63.280 63.100 0.198 0.000 0.772 88 P CB 0.519 32.293 31.700 0.124 0.000 0.855 89 T N 0.504 115.237 114.554 0.298 0.000 2.833 89 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 89 T C 1.488 176.308 174.700 0.200 0.000 1.054 89 T CA 1.856 64.133 62.100 0.296 0.000 1.135 89 T CB -0.765 68.289 68.868 0.310 0.000 0.869 89 T HN 0.480 nan 8.240 nan 0.000 0.466 90 T N 1.461 116.088 114.554 0.123 0.000 2.962 90 T HA -0.019 4.331 4.350 -0.000 0.000 0.270 90 T C 1.842 176.535 174.700 -0.012 0.000 1.088 90 T CA 0.802 62.925 62.100 0.039 0.000 1.127 90 T CB -0.095 68.787 68.868 0.022 0.000 0.883 90 T HN 0.426 nan 8.240 nan 0.000 0.493 91 K N 0.454 120.784 120.400 -0.118 0.000 2.152 91 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 91 K C 0.982 177.288 176.600 -0.489 0.000 1.048 91 K CA 1.428 57.474 56.287 -0.402 0.000 0.933 91 K CB -0.085 31.983 32.500 -0.720 0.000 0.721 91 K HN 0.482 nan 8.250 nan 0.000 0.447 92 Y N -2.730 117.604 120.300 0.057 0.000 2.467 92 Y HA 0.149 4.699 4.550 -0.000 0.000 0.250 92 Y C 0.121 176.067 175.900 0.078 0.000 1.155 92 Y CA -0.796 57.322 58.100 0.029 0.000 1.249 92 Y CB 0.536 38.983 38.460 -0.022 0.000 1.146 92 Y HN 0.100 nan 8.280 nan 0.000 0.524 93 W N 2.896 124.189 121.300 -0.013 0.000 2.291 93 W HA 0.417 5.077 4.660 -0.000 0.000 0.288 93 W C -2.490 173.974 176.519 -0.092 0.000 0.976 93 W CA -3.741 53.559 57.345 -0.074 0.000 1.744 93 W CB 1.083 30.449 29.460 -0.156 0.000 1.815 93 W HN -0.077 nan 8.180 nan 0.000 0.396 94 P HA -0.192 nan 4.420 nan 0.000 0.216 94 P C 1.584 178.851 177.300 -0.055 0.000 1.150 94 P CA 3.191 66.314 63.100 0.039 0.000 0.843 94 P CB 0.119 31.848 31.700 0.047 0.000 0.787 95 E N -0.677 119.464 120.200 -0.100 0.000 2.516 95 E HA -0.051 4.299 4.350 -0.000 0.000 0.199 95 E C 0.970 177.284 176.600 -0.476 0.000 1.069 95 E CA 0.228 56.485 56.400 -0.238 0.000 0.876 95 E CB -1.229 28.370 29.700 -0.169 0.000 0.843 95 E HN 0.132 nan 8.360 nan 0.000 0.530 96 L N 2.254 123.094 121.223 -0.640 0.000 2.422 96 L HA 0.281 4.621 4.340 -0.000 0.000 0.256 96 L C 1.310 177.963 176.870 -0.362 0.000 1.202 96 L CA 0.841 55.238 54.840 -0.738 0.000 1.119 96 L CB 0.421 41.853 42.059 -1.045 0.000 1.383 96 L HN 0.162 nan 8.230 nan 0.000 0.411 97 T N -0.457 113.966 114.554 -0.218 0.000 3.023 97 T HA 0.416 4.766 4.350 -0.000 0.000 0.253 97 T C 0.877 175.587 174.700 0.017 0.000 1.038 97 T CA 0.233 62.288 62.100 -0.075 0.000 0.962 97 T CB 0.091 68.918 68.868 -0.067 0.000 1.018 97 T HN 0.508 nan 8.240 nan 0.000 0.521 98 A N 2.743 125.598 122.820 0.058 0.000 2.498 98 A HA 0.320 4.640 4.320 -0.000 0.000 0.239 98 A C 1.626 179.334 177.584 0.207 0.000 1.068 98 A CA -0.189 51.934 52.037 0.143 0.000 0.766 98 A CB 0.293 19.416 19.000 0.204 0.000 1.003 98 A HN 0.624 nan 8.150 nan 0.000 0.497 99 K N 1.616 122.083 120.400 0.112 0.000 2.209 99 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 99 K C 1.386 178.032 176.600 0.076 0.000 1.048 99 K CA 1.483 57.820 56.287 0.083 0.000 0.940 99 K CB -0.069 32.449 32.500 0.031 0.000 0.729 99 K HN 0.796 nan 8.250 nan 0.000 0.451 100 Q N 0.394 120.215 119.800 0.035 0.000 2.437 100 Q HA -0.152 4.188 4.340 -0.000 0.000 0.210 100 Q C 0.857 176.789 176.000 -0.114 0.000 0.972 100 Q CA 1.119 56.852 55.803 -0.116 0.000 0.903 100 Q CB -0.454 28.099 28.738 -0.308 0.000 0.967 100 Q HN 0.594 nan 8.270 nan 0.000 0.486 101 W N 1.561 122.917 121.300 0.092 0.000 3.003 101 W HA 0.172 4.832 4.660 -0.000 0.000 0.257 101 W C 0.056 176.643 176.519 0.113 0.000 1.308 101 W CA -0.573 56.855 57.345 0.137 0.000 1.529 101 W CB 0.076 29.604 29.460 0.115 0.000 1.115 101 W HN 0.033 nan 8.180 nan 0.000 0.659 102 N N 0.435 119.282 118.700 0.246 0.000 2.447 102 N HA 0.298 5.038 4.740 -0.000 0.000 0.263 102 N C 1.006 176.609 175.510 0.155 0.000 1.226 102 N CA 1.865 55.020 53.050 0.176 0.000 0.906 102 N CB 0.591 39.146 38.487 0.113 0.000 1.060 102 N HN 0.190 nan 8.380 nan 0.000 0.468 103 G N 1.758 110.669 108.800 0.186 0.000 2.176 103 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.232 103 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.232 103 G C 0.035 175.098 174.900 0.272 0.000 0.986 103 G CA -0.399 44.817 45.100 0.193 0.000 0.643 103 G HN 0.518 nan 8.290 nan 0.000 0.522 104 I N 2.818 123.578 120.570 0.316 0.000 2.312 104 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 104 I C 0.964 177.395 176.117 0.523 0.000 1.008 104 I CA -0.038 61.525 61.300 0.438 0.000 1.226 104 I CB 1.416 39.623 38.000 0.344 0.000 1.371 104 I HN 0.282 nan 8.210 nan 0.000 0.468 105 T N 2.859 117.777 114.554 0.606 0.000 2.937 105 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 105 T C 1.188 176.033 174.700 0.241 0.000 1.012 105 T CA -0.890 61.385 62.100 0.290 0.000 0.997 105 T CB 1.545 70.457 68.868 0.073 0.000 1.136 105 T HN 0.400 nan 8.240 nan 0.000 0.551 106 L N 0.322 121.676 121.223 0.218 0.000 2.127 106 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 106 L C 2.533 179.439 176.870 0.060 0.000 1.089 106 L CA 0.936 55.922 54.840 0.243 0.000 0.757 106 L CB -0.794 41.435 42.059 0.283 0.000 0.899 106 L HN 0.604 nan 8.230 nan 0.000 0.434 107 L N -0.278 120.906 121.223 -0.065 0.000 2.012 107 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 107 L C 2.400 179.214 176.870 -0.093 0.000 1.073 107 L CA 1.976 56.695 54.840 -0.202 0.000 0.748 107 L CB -0.635 41.290 42.059 -0.223 0.000 0.891 107 L HN 0.234 nan 8.230 nan 0.000 0.431 108 H N -1.023 118.125 119.070 0.131 0.000 2.321 108 H HA -0.138 4.418 4.556 0.000 0.000 0.300 108 H C 2.251 177.602 175.328 0.038 0.000 1.087 108 H CA 1.726 57.851 56.048 0.128 0.000 1.319 108 H CB -0.218 29.640 29.762 0.160 0.000 1.379 108 H HN 0.309 nan 8.280 nan 0.000 0.501 109 L N 0.215 121.548 121.223 0.184 0.000 2.012 109 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 109 L C 2.807 179.619 176.870 -0.096 0.000 1.073 109 L CA 0.982 55.892 54.840 0.117 0.000 0.748 109 L CB -0.539 41.654 42.059 0.224 0.000 0.891 109 L HN 0.370 nan 8.230 nan 0.000 0.431 110 A N -0.382 122.210 122.820 -0.380 0.000 2.015 110 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 110 A C 2.089 179.264 177.584 -0.681 0.000 1.163 110 A CA 1.961 53.504 52.037 -0.823 0.000 0.646 110 A CB -0.615 17.504 19.000 -1.469 0.000 0.806 110 A HN 0.527 nan 8.150 nan 0.000 0.448 111 T N -6.544 107.727 114.554 -0.472 0.000 3.129 111 T HA 0.321 4.671 4.350 -0.000 0.000 0.267 111 T C 0.198 174.684 174.700 -0.356 0.000 1.018 111 T CA 0.176 62.030 62.100 -0.410 0.000 0.903 111 T CB -0.487 68.447 68.868 0.111 0.000 1.067 111 T HN 0.627 nan 8.240 nan 0.000 0.549 112 Y N 1.018 121.313 120.300 -0.009 0.000 4.177 112 Y HA -0.253 4.297 4.550 0.000 0.000 0.227 112 Y C 1.223 177.093 175.900 -0.050 0.000 1.154 112 Y CA 0.545 58.637 58.100 -0.014 0.000 1.887 112 Y CB -3.153 35.311 38.460 0.007 0.000 1.594 112 Y HN 0.614 nan 8.280 nan 0.000 0.668 113 T N -4.403 110.159 114.554 0.013 0.000 3.215 113 T HA 0.679 5.029 4.350 -0.000 0.000 0.271 113 T C 1.485 176.176 174.700 -0.016 0.000 1.012 113 T CA 0.197 62.227 62.100 -0.118 0.000 0.899 113 T CB 0.542 69.109 68.868 -0.502 0.000 1.089 113 T HN 0.486 nan 8.240 nan 0.000 0.552 114 A N 1.326 124.193 122.820 0.079 0.000 2.119 114 A HA 0.566 4.886 4.320 -0.000 0.000 0.217 114 A C 1.890 179.542 177.584 0.113 0.000 1.153 114 A CA 0.634 52.699 52.037 0.046 0.000 0.692 114 A CB -0.753 18.269 19.000 0.037 0.000 0.799 114 A HN 1.412 nan 8.150 nan 0.000 0.458 115 G N -3.178 105.765 108.800 0.239 0.000 2.188 115 G HA2 0.408 4.368 3.960 -0.000 0.000 0.112 115 G HA3 0.408 4.368 3.960 -0.000 0.000 0.112 115 G C 0.968 176.189 174.900 0.534 0.000 1.048 115 G CA 0.351 45.690 45.100 0.398 0.000 0.720 115 G HN 1.961 nan 8.290 nan 0.000 0.487 116 G N -0.736 108.394 108.800 0.549 0.000 2.145 116 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.176 116 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.176 116 G C 0.468 175.609 174.900 0.401 0.000 1.013 116 G CA -0.042 45.331 45.100 0.456 0.000 0.689 116 G HN 1.268 nan 8.290 nan 0.000 0.506 117 L N 1.733 123.045 121.223 0.150 0.000 2.543 117 L HA 0.208 4.548 4.340 -0.000 0.000 0.285 117 L C -0.813 176.108 176.870 0.084 0.000 1.236 117 L CA -0.935 53.804 54.840 -0.169 0.000 0.871 117 L CB 0.279 42.177 42.059 -0.268 0.000 1.121 117 L HN 0.130 nan 8.230 nan 0.000 0.501 118 P HA 0.005 nan 4.420 nan 0.000 0.276 118 P C 0.471 177.830 177.300 0.099 0.000 1.244 118 P CA -0.623 62.571 63.100 0.156 0.000 0.801 118 P CB 1.175 33.002 31.700 0.212 0.000 1.006 119 L N 0.677 121.949 121.223 0.081 0.000 2.013 119 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 119 L C 0.830 177.716 176.870 0.027 0.000 1.073 119 L CA 2.074 56.941 54.840 0.044 0.000 0.753 119 L CB -0.751 41.351 42.059 0.071 0.000 0.890 119 L HN 0.354 nan 8.230 nan 0.000 0.432 120 Q N -0.346 119.472 119.800 0.029 0.000 2.306 120 Q HA 0.390 4.730 4.340 -0.000 0.000 0.265 120 Q C -0.726 175.235 176.000 -0.065 0.000 1.022 120 Q CA -0.865 54.936 55.803 -0.003 0.000 0.853 120 Q CB 1.958 30.687 28.738 -0.014 0.000 1.327 120 Q HN -0.046 nan 8.270 nan 0.000 0.449 121 V N 3.553 123.383 119.914 -0.139 0.000 2.572 121 V HA 0.105 4.225 4.120 -0.000 0.000 0.291 121 V C -1.904 173.999 176.094 -0.318 0.000 1.039 121 V CA -1.035 61.017 62.300 -0.414 0.000 1.055 121 V CB 0.196 31.797 31.823 -0.370 0.000 0.969 121 V HN 0.618 nan 8.190 nan 0.000 0.482 122 P HA 0.004 nan 4.420 nan 0.000 0.266 122 P C 0.538 177.754 177.300 -0.141 0.000 1.193 122 P CA 0.048 63.035 63.100 -0.189 0.000 0.770 122 P CB 0.506 32.121 31.700 -0.141 0.000 0.836 123 D N 1.136 121.496 120.400 -0.067 0.000 2.219 123 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 123 D C 1.098 177.378 176.300 -0.033 0.000 0.970 123 D CA 1.375 55.352 54.000 -0.038 0.000 0.851 123 D CB 0.040 40.832 40.800 -0.013 0.000 0.943 123 D HN 0.347 nan 8.370 nan 0.000 0.488 124 E N -0.730 119.449 120.200 -0.034 0.000 2.358 124 E HA 0.066 4.416 4.350 -0.000 0.000 0.195 124 E C 0.164 176.750 176.600 -0.023 0.000 1.010 124 E CA -0.008 56.383 56.400 -0.016 0.000 0.856 124 E CB 0.393 30.092 29.700 -0.001 0.000 0.795 124 E HN 0.064 nan 8.360 nan 0.000 0.504 125 V N 1.131 121.007 119.914 -0.063 0.000 2.446 125 V HA 0.229 4.349 4.120 -0.000 0.000 0.276 125 V C 0.991 177.061 176.094 -0.040 0.000 1.030 125 V CA 1.154 63.414 62.300 -0.065 0.000 1.033 125 V CB 0.528 32.244 31.823 -0.180 0.000 0.993 125 V HN 0.321 nan 8.190 nan 0.000 0.477 126 K N 3.646 124.043 120.400 -0.005 0.000 2.524 126 K HA 0.319 4.639 4.320 -0.000 0.000 0.210 126 K C 1.102 177.712 176.600 0.015 0.000 1.340 126 K CA 0.651 56.939 56.287 0.002 0.000 0.880 126 K CB -0.248 32.257 32.500 0.008 0.000 1.616 126 K HN 0.735 nan 8.250 nan 0.000 0.457 127 S N 1.061 116.779 115.700 0.031 0.000 2.624 127 S HA 0.206 4.676 4.470 -0.000 0.000 0.263 127 S C 1.499 176.139 174.600 0.067 0.000 1.287 127 S CA 0.249 58.473 58.200 0.041 0.000 0.990 127 S CB 1.423 64.649 63.200 0.044 0.000 0.950 127 S HN 0.880 nan 8.310 nan 0.000 0.561 128 S N 1.011 116.751 115.700 0.067 0.000 2.399 128 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 128 S C 1.801 176.505 174.600 0.173 0.000 1.022 128 S CA 1.258 59.522 58.200 0.106 0.000 0.983 128 S CB -1.163 62.082 63.200 0.074 0.000 0.803 128 S HN 0.652 nan 8.310 nan 0.000 0.480 129 S N 2.314 118.091 115.700 0.127 0.000 2.368 129 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 129 S C 1.518 176.200 174.600 0.137 0.000 1.029 129 S CA 1.327 59.603 58.200 0.126 0.000 0.988 129 S CB -0.570 62.680 63.200 0.083 0.000 0.838 129 S HN 0.568 nan 8.310 nan 0.000 0.462 130 D N 1.165 121.637 120.400 0.120 0.000 2.178 130 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 130 D C 1.794 178.203 176.300 0.182 0.000 0.974 130 D CA 0.448 54.520 54.000 0.120 0.000 0.841 130 D CB -0.347 40.499 40.800 0.076 0.000 0.953 130 D HN 0.182 nan 8.370 nan 0.000 0.478 131 L N 0.422 121.781 121.223 0.225 0.000 2.109 131 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 131 L C 2.035 179.229 176.870 0.540 0.000 1.086 131 L CA 0.978 56.032 54.840 0.357 0.000 0.760 131 L CB -0.539 41.730 42.059 0.349 0.000 0.910 131 L HN 0.002 nan 8.230 nan 0.000 0.437 132 L N -0.555 120.934 121.223 0.444 0.000 2.017 132 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 132 L C 2.643 179.579 176.870 0.111 0.000 1.073 132 L CA 1.671 56.639 54.840 0.213 0.000 0.745 132 L CB -0.594 41.532 42.059 0.112 0.000 0.894 132 L HN 0.178 nan 8.230 nan 0.000 0.432 133 R N -1.431 119.153 120.500 0.141 0.000 2.083 133 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 133 R C 2.243 178.633 176.300 0.150 0.000 1.137 133 R CA 1.943 58.110 56.100 0.113 0.000 0.951 133 R CB -0.802 29.564 30.300 0.110 0.000 0.851 133 R HN 0.421 nan 8.270 nan 0.000 0.434 134 F N 0.625 120.605 119.950 0.051 0.000 2.043 134 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 134 F C 1.801 177.639 175.800 0.064 0.000 1.121 134 F CA 1.592 59.586 58.000 -0.009 0.000 1.199 134 F CB -0.613 38.295 39.000 -0.153 0.000 0.968 134 F HN -0.042 nan 8.300 nan 0.000 0.478 135 Y N 0.495 120.859 120.300 0.107 0.000 2.224 135 Y HA -0.206 4.344 4.550 0.000 0.000 0.289 135 Y C 2.655 178.728 175.900 0.288 0.000 1.146 135 Y CA 1.611 59.801 58.100 0.149 0.000 1.182 135 Y CB -1.025 37.522 38.460 0.145 0.000 0.983 135 Y HN 0.168 nan 8.280 nan 0.000 0.524 136 Q N 0.105 120.025 119.800 0.200 0.000 2.170 136 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 136 Q C 1.287 177.394 176.000 0.177 0.000 0.976 136 Q CA 1.499 57.393 55.803 0.153 0.000 0.858 136 Q CB -0.516 28.217 28.738 -0.007 0.000 0.907 136 Q HN 0.687 nan 8.270 nan 0.000 0.433 137 N N -0.971 117.793 118.700 0.107 0.000 2.373 137 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 137 N C -0.036 175.475 175.510 0.003 0.000 1.082 137 N CA -0.411 52.661 53.050 0.037 0.000 0.885 137 N CB 0.177 38.673 38.487 0.015 0.000 0.977 137 N HN 0.168 nan 8.380 nan 0.000 0.462 138 W N 2.953 124.144 121.300 -0.181 0.000 2.251 138 W HA 0.073 4.733 4.660 -0.000 0.000 0.327 138 W C -0.577 175.827 176.519 -0.191 0.000 1.361 138 W CA 0.012 57.198 57.345 -0.264 0.000 1.234 138 W CB 0.563 29.809 29.460 -0.355 0.000 1.212 138 W HN -0.077 nan 8.180 nan 0.000 0.557 139 Q N 8.271 127.426 119.800 -1.075 0.000 2.331 139 Q HA 0.346 4.686 4.340 -0.000 0.000 0.267 139 Q C -2.069 173.005 176.000 -1.543 0.000 1.006 139 Q CA -1.993 53.142 55.803 -1.112 0.000 0.818 139 Q CB 1.578 29.979 28.738 -0.563 0.000 1.276 139 Q HN 0.392 nan 8.270 nan 0.000 0.450 140 P HA 0.137 nan 4.420 nan 0.000 0.274 140 P C -0.314 176.594 177.300 -0.653 0.000 1.237 140 P CA -0.030 62.411 63.100 -1.099 0.000 0.793 140 P CB 0.977 32.242 31.700 -0.726 0.000 0.977 141 A N 1.609 124.058 122.820 -0.619 0.000 2.095 141 A HA 0.153 4.473 4.320 -0.000 0.000 0.212 141 A C 0.346 177.274 177.584 -1.093 0.000 1.162 141 A CA 0.554 51.992 52.037 -0.998 0.000 0.753 141 A CB -0.155 17.890 19.000 -1.592 0.000 0.840 141 A HN 0.571 nan 8.150 nan 0.000 0.468 142 W N -2.652 118.606 121.300 -0.070 0.000 3.047 142 W HA 0.646 5.306 4.660 0.000 0.000 0.341 142 W C 0.004 176.471 176.519 -0.086 0.000 1.225 142 W CA -1.244 56.061 57.345 -0.067 0.000 1.150 142 W CB 0.944 30.378 29.460 -0.043 0.000 1.470 142 W HN 0.115 nan 8.180 nan 0.000 0.578 143 A N 2.352 125.269 122.820 0.163 0.000 2.406 143 A HA 0.550 4.870 4.320 -0.000 0.000 0.243 143 A C -2.233 175.364 177.584 0.022 0.000 1.082 143 A CA -0.817 51.250 52.037 0.050 0.000 0.786 143 A CB -0.760 18.264 19.000 0.040 0.000 1.029 143 A HN 0.131 nan 8.150 nan 0.000 0.495 144 P HA 0.316 nan 4.420 nan 0.000 0.271 144 P C 0.760 177.924 177.300 -0.226 0.000 1.216 144 P CA 1.465 64.388 63.100 -0.296 0.000 0.776 144 P CB 0.629 32.033 31.700 -0.494 0.000 0.881 145 G N 1.599 110.254 108.800 -0.243 0.000 2.160 145 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.251 145 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.251 145 G C 0.648 175.511 174.900 -0.063 0.000 1.008 145 G CA 0.744 45.872 45.100 0.048 0.000 0.724 145 G HN 0.702 nan 8.290 nan 0.000 0.514 146 T N -4.851 109.617 114.554 -0.144 0.000 3.019 146 T HA 0.434 4.784 4.350 -0.000 0.000 0.247 146 T C 0.575 175.119 174.700 -0.260 0.000 0.992 146 T CA 0.819 62.844 62.100 -0.124 0.000 1.036 146 T CB 0.605 69.443 68.868 -0.049 0.000 1.063 146 T HN 0.288 nan 8.240 nan 0.000 0.476 147 Q N 0.988 120.589 119.800 -0.332 0.000 2.347 147 Q HA 0.467 4.807 4.340 -0.000 0.000 0.271 147 Q C -1.328 174.460 176.000 -0.354 0.000 1.064 147 Q CA -0.516 55.001 55.803 -0.478 0.000 0.800 147 Q CB 3.118 31.249 28.738 -1.011 0.000 1.304 147 Q HN 0.363 nan 8.270 nan 0.000 0.438 148 R N 2.316 122.637 120.500 -0.299 0.000 2.221 148 R HA 0.442 4.782 4.340 -0.000 0.000 0.327 148 R C -1.081 175.188 176.300 -0.051 0.000 1.033 148 R CA -0.500 55.518 56.100 -0.136 0.000 0.887 148 R CB 0.365 30.620 30.300 -0.075 0.000 1.057 148 R HN 0.451 nan 8.270 nan 0.000 0.455 149 L N 6.399 127.666 121.223 0.074 0.000 2.366 149 L HA 0.248 4.588 4.340 -0.000 0.000 0.266 149 L C -1.196 175.708 176.870 0.057 0.000 1.010 149 L CA -0.709 54.202 54.840 0.117 0.000 0.879 149 L CB 0.764 42.985 42.059 0.270 0.000 1.228 149 L HN 0.594 nan 8.230 nan 0.000 0.439 150 Y N 4.722 124.888 120.300 -0.222 0.000 2.895 150 Y HA 0.291 4.841 4.550 -0.000 0.000 0.334 150 Y C 0.090 175.780 175.900 -0.350 0.000 1.261 150 Y CA 0.982 58.710 58.100 -0.621 0.000 1.560 150 Y CB 0.424 38.608 38.460 -0.460 0.000 1.253 150 Y HN 0.806 nan 8.280 nan 0.000 0.582 151 A N 5.670 127.967 122.820 -0.873 0.000 2.512 151 A HA 0.268 4.588 4.320 -0.000 0.000 0.294 151 A C -0.137 177.303 177.584 -0.241 0.000 1.054 151 A CA -0.869 50.972 52.037 -0.328 0.000 0.756 151 A CB 0.726 19.706 19.000 -0.033 0.000 1.293 151 A HN 0.787 nan 8.150 nan 0.000 0.395 152 N N 1.171 119.787 118.700 -0.140 0.000 2.244 152 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 152 N C 2.021 177.579 175.510 0.081 0.000 1.016 152 N CA 1.918 54.972 53.050 0.008 0.000 0.866 152 N CB -0.070 38.484 38.487 0.112 0.000 0.980 152 N HN 0.861 nan 8.380 nan 0.000 0.430 153 S N -0.923 114.838 115.700 0.102 0.000 2.481 153 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 153 S C 2.005 176.773 174.600 0.279 0.000 0.996 153 S CA 0.926 59.255 58.200 0.215 0.000 0.942 153 S CB 0.002 63.336 63.200 0.224 0.000 0.768 153 S HN 0.198 nan 8.310 nan 0.000 0.520 154 S N 1.224 117.038 115.700 0.189 0.000 2.324 154 S HA 0.238 4.708 4.470 -0.000 0.000 0.210 154 S C 1.653 176.353 174.600 0.167 0.000 1.027 154 S CA 0.499 58.812 58.200 0.189 0.000 0.945 154 S CB -0.620 62.715 63.200 0.224 0.000 0.908 154 S HN 0.563 nan 8.310 nan 0.000 0.496 155 I N 1.328 121.998 120.570 0.168 0.000 2.493 155 I HA -0.004 4.166 4.170 -0.000 0.000 0.254 155 I C 2.161 178.358 176.117 0.134 0.000 1.160 155 I CA 1.176 62.557 61.300 0.134 0.000 1.445 155 I CB -0.711 37.346 38.000 0.095 0.000 1.086 155 I HN 0.496 nan 8.210 nan 0.000 0.433 156 G N 1.197 110.040 108.800 0.071 0.000 2.491 156 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 156 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 156 G C 1.542 176.399 174.900 -0.072 0.000 1.180 156 G CA 1.138 46.215 45.100 -0.038 0.000 0.774 156 G HN 0.395 nan 8.290 nan 0.000 0.562 157 L N -0.252 120.978 121.223 0.012 0.000 2.046 157 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 157 L C 2.472 179.296 176.870 -0.075 0.000 1.077 157 L CA 1.684 56.473 54.840 -0.086 0.000 0.747 157 L CB -0.768 41.199 42.059 -0.154 0.000 0.896 157 L HN 0.245 nan 8.230 nan 0.000 0.432 158 F N 0.345 120.236 119.950 -0.098 0.000 2.120 158 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 158 F C 2.142 177.880 175.800 -0.104 0.000 1.095 158 F CA 1.891 59.836 58.000 -0.091 0.000 1.249 158 F CB -1.000 37.959 39.000 -0.069 0.000 0.995 158 F HN 0.124 nan 8.300 nan 0.000 0.480 159 G N -0.535 108.154 108.800 -0.184 0.000 2.402 159 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 159 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 159 G C 1.803 176.547 174.900 -0.259 0.000 1.162 159 G CA 0.770 45.729 45.100 -0.235 0.000 0.777 159 G HN 0.643 nan 8.290 nan 0.000 0.539 160 A N 0.380 122.995 122.820 -0.342 0.000 1.930 160 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 160 A C 2.388 179.791 177.584 -0.302 0.000 1.175 160 A CA 1.056 52.908 52.037 -0.308 0.000 0.627 160 A CB -0.276 18.508 19.000 -0.361 0.000 0.815 160 A HN 0.355 nan 8.150 nan 0.000 0.443 161 L N -1.134 119.880 121.223 -0.348 0.000 2.179 161 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 161 L C 2.991 179.611 176.870 -0.417 0.000 1.096 161 L CA 0.770 55.411 54.840 -0.331 0.000 0.779 161 L CB -0.551 41.364 42.059 -0.239 0.000 0.922 161 L HN 0.400 nan 8.230 nan 0.000 0.443 162 A N 0.453 122.935 122.820 -0.564 0.000 1.972 162 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 162 A C 2.136 179.501 177.584 -0.366 0.000 1.169 162 A CA 1.858 53.528 52.037 -0.611 0.000 0.635 162 A CB -0.701 17.783 19.000 -0.859 0.000 0.810 162 A HN 0.341 nan 8.150 nan 0.000 0.446 163 V N -3.991 115.771 119.914 -0.253 0.000 3.623 163 V HA 0.075 4.195 4.120 -0.000 0.000 0.271 163 V C 1.675 177.686 176.094 -0.139 0.000 1.248 163 V CA 0.917 63.114 62.300 -0.171 0.000 1.156 163 V CB -0.434 31.319 31.823 -0.116 0.000 0.870 163 V HN 0.186 nan 8.190 nan 0.000 0.453 164 K N 1.672 121.983 120.400 -0.148 0.000 2.032 164 K HA -0.035 4.285 4.320 -0.000 0.000 0.209 164 K C 0.223 176.800 176.600 -0.039 0.000 1.048 164 K CA 1.924 58.159 56.287 -0.086 0.000 0.927 164 K CB -1.944 30.524 32.500 -0.052 0.000 0.712 164 K HN 0.469 nan 8.250 nan 0.000 0.441 165 P HA -0.088 nan 4.420 nan 0.000 0.220 165 P C 1.274 178.561 177.300 -0.022 0.000 1.148 165 P CA 1.363 64.469 63.100 0.010 0.000 0.803 165 P CB -0.056 31.663 31.700 0.031 0.000 0.782 166 S N -1.503 114.165 115.700 -0.054 0.000 2.515 166 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 166 S C 1.858 176.426 174.600 -0.054 0.000 0.987 166 S CA 0.711 58.876 58.200 -0.059 0.000 0.936 166 S CB -1.536 61.612 63.200 -0.087 0.000 0.766 166 S HN 0.275 nan 8.310 nan 0.000 0.528 167 G N 0.881 109.652 108.800 -0.050 0.000 2.186 167 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.266 167 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.266 167 G C 0.008 174.875 174.900 -0.055 0.000 0.982 167 G CA 0.836 45.909 45.100 -0.045 0.000 0.670 167 G HN 0.593 nan 8.290 nan 0.000 0.533 168 L N 1.091 122.271 121.223 -0.072 0.000 2.421 168 L HA 0.566 4.906 4.340 -0.000 0.000 0.263 168 L C 1.466 178.289 176.870 -0.078 0.000 1.122 168 L CA -0.281 54.511 54.840 -0.081 0.000 0.804 168 L CB 1.304 43.297 42.059 -0.110 0.000 1.150 168 L HN 0.362 nan 8.230 nan 0.000 0.457 169 S N 0.367 116.026 115.700 -0.068 0.000 2.600 169 S HA 0.051 4.521 4.470 -0.000 0.000 0.265 169 S C 0.808 175.380 174.600 -0.047 0.000 1.325 169 S CA -0.368 57.807 58.200 -0.042 0.000 1.002 169 S CB 0.498 63.680 63.200 -0.029 0.000 0.921 169 S HN 0.551 nan 8.310 nan 0.000 0.554 170 F N 1.127 120.991 119.950 -0.143 0.000 2.134 170 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 170 F C 2.486 178.180 175.800 -0.175 0.000 1.097 170 F CA 2.159 60.058 58.000 -0.168 0.000 1.264 170 F CB -0.456 38.442 39.000 -0.170 0.000 1.001 170 F HN 0.937 nan 8.300 nan 0.000 0.479 171 E N -0.460 119.700 120.200 -0.067 0.000 2.085 171 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 171 E C 2.163 178.617 176.600 -0.243 0.000 0.994 171 E CA 1.456 57.767 56.400 -0.148 0.000 0.801 171 E CB -0.097 29.605 29.700 0.003 0.000 0.743 171 E HN 0.410 nan 8.360 nan 0.000 0.453 172 Q N -0.126 119.567 119.800 -0.179 0.000 2.119 172 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 172 Q C 2.082 177.928 176.000 -0.256 0.000 0.972 172 Q CA 1.323 57.021 55.803 -0.175 0.000 0.847 172 Q CB -0.394 28.277 28.738 -0.112 0.000 0.903 172 Q HN 0.379 nan 8.270 nan 0.000 0.433 173 A N 0.711 123.345 122.820 -0.310 0.000 1.858 173 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 173 A C 2.175 179.469 177.584 -0.483 0.000 1.190 173 A CA 1.914 53.740 52.037 -0.351 0.000 0.617 173 A CB -0.535 18.252 19.000 -0.355 0.000 0.827 173 A HN 0.342 nan 8.150 nan 0.000 0.443 174 M N -0.187 118.983 119.600 -0.716 0.000 2.108 174 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 174 M C 2.160 177.867 176.300 -0.988 0.000 1.066 174 M CA 2.047 56.781 55.300 -0.942 0.000 1.107 174 M CB -0.547 31.335 32.600 -1.196 0.000 1.356 174 M HN 0.540 nan 8.290 nan 0.000 0.406 175 Q N -1.252 118.129 119.800 -0.698 0.000 2.046 175 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 175 Q C 1.968 177.792 176.000 -0.292 0.000 0.975 175 Q CA 2.279 57.817 55.803 -0.443 0.000 0.836 175 Q CB -0.347 28.240 28.738 -0.252 0.000 0.896 175 Q HN 0.776 nan 8.270 nan 0.000 0.428 176 T N -2.031 112.370 114.554 -0.256 0.000 3.014 176 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 176 T C 1.689 176.297 174.700 -0.154 0.000 1.078 176 T CA 0.424 62.423 62.100 -0.168 0.000 1.135 176 T CB 0.052 68.837 68.868 -0.138 0.000 0.895 176 T HN 0.116 nan 8.240 nan 0.000 0.480 177 R N 0.001 120.378 120.500 -0.205 0.000 2.265 177 R HA 0.370 4.710 4.340 -0.000 0.000 0.194 177 R C 1.511 177.742 176.300 -0.114 0.000 0.931 177 R CA 0.287 56.296 56.100 -0.151 0.000 1.032 177 R CB 0.413 30.616 30.300 -0.163 0.000 0.980 177 R HN 0.308 nan 8.270 nan 0.000 0.497 178 V N -1.209 118.599 119.914 -0.176 0.000 3.161 178 V HA 0.033 4.153 4.120 -0.000 0.000 0.221 178 V C 1.340 177.482 176.094 0.081 0.000 1.296 178 V CA 0.369 62.645 62.300 -0.040 0.000 1.306 178 V CB -0.339 31.435 31.823 -0.082 0.000 1.171 178 V HN -0.035 nan 8.190 nan 0.000 0.513 179 F N 1.682 121.556 119.950 -0.128 0.000 2.075 179 F HA -0.142 4.385 4.527 0.000 0.000 0.297 179 F C 2.627 178.341 175.800 -0.144 0.000 1.113 179 F CA 1.550 59.440 58.000 -0.184 0.000 1.218 179 F CB -1.232 37.548 39.000 -0.368 0.000 0.984 179 F HN 0.195 nan 8.300 nan 0.000 0.472 180 Q N -0.193 119.626 119.800 0.033 0.000 2.020 180 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 180 Q C -0.375 175.624 176.000 -0.001 0.000 0.982 180 Q CA 1.739 57.528 55.803 -0.023 0.000 0.838 180 Q CB -1.571 27.130 28.738 -0.062 0.000 0.899 180 Q HN 0.278 nan 8.270 nan 0.000 0.423 181 P HA -0.130 nan 4.420 nan 0.000 0.222 181 P C 0.600 177.926 177.300 0.044 0.000 1.147 181 P CA 1.181 64.291 63.100 0.017 0.000 0.790 181 P CB 0.074 31.784 31.700 0.016 0.000 0.780 182 L N -1.634 119.640 121.223 0.085 0.000 2.607 182 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 182 L C 0.399 177.319 176.870 0.082 0.000 1.123 182 L CA 0.014 54.923 54.840 0.115 0.000 0.890 182 L CB -0.505 41.694 42.059 0.233 0.000 1.103 182 L HN -0.100 nan 8.230 nan 0.000 0.468 183 K N 0.916 121.338 120.400 0.038 0.000 3.117 183 K HA -0.164 4.156 4.320 -0.000 0.000 0.269 183 K C -0.346 176.247 176.600 -0.013 0.000 1.098 183 K CA 0.367 56.654 56.287 0.000 0.000 0.785 183 K CB -1.799 30.706 32.500 0.008 0.000 1.242 183 K HN 0.303 nan 8.250 nan 0.000 0.491 184 L N 1.146 122.352 121.223 -0.029 0.000 2.375 184 L HA 0.148 4.488 4.340 -0.000 0.000 0.276 184 L C 0.964 177.666 176.870 -0.280 0.000 1.162 184 L CA -0.500 54.272 54.840 -0.114 0.000 0.991 184 L CB 0.179 42.148 42.059 -0.150 0.000 1.315 184 L HN 0.146 nan 8.230 nan 0.000 0.431 185 N N 0.464 119.006 118.700 -0.264 0.000 2.336 185 N HA 0.010 4.750 4.740 -0.000 0.000 0.189 185 N C 0.511 175.559 175.510 -0.769 0.000 1.113 185 N CA 0.478 53.247 53.050 -0.467 0.000 0.858 185 N CB 0.301 38.545 38.487 -0.405 0.000 0.970 185 N HN 0.513 nan 8.380 nan 0.000 0.471 186 H N -0.874 118.079 119.070 -0.194 0.000 2.651 186 H HA 0.279 4.835 4.556 -0.000 0.000 0.241 186 H C -0.402 174.793 175.328 -0.221 0.000 1.225 186 H CA -0.093 55.903 56.048 -0.087 0.000 0.942 186 H CB 0.374 30.123 29.762 -0.021 0.000 1.996 186 H HN -0.148 nan 8.280 nan 0.000 0.600 187 T N 0.821 115.026 114.554 -0.582 0.000 2.841 187 T HA 0.348 4.698 4.350 -0.000 0.000 0.285 187 T C -0.754 173.194 174.700 -1.252 0.000 0.991 187 T CA -0.443 61.132 62.100 -0.875 0.000 0.966 187 T CB 1.481 69.623 68.868 -1.210 0.000 0.962 187 T HN 0.239 nan 8.240 nan 0.000 0.438 188 W N 1.832 122.781 121.300 -0.584 0.000 3.127 188 W HA 0.545 5.205 4.660 0.000 0.000 0.330 188 W C 0.579 176.949 176.519 -0.248 0.000 1.187 188 W CA -0.805 56.343 57.345 -0.329 0.000 1.198 188 W CB 1.254 30.541 29.460 -0.289 0.000 1.408 188 W HN 0.505 nan 8.180 nan 0.000 0.529 189 I N 1.474 122.160 120.570 0.194 0.000 2.494 189 I HA -0.026 4.144 4.170 -0.000 0.000 0.250 189 I C 0.320 176.466 176.117 0.048 0.000 1.112 189 I CA 0.778 62.133 61.300 0.092 0.000 1.438 189 I CB -0.016 38.058 38.000 0.122 0.000 1.111 189 I HN 0.268 nan 8.210 nan 0.000 0.431 190 N N 1.403 120.170 118.700 0.110 0.000 2.476 190 N HA 0.243 4.983 4.740 -0.000 0.000 0.257 190 N C -0.829 174.588 175.510 -0.155 0.000 0.970 190 N CA -0.209 52.828 53.050 -0.020 0.000 0.938 190 N CB 2.606 41.086 38.487 -0.012 0.000 1.144 190 N HN -0.195 nan 8.380 nan 0.000 0.500 191 V N 4.944 124.675 119.914 -0.305 0.000 2.479 191 V HA 0.124 4.244 4.120 -0.000 0.000 0.281 191 V C -1.477 174.274 176.094 -0.571 0.000 1.031 191 V CA -0.835 61.139 62.300 -0.543 0.000 1.038 191 V CB 0.367 31.839 31.823 -0.584 0.000 0.981 191 V HN 0.520 nan 8.190 nan 0.000 0.478 192 P HA 0.286 nan 4.420 nan 0.000 0.276 192 P C -2.323 174.744 177.300 -0.390 0.000 1.252 192 P CA -1.896 60.816 63.100 -0.646 0.000 0.802 192 P CB 0.545 31.703 31.700 -0.904 0.000 1.035 193 P HA -0.187 nan 4.420 nan 0.000 0.216 193 P C 1.438 178.660 177.300 -0.131 0.000 1.150 193 P CA 2.100 65.111 63.100 -0.149 0.000 0.843 193 P CB -0.476 31.160 31.700 -0.106 0.000 0.787 194 A N -0.251 122.478 122.820 -0.151 0.000 2.019 194 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 194 A C 2.009 179.543 177.584 -0.084 0.000 1.164 194 A CA 1.422 53.401 52.037 -0.096 0.000 0.644 194 A CB -0.720 18.235 19.000 -0.075 0.000 0.805 194 A HN 0.114 nan 8.150 nan 0.000 0.449 195 E N -0.494 119.614 120.200 -0.153 0.000 2.472 195 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 195 E C 1.382 177.934 176.600 -0.080 0.000 1.033 195 E CA 0.127 56.459 56.400 -0.114 0.000 0.886 195 E CB -0.039 29.543 29.700 -0.197 0.000 0.944 195 E HN 0.741 nan 8.360 nan 0.000 0.492 196 E N 1.413 121.567 120.200 -0.077 0.000 2.130 196 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 196 E C 1.997 178.607 176.600 0.017 0.000 0.998 196 E CA 1.514 57.908 56.400 -0.011 0.000 0.806 196 E CB -0.122 29.569 29.700 -0.015 0.000 0.738 196 E HN 0.248 nan 8.360 nan 0.000 0.459 197 K N 0.304 120.709 120.400 0.009 0.000 2.283 197 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 197 K C 1.299 177.918 176.600 0.031 0.000 1.048 197 K CA 1.240 57.542 56.287 0.026 0.000 0.948 197 K CB 0.065 32.577 32.500 0.020 0.000 0.742 197 K HN -0.017 nan 8.250 nan 0.000 0.458 198 N N -0.104 118.611 118.700 0.025 0.000 2.299 198 N HA -0.058 4.682 4.740 -0.000 0.000 0.187 198 N C -0.637 174.904 175.510 0.051 0.000 1.099 198 N CA 0.105 53.171 53.050 0.026 0.000 0.867 198 N CB 0.112 38.602 38.487 0.005 0.000 0.974 198 N HN 0.189 nan 8.380 nan 0.000 0.477 199 Y N 2.978 123.194 120.300 -0.141 0.000 2.539 199 Y HA 0.411 4.961 4.550 0.000 0.000 0.352 199 Y C 0.234 176.017 175.900 -0.196 0.000 1.004 199 Y CA -1.784 56.188 58.100 -0.214 0.000 1.278 199 Y CB -0.568 37.700 38.460 -0.319 0.000 1.136 199 Y HN -0.041 nan 8.280 nan 0.000 0.528 200 A N 6.077 128.942 122.820 0.075 0.000 2.466 200 A HA 0.127 4.447 4.320 -0.000 0.000 0.238 200 A C -0.558 177.013 177.584 -0.022 0.000 1.074 200 A CA -0.293 51.747 52.037 0.005 0.000 0.774 200 A CB 0.100 19.038 19.000 -0.102 0.000 1.015 200 A HN 0.871 nan 8.150 nan 0.000 0.498 201 W N 0.447 121.747 121.300 -0.001 0.000 2.261 201 W HA 0.483 5.143 4.660 0.000 0.000 0.323 201 W C 0.904 177.113 176.519 -0.518 0.000 1.243 201 W CA 0.505 57.668 57.345 -0.304 0.000 1.210 201 W CB 1.023 30.144 29.460 -0.564 0.000 1.149 201 W HN 0.930 nan 8.180 nan 0.000 0.562 202 G N 1.286 109.879 108.800 -0.344 0.000 2.476 202 G HA2 0.484 4.444 3.960 -0.000 0.000 0.286 202 G HA3 0.484 4.444 3.960 -0.000 0.000 0.286 202 G C -2.110 172.364 174.900 -0.710 0.000 1.177 202 G CA -0.505 44.116 45.100 -0.800 0.000 0.870 202 G HN 0.417 nan 8.290 nan 0.000 0.528 203 Y N -0.215 119.997 120.300 -0.146 0.000 2.326 203 Y HA 0.505 5.055 4.550 -0.000 0.000 0.329 203 Y C 0.471 176.361 175.900 -0.017 0.000 0.973 203 Y CA -0.773 57.296 58.100 -0.052 0.000 1.162 203 Y CB 2.080 40.517 38.460 -0.038 0.000 1.147 203 Y HN 0.497 nan 8.280 nan 0.000 0.456 204 R N 1.273 121.828 120.500 0.092 0.000 2.409 204 R HA 0.369 4.709 4.340 -0.000 0.000 0.313 204 R C -0.326 176.017 176.300 0.072 0.000 0.953 204 R CA -0.205 55.943 56.100 0.079 0.000 0.849 204 R CB 0.952 31.285 30.300 0.055 0.000 1.171 204 R HN 0.670 nan 8.270 nan 0.000 0.458 205 E N 2.348 122.590 120.200 0.069 0.000 2.328 205 E HA -0.217 4.133 4.350 -0.000 0.000 0.233 205 E C 0.893 177.524 176.600 0.051 0.000 1.219 205 E CA 1.186 57.615 56.400 0.049 0.000 0.717 205 E CB -1.869 27.851 29.700 0.033 0.000 1.210 205 E HN 1.227 nan 8.360 nan 0.000 0.381 206 G N -2.576 106.274 108.800 0.083 0.000 2.205 206 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 206 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 206 G C 0.362 175.343 174.900 0.135 0.000 0.980 206 G CA 1.057 46.208 45.100 0.085 0.000 0.632 206 G HN 1.553 nan 8.290 nan 0.000 0.533 207 K N -0.002 120.457 120.400 0.099 0.000 2.156 207 K HA 0.939 5.259 4.320 -0.000 0.000 0.271 207 K C 0.352 176.915 176.600 -0.061 0.000 0.995 207 K CA 0.466 56.764 56.287 0.018 0.000 0.890 207 K CB 1.286 33.770 32.500 -0.028 0.000 1.073 207 K HN 1.909 nan 8.250 nan 0.000 0.454 208 A N 1.256 123.931 122.820 -0.243 0.000 2.409 208 A HA 0.575 4.895 4.320 -0.000 0.000 0.267 208 A C 0.259 177.620 177.584 -0.371 0.000 1.127 208 A CA 0.214 51.887 52.037 -0.607 0.000 0.795 208 A CB -0.490 17.948 19.000 -0.937 0.000 1.061 208 A HN 1.866 nan 8.150 nan 0.000 0.502 209 V N 1.004 120.830 119.914 -0.146 0.000 2.932 209 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 209 V C -0.747 175.473 176.094 0.210 0.000 1.147 209 V CA -0.820 61.520 62.300 0.066 0.000 0.951 209 V CB 1.060 32.911 31.823 0.047 0.000 1.031 209 V HN 0.966 nan 8.190 nan 0.000 0.426 210 H N 1.126 120.354 119.070 0.263 0.000 2.573 210 H HA 0.684 5.240 4.556 0.000 0.000 0.351 210 H C -0.200 175.232 175.328 0.172 0.000 1.163 210 H CA -0.936 55.197 56.048 0.143 0.000 1.205 210 H CB 2.274 31.989 29.762 -0.078 0.000 1.605 210 H HN 0.801 nan 8.280 nan 0.000 0.525 211 V N 2.377 122.488 119.914 0.328 0.000 2.694 211 V HA -0.038 4.082 4.120 -0.000 0.000 0.306 211 V C -0.116 176.102 176.094 0.207 0.000 1.054 211 V CA 0.388 62.834 62.300 0.243 0.000 1.161 211 V CB 0.671 32.638 31.823 0.241 0.000 0.916 211 V HN 0.742 nan 8.190 nan 0.000 0.490 212 S N 7.319 123.123 115.700 0.173 0.000 2.610 212 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 212 S C -2.253 172.435 174.600 0.146 0.000 1.274 212 S CA -0.684 57.600 58.200 0.140 0.000 1.023 212 S CB 1.101 64.365 63.200 0.106 0.000 0.962 212 S HN 0.856 nan 8.310 nan 0.000 0.523 213 P HA 0.408 nan 4.420 nan 0.000 0.267 213 P C -0.145 177.208 177.300 0.089 0.000 1.200 213 P CA 0.010 63.158 63.100 0.080 0.000 0.772 213 P CB 0.316 32.046 31.700 0.050 0.000 0.855 214 G N -0.173 108.668 108.800 0.069 0.000 2.632 214 G HA2 0.536 4.496 3.960 -0.000 0.000 0.292 214 G HA3 0.536 4.496 3.960 -0.000 0.000 0.292 214 G C -1.463 173.440 174.900 0.005 0.000 1.465 214 G CA -0.361 44.784 45.100 0.074 0.000 0.824 214 G HN 0.524 nan 8.290 nan 0.000 0.509 215 A N 0.436 123.250 122.820 -0.009 0.000 2.511 215 A HA 0.559 4.879 4.320 -0.000 0.000 0.242 215 A C 1.444 178.980 177.584 -0.080 0.000 1.069 215 A CA 0.586 52.596 52.037 -0.046 0.000 0.763 215 A CB -0.393 18.576 19.000 -0.053 0.000 1.001 215 A HN 1.800 nan 8.150 nan 0.000 0.498 216 L N 0.445 121.585 121.223 -0.137 0.000 4.001 216 L HA -0.328 4.012 4.340 -0.000 0.000 0.413 216 L C 1.148 177.791 176.870 -0.379 0.000 1.185 216 L CA 0.674 55.379 54.840 -0.224 0.000 0.963 216 L CB -1.830 40.152 42.059 -0.129 0.000 1.976 216 L HN 0.996 nan 8.230 nan 0.000 0.939 217 D N 0.233 120.375 120.400 -0.431 0.000 2.097 217 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 217 D C 1.991 177.865 176.300 -0.710 0.000 0.989 217 D CA 1.413 54.877 54.000 -0.895 0.000 0.827 217 D CB -0.148 40.354 40.800 -0.497 0.000 0.966 217 D HN 0.431 nan 8.370 nan 0.000 0.456 218 A N 0.895 123.478 122.820 -0.395 0.000 1.892 218 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 218 A C 2.128 179.515 177.584 -0.328 0.000 1.188 218 A CA 2.182 54.073 52.037 -0.244 0.000 0.631 218 A CB -0.766 18.176 19.000 -0.097 0.000 0.822 218 A HN 0.238 nan 8.150 nan 0.000 0.447 219 E N -0.474 119.345 120.200 -0.635 0.000 2.152 219 E HA 0.139 4.489 4.350 -0.000 0.000 0.192 219 E C 1.962 178.406 176.600 -0.261 0.000 0.983 219 E CA 1.208 57.172 56.400 -0.726 0.000 0.818 219 E CB -0.245 28.946 29.700 -0.848 0.000 0.758 219 E HN 0.604 nan 8.360 nan 0.000 0.467 220 A N -0.387 122.274 122.820 -0.264 0.000 2.035 220 A HA 0.101 4.421 4.320 -0.000 0.000 0.208 220 A C 0.773 178.423 177.584 0.111 0.000 1.206 220 A CA 0.603 52.611 52.037 -0.047 0.000 0.773 220 A CB 0.005 19.029 19.000 0.041 0.000 0.878 220 A HN 0.408 nan 8.150 nan 0.000 0.469 221 Y N -4.409 115.909 120.300 0.030 0.000 3.075 221 Y HA 0.450 5.000 4.550 -0.000 0.000 0.270 221 Y C 0.887 176.806 175.900 0.033 0.000 1.071 221 Y CA -0.466 57.667 58.100 0.054 0.000 1.269 221 Y CB -0.462 38.036 38.460 0.063 0.000 1.291 221 Y HN -0.015 nan 8.280 nan 0.000 0.613 222 G N 0.706 109.458 108.800 -0.080 0.000 3.042 222 G HA2 0.342 4.302 3.960 -0.000 0.000 0.212 222 G HA3 0.342 4.302 3.960 -0.000 0.000 0.212 222 G C -0.191 174.684 174.900 -0.043 0.000 1.166 222 G CA 0.202 45.254 45.100 -0.079 0.000 0.767 222 G HN 0.120 nan 8.290 nan 0.000 0.546 223 V N 0.572 120.458 119.914 -0.047 0.000 2.481 223 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 223 V C -0.395 175.589 176.094 -0.184 0.000 1.042 223 V CA -0.647 61.562 62.300 -0.152 0.000 0.928 223 V CB 1.568 33.212 31.823 -0.298 0.000 0.986 223 V HN 0.116 nan 8.190 nan 0.000 0.462 224 K N 2.378 122.625 120.400 -0.254 0.000 2.259 224 K HA 0.813 5.133 4.320 -0.000 0.000 0.252 224 K C -0.514 175.933 176.600 -0.256 0.000 0.936 224 K CA -0.219 55.904 56.287 -0.274 0.000 0.810 224 K CB 2.001 34.224 32.500 -0.461 0.000 1.143 224 K HN 0.703 nan 8.250 nan 0.000 0.427 225 S N 0.084 115.706 115.700 -0.130 0.000 2.615 225 S HA 0.589 5.059 4.470 -0.000 0.000 0.269 225 S C -1.198 173.452 174.600 0.083 0.000 1.161 225 S CA -0.741 57.398 58.200 -0.101 0.000 0.817 225 S CB 0.961 64.060 63.200 -0.169 0.000 1.131 225 S HN 0.686 nan 8.310 nan 0.000 0.467 226 T N 0.319 114.925 114.554 0.087 0.000 2.912 226 T HA 0.516 4.866 4.350 -0.000 0.000 0.280 226 T C 1.264 176.061 174.700 0.163 0.000 0.989 226 T CA -0.542 61.655 62.100 0.162 0.000 0.995 226 T CB 0.778 69.689 68.868 0.071 0.000 1.077 226 T HN 0.445 nan 8.240 nan 0.000 0.531 227 I N 0.724 121.399 120.570 0.176 0.000 2.361 227 I HA -0.054 4.116 4.170 -0.000 0.000 0.251 227 I C 2.304 178.526 176.117 0.174 0.000 1.133 227 I CA 1.413 62.820 61.300 0.179 0.000 1.413 227 I CB -0.650 37.471 38.000 0.203 0.000 1.073 227 I HN 0.795 nan 8.210 nan 0.000 0.424 228 E N 0.036 120.237 120.200 0.001 0.000 2.047 228 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 228 E C 1.722 178.398 176.600 0.127 0.000 0.987 228 E CA 1.461 57.844 56.400 -0.028 0.000 0.799 228 E CB -0.228 29.351 29.700 -0.200 0.000 0.752 228 E HN 0.485 nan 8.360 nan 0.000 0.449 229 D N 0.347 120.808 120.400 0.103 0.000 2.144 229 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 229 D C 1.858 178.283 176.300 0.209 0.000 0.984 229 D CA 0.951 55.021 54.000 0.116 0.000 0.834 229 D CB -0.061 40.750 40.800 0.018 0.000 0.955 229 D HN 0.081 nan 8.370 nan 0.000 0.465 230 M N 0.362 120.098 119.600 0.228 0.000 2.175 230 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 230 M C 2.258 178.753 176.300 0.325 0.000 1.063 230 M CA 0.654 56.149 55.300 0.324 0.000 1.119 230 M CB -1.091 31.679 32.600 0.283 0.000 1.377 230 M HN -0.021 nan 8.290 nan 0.000 0.415 231 A N 0.035 123.026 122.820 0.284 0.000 1.908 231 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 231 A C 2.390 180.066 177.584 0.154 0.000 1.181 231 A CA 2.079 54.250 52.037 0.223 0.000 0.627 231 A CB -0.737 18.449 19.000 0.310 0.000 0.818 231 A HN 0.476 nan 8.150 nan 0.000 0.445 232 R N -1.498 119.116 120.500 0.190 0.000 2.092 232 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 232 R C 2.150 178.560 176.300 0.184 0.000 1.119 232 R CA 1.365 57.553 56.100 0.148 0.000 0.970 232 R CB -0.393 30.000 30.300 0.156 0.000 0.864 232 R HN 0.824 nan 8.270 nan 0.000 0.440 233 W N 0.571 121.905 121.300 0.057 0.000 2.335 233 W HA -0.247 4.413 4.660 0.000 0.000 0.311 233 W C 1.474 177.946 176.519 -0.079 0.000 1.213 233 W CA 1.472 58.843 57.345 0.043 0.000 1.274 233 W CB -0.136 29.403 29.460 0.132 0.000 1.148 233 W HN -0.012 nan 8.180 nan 0.000 0.498 234 V N 1.319 121.177 119.914 -0.094 0.000 2.295 234 V HA -0.362 3.758 4.120 -0.000 0.000 0.246 234 V C 2.400 178.176 176.094 -0.530 0.000 1.049 234 V CA 2.374 64.416 62.300 -0.430 0.000 1.024 234 V CB -1.185 30.510 31.823 -0.214 0.000 0.648 234 V HN 0.270 nan 8.190 nan 0.000 0.447 235 Q N 0.013 119.648 119.800 -0.275 0.000 2.077 235 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 235 Q C 2.484 178.303 176.000 -0.303 0.000 0.989 235 Q CA 2.121 57.773 55.803 -0.251 0.000 0.853 235 Q CB -0.361 28.300 28.738 -0.128 0.000 0.907 235 Q HN 0.634 nan 8.270 nan 0.000 0.418 236 S N 1.010 116.546 115.700 -0.272 0.000 2.368 236 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 236 S C 1.567 175.911 174.600 -0.428 0.000 1.030 236 S CA 1.087 59.126 58.200 -0.269 0.000 0.999 236 S CB -0.240 62.865 63.200 -0.160 0.000 0.844 236 S HN 0.370 nan 8.310 nan 0.000 0.459 237 N N 1.147 119.423 118.700 -0.706 0.000 2.354 237 N HA 0.106 4.846 4.740 -0.000 0.000 0.179 237 N C 1.634 176.663 175.510 -0.801 0.000 1.021 237 N CA 0.564 53.111 53.050 -0.838 0.000 0.887 237 N CB -0.194 37.551 38.487 -1.236 0.000 0.974 237 N HN 0.336 nan 8.380 nan 0.000 0.437 238 L N 0.432 121.152 121.223 -0.838 0.000 2.056 238 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 238 L C 0.942 177.637 176.870 -0.293 0.000 1.078 238 L CA 1.176 55.702 54.840 -0.523 0.000 0.749 238 L CB 0.052 41.847 42.059 -0.441 0.000 0.901 238 L HN -0.064 nan 8.230 nan 0.000 0.433 239 K N -1.146 119.092 120.400 -0.270 0.000 2.920 239 K HA 0.199 4.519 4.320 -0.000 0.000 0.175 239 K C -1.977 174.529 176.600 -0.157 0.000 1.099 239 K CA -1.252 54.928 56.287 -0.179 0.000 0.939 239 K CB 1.316 33.726 32.500 -0.150 0.000 1.148 239 K HN -0.163 nan 8.250 nan 0.000 0.613 240 P HA -0.125 nan 4.420 nan 0.000 0.222 240 P C 0.867 178.119 177.300 -0.080 0.000 1.147 240 P CA 0.777 63.805 63.100 -0.120 0.000 0.790 240 P CB 0.267 31.902 31.700 -0.107 0.000 0.780 241 L N -0.613 120.564 121.223 -0.077 0.000 2.362 241 L HA -0.117 4.223 4.340 -0.000 0.000 0.219 241 L C 1.352 178.190 176.870 -0.054 0.000 1.134 241 L CA 1.158 55.963 54.840 -0.058 0.000 0.807 241 L CB -0.694 41.331 42.059 -0.057 0.000 0.927 241 L HN -0.045 nan 8.230 nan 0.000 0.447 242 D N -0.003 120.359 120.400 -0.063 0.000 2.349 242 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 242 D C 0.714 176.989 176.300 -0.042 0.000 1.029 242 D CA 0.419 54.387 54.000 -0.053 0.000 0.879 242 D CB 0.247 41.010 40.800 -0.062 0.000 0.906 242 D HN 0.247 nan 8.370 nan 0.000 0.528 243 I N 1.527 122.073 120.570 -0.041 0.000 2.352 243 I HA 0.030 4.200 4.170 -0.000 0.000 0.290 243 I C 1.290 177.396 176.117 -0.019 0.000 1.036 243 I CA -0.435 60.849 61.300 -0.025 0.000 1.336 243 I CB 1.036 39.023 38.000 -0.022 0.000 1.407 243 I HN -0.287 nan 8.210 nan 0.000 0.497 244 N N 3.683 122.375 118.700 -0.013 0.000 2.188 244 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 244 N C 0.112 175.616 175.510 -0.010 0.000 1.018 244 N CA 0.933 53.976 53.050 -0.012 0.000 0.858 244 N CB -0.074 38.407 38.487 -0.011 0.000 0.989 244 N HN 0.533 nan 8.380 nan 0.000 0.426 245 E N 0.672 120.869 120.200 -0.006 0.000 2.265 245 E HA 0.192 4.542 4.350 -0.000 0.000 0.272 245 E C 1.192 177.789 176.600 -0.005 0.000 1.067 245 E CA 0.028 56.424 56.400 -0.006 0.000 0.900 245 E CB 0.502 30.200 29.700 -0.003 0.000 1.017 245 E HN 0.265 nan 8.360 nan 0.000 0.431 246 K N 2.427 122.823 120.400 -0.007 0.000 2.032 246 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 246 K C 2.038 178.637 176.600 -0.002 0.000 1.048 246 K CA 2.303 58.586 56.287 -0.006 0.000 0.927 246 K CB -1.513 30.983 32.500 -0.007 0.000 0.712 246 K HN 0.680 nan 8.250 nan 0.000 0.441 247 T N -0.837 113.716 114.554 -0.001 0.000 2.867 247 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 247 T C 1.997 176.704 174.700 0.013 0.000 1.057 247 T CA 1.288 63.390 62.100 0.004 0.000 1.136 247 T CB -0.196 68.671 68.868 -0.002 0.000 0.874 247 T HN 0.209 nan 8.240 nan 0.000 0.466 248 L N 1.229 122.460 121.223 0.013 0.000 2.093 248 L HA 0.091 4.431 4.340 -0.000 0.000 0.208 248 L C 2.821 179.706 176.870 0.026 0.000 1.085 248 L CA 1.769 56.627 54.840 0.030 0.000 0.755 248 L CB -0.996 41.084 42.059 0.036 0.000 0.904 248 L HN 0.403 nan 8.230 nan 0.000 0.435 249 Q N -0.865 118.940 119.800 0.008 0.000 2.061 249 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 249 Q C 2.129 178.129 176.000 -0.001 0.000 0.984 249 Q CA 2.371 58.169 55.803 -0.007 0.000 0.846 249 Q CB -0.129 28.600 28.738 -0.015 0.000 0.902 249 Q HN 0.674 nan 8.270 nan 0.000 0.421 250 Q N -0.648 119.157 119.800 0.008 0.000 2.083 250 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 250 Q C 2.120 178.143 176.000 0.040 0.000 0.969 250 Q CA 1.089 56.902 55.803 0.017 0.000 0.838 250 Q CB -0.269 28.479 28.738 0.017 0.000 0.900 250 Q HN 0.572 nan 8.270 nan 0.000 0.436 251 G N 1.344 110.174 108.800 0.050 0.000 2.476 251 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 251 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 251 G C 1.421 176.383 174.900 0.104 0.000 1.164 251 G CA 0.874 46.023 45.100 0.081 0.000 0.768 251 G HN 0.239 nan 8.290 nan 0.000 0.560 252 I N 0.221 120.835 120.570 0.074 0.000 2.226 252 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 252 I C 3.050 179.200 176.117 0.055 0.000 1.100 252 I CA 1.243 62.578 61.300 0.058 0.000 1.374 252 I CB -0.291 37.687 38.000 -0.036 0.000 1.057 252 I HN 0.259 nan 8.210 nan 0.000 0.413 253 Q N 0.432 120.248 119.800 0.025 0.000 2.124 253 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 253 Q C 2.365 178.397 176.000 0.052 0.000 0.977 253 Q CA 1.316 57.128 55.803 0.015 0.000 0.850 253 Q CB -0.120 28.615 28.738 -0.006 0.000 0.901 253 Q HN 0.542 nan 8.270 nan 0.000 0.429 254 L N -0.043 121.236 121.223 0.092 0.000 2.141 254 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 254 L C 2.392 179.411 176.870 0.247 0.000 1.094 254 L CA 0.748 55.680 54.840 0.154 0.000 0.763 254 L CB -0.501 41.658 42.059 0.166 0.000 0.908 254 L HN 0.190 nan 8.230 nan 0.000 0.437 255 A N -0.747 122.217 122.820 0.240 0.000 2.067 255 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 255 A C 2.030 179.847 177.584 0.389 0.000 1.158 255 A CA 1.154 53.390 52.037 0.333 0.000 0.661 255 A CB -0.210 19.017 19.000 0.380 0.000 0.801 255 A HN 0.503 nan 8.150 nan 0.000 0.452 256 Q N -0.187 119.758 119.800 0.242 0.000 2.219 256 Q HA 0.199 4.539 4.340 -0.000 0.000 0.209 256 Q C -0.199 175.824 176.000 0.039 0.000 0.854 256 Q CA -0.320 55.565 55.803 0.138 0.000 0.960 256 Q CB 0.567 29.311 28.738 0.009 0.000 1.116 256 Q HN 0.476 nan 8.270 nan 0.000 0.500 257 S N 1.199 116.903 115.700 0.007 0.000 2.572 257 S HA 0.179 4.649 4.470 -0.000 0.000 0.279 257 S C 0.077 174.475 174.600 -0.337 0.000 1.341 257 S CA -0.046 58.001 58.200 -0.255 0.000 1.043 257 S CB 0.519 63.433 63.200 -0.477 0.000 0.887 257 S HN 0.233 nan 8.310 nan 0.000 0.516 258 R N 1.769 122.053 120.500 -0.361 0.000 2.196 258 R HA 0.228 4.568 4.340 -0.000 0.000 0.340 258 R C -0.333 175.783 176.300 -0.305 0.000 1.043 258 R CA -0.114 55.878 56.100 -0.179 0.000 0.883 258 R CB 0.364 30.547 30.300 -0.194 0.000 1.078 258 R HN 0.698 nan 8.270 nan 0.000 0.462 259 Y N 0.681 120.975 120.300 -0.009 0.000 2.441 259 Y HA 0.140 4.691 4.550 0.000 0.000 0.288 259 Y C 0.201 175.797 175.900 -0.506 0.000 1.118 259 Y CA 0.332 58.255 58.100 -0.296 0.000 1.215 259 Y CB 0.546 38.807 38.460 -0.331 0.000 1.118 259 Y HN 0.465 nan 8.280 nan 0.000 0.547 260 W N -0.039 121.430 121.300 0.282 0.000 3.033 260 W HA 0.556 5.216 4.660 0.000 0.000 0.336 260 W C -0.826 175.801 176.519 0.180 0.000 1.173 260 W CA -0.971 56.493 57.345 0.199 0.000 1.185 260 W CB 1.230 30.791 29.460 0.169 0.000 1.425 260 W HN -0.442 nan 8.180 nan 0.000 0.536 261 Q N 1.404 121.411 119.800 0.345 0.000 2.340 261 Q HA 0.596 4.936 4.340 -0.000 0.000 0.268 261 Q C -1.174 174.842 176.000 0.026 0.000 1.031 261 Q CA -0.428 55.400 55.803 0.041 0.000 0.804 261 Q CB 2.249 30.943 28.738 -0.073 0.000 1.286 261 Q HN 0.420 nan 8.270 nan 0.000 0.448 262 T N 2.972 117.491 114.554 -0.059 0.000 2.906 262 T HA 0.611 4.961 4.350 -0.000 0.000 0.302 262 T C 0.378 175.020 174.700 -0.097 0.000 1.002 262 T CA 0.739 62.808 62.100 -0.051 0.000 0.988 262 T CB 0.519 69.375 68.868 -0.020 0.000 0.972 262 T HN 1.035 nan 8.240 nan 0.000 0.447 263 G N 5.556 114.299 108.800 -0.095 0.000 2.561 263 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.289 263 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.289 263 G C 0.390 175.200 174.900 -0.149 0.000 1.169 263 G CA 0.720 45.762 45.100 -0.098 0.000 0.980 263 G HN 0.935 nan 8.290 nan 0.000 0.550 264 D N 0.389 120.711 120.400 -0.130 0.000 2.340 264 D HA 0.279 4.919 4.640 -0.000 0.000 0.217 264 D C 1.133 177.325 176.300 -0.181 0.000 1.081 264 D CA 0.580 54.495 54.000 -0.143 0.000 0.842 264 D CB 0.062 40.817 40.800 -0.076 0.000 0.934 264 D HN 0.625 nan 8.370 nan 0.000 0.511 265 M N 0.543 120.019 119.600 -0.205 0.000 2.508 265 M HA 0.442 4.922 4.480 -0.000 0.000 0.327 265 M C -1.708 174.452 176.300 -0.234 0.000 1.160 265 M CA -0.703 54.547 55.300 -0.083 0.000 0.980 265 M CB 1.867 34.510 32.600 0.073 0.000 1.693 265 M HN -0.195 nan 8.290 nan 0.000 0.452 266 Y N 1.460 121.869 120.300 0.182 0.000 2.429 266 Y HA 0.407 4.957 4.550 0.000 0.000 0.342 266 Y C -0.388 175.672 175.900 0.267 0.000 1.004 266 Y CA -0.656 57.566 58.100 0.204 0.000 1.075 266 Y CB 1.674 40.222 38.460 0.147 0.000 1.214 266 Y HN 0.576 nan 8.280 nan 0.000 0.455 267 Q N 1.674 121.754 119.800 0.467 0.000 2.274 267 Q HA 0.571 4.911 4.340 -0.000 0.000 0.256 267 Q C -0.066 176.226 176.000 0.486 0.000 0.927 267 Q CA -0.254 55.823 55.803 0.457 0.000 0.939 267 Q CB 1.264 30.284 28.738 0.469 0.000 1.201 267 Q HN 0.887 nan 8.270 nan 0.000 0.426 268 G N 2.682 111.740 108.800 0.430 0.000 2.702 268 G HA2 0.495 4.455 3.960 -0.000 0.000 0.254 268 G HA3 0.495 4.455 3.960 -0.000 0.000 0.254 268 G C -0.942 174.129 174.900 0.284 0.000 1.380 268 G CA -0.850 44.521 45.100 0.452 0.000 1.042 268 G HN 0.607 nan 8.290 nan 0.000 0.557 269 L N 1.217 122.575 121.223 0.224 0.000 2.270 269 L HA 0.439 4.779 4.340 -0.000 0.000 0.286 269 L C 1.387 178.290 176.870 0.055 0.000 1.059 269 L CA 0.514 55.352 54.840 -0.004 0.000 0.839 269 L CB 0.420 42.467 42.059 -0.020 0.000 1.221 269 L HN 1.054 nan 8.230 nan 0.000 0.431 270 G N 2.150 110.957 108.800 0.011 0.000 3.909 270 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 270 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 270 G C 0.031 174.976 174.900 0.076 0.000 1.404 270 G CA -0.228 44.878 45.100 0.010 0.000 0.905 270 G HN 0.510 nan 8.290 nan 0.000 0.589 271 W N 2.388 123.815 121.300 0.212 0.000 2.148 271 W HA 0.555 5.215 4.660 -0.000 0.000 0.347 271 W C 0.867 177.528 176.519 0.236 0.000 1.288 271 W CA -0.113 57.353 57.345 0.203 0.000 1.252 271 W CB 0.376 29.929 29.460 0.156 0.000 1.156 271 W HN 0.352 nan 8.180 nan 0.000 0.580 272 E N 1.406 121.954 120.200 0.580 0.000 2.277 272 E HA 0.587 4.937 4.350 -0.000 0.000 0.266 272 E C -0.893 176.004 176.600 0.495 0.000 0.901 272 E CA -1.176 55.525 56.400 0.503 0.000 0.782 272 E CB 1.846 31.829 29.700 0.471 0.000 1.228 272 E HN 0.176 nan 8.360 nan 0.000 0.424 273 M N 1.751 121.601 119.600 0.415 0.000 2.550 273 M HA 0.474 4.954 4.480 -0.000 0.000 0.292 273 M C -1.578 174.957 176.300 0.390 0.000 1.221 273 M CA -0.351 55.136 55.300 0.313 0.000 0.873 273 M CB 1.808 34.519 32.600 0.185 0.000 1.727 273 M HN 0.300 nan 8.290 nan 0.000 0.459 274 L N 0.624 122.040 121.223 0.323 0.000 2.371 274 L HA 0.545 4.885 4.340 -0.000 0.000 0.262 274 L C -0.781 176.259 176.870 0.283 0.000 1.006 274 L CA -0.730 54.304 54.840 0.324 0.000 0.818 274 L CB 1.907 44.069 42.059 0.171 0.000 1.354 274 L HN 0.549 nan 8.230 nan 0.000 0.415 275 D N 1.003 121.561 120.400 0.264 0.000 2.488 275 D HA -0.072 4.568 4.640 -0.000 0.000 0.238 275 D C -0.838 175.598 176.300 0.226 0.000 1.138 275 D CA 0.326 54.441 54.000 0.192 0.000 0.873 275 D CB 0.983 41.867 40.800 0.139 0.000 1.183 275 D HN 0.354 nan 8.370 nan 0.000 0.458 276 W N 4.630 125.984 121.300 0.090 0.000 2.390 276 W HA 0.268 4.928 4.660 -0.000 0.000 0.312 276 W C -2.265 174.303 176.519 0.081 0.000 1.123 276 W CA -1.780 55.635 57.345 0.117 0.000 1.202 276 W CB 1.095 30.635 29.460 0.133 0.000 1.251 276 W HN 0.243 nan 8.180 nan 0.000 0.511 277 P HA 0.180 nan 4.420 nan 0.000 0.274 277 P C -0.571 176.383 177.300 -0.576 0.000 1.231 277 P CA -0.044 62.276 63.100 -1.301 0.000 0.790 277 P CB 1.649 32.814 31.700 -0.891 0.000 0.951 278 V N -0.979 118.604 119.914 -0.551 0.000 2.850 278 V HA 0.496 4.616 4.120 -0.000 0.000 0.315 278 V C 0.175 175.983 176.094 -0.476 0.000 1.064 278 V CA -1.190 60.890 62.300 -0.367 0.000 0.979 278 V CB 1.295 32.904 31.823 -0.356 0.000 1.039 278 V HN 0.534 nan 8.190 nan 0.000 0.452 279 N N 4.037 122.488 118.700 -0.414 0.000 2.420 279 N HA 0.331 5.071 4.740 -0.000 0.000 0.262 279 N C -1.171 173.940 175.510 -0.666 0.000 1.144 279 N CA -1.989 50.788 53.050 -0.456 0.000 0.952 279 N CB 1.205 39.513 38.487 -0.298 0.000 1.081 279 N HN 0.525 nan 8.380 nan 0.000 0.480 280 P HA -0.125 nan 4.420 nan 0.000 0.216 280 P C 0.314 177.227 177.300 -0.645 0.000 1.150 280 P CA 1.115 63.478 63.100 -1.229 0.000 0.837 280 P CB 0.390 30.980 31.700 -1.850 0.000 0.786 281 D N -0.372 119.755 120.400 -0.455 0.000 2.182 281 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 281 D C 2.181 178.339 176.300 -0.237 0.000 0.986 281 D CA 1.184 55.015 54.000 -0.281 0.000 0.847 281 D CB -0.609 40.066 40.800 -0.207 0.000 0.942 281 D HN 0.168 nan 8.370 nan 0.000 0.467 282 S N 0.364 115.907 115.700 -0.261 0.000 2.355 282 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 282 S C 2.186 176.680 174.600 -0.175 0.000 1.031 282 S CA 1.044 59.126 58.200 -0.198 0.000 0.993 282 S CB -0.209 62.874 63.200 -0.196 0.000 0.859 282 S HN 0.398 nan 8.310 nan 0.000 0.453 283 I N -0.905 119.513 120.570 -0.253 0.000 2.439 283 I HA 0.000 4.170 4.170 -0.000 0.000 0.251 283 I C 2.064 178.131 176.117 -0.083 0.000 1.139 283 I CA 1.094 62.304 61.300 -0.150 0.000 1.438 283 I CB -0.556 37.263 38.000 -0.302 0.000 1.085 283 I HN 0.240 nan 8.210 nan 0.000 0.427 284 I N 2.007 122.478 120.570 -0.165 0.000 2.110 284 I HA -0.223 3.947 4.170 -0.000 0.000 0.236 284 I C 2.385 178.447 176.117 -0.091 0.000 1.068 284 I CA 1.464 62.693 61.300 -0.119 0.000 1.333 284 I CB -0.726 37.188 38.000 -0.144 0.000 1.054 284 I HN 0.245 nan 8.210 nan 0.000 0.402 285 N N 1.221 119.860 118.700 -0.101 0.000 2.149 285 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 285 N C 1.842 177.314 175.510 -0.063 0.000 1.019 285 N CA 1.669 54.672 53.050 -0.078 0.000 0.857 285 N CB -0.769 37.669 38.487 -0.082 0.000 0.997 285 N HN 0.458 nan 8.380 nan 0.000 0.426 286 G N 0.070 108.836 108.800 -0.057 0.000 2.509 286 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 286 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 286 G C 1.526 176.411 174.900 -0.024 0.000 1.124 286 G CA 1.036 46.116 45.100 -0.033 0.000 0.776 286 G HN 0.498 nan 8.290 nan 0.000 0.547 287 S N -0.371 115.313 115.700 -0.027 0.000 2.527 287 S HA 0.030 4.500 4.470 -0.000 0.000 0.222 287 S C 0.755 175.307 174.600 -0.080 0.000 0.985 287 S CA -0.096 58.075 58.200 -0.049 0.000 0.921 287 S CB 0.037 63.202 63.200 -0.059 0.000 0.772 287 S HN 0.279 nan 8.310 nan 0.000 0.529 288 D N 2.135 122.495 120.400 -0.068 0.000 2.458 288 D HA 0.054 4.694 4.640 -0.000 0.000 0.243 288 D C 0.354 176.614 176.300 -0.067 0.000 1.146 288 D CA 0.068 54.030 54.000 -0.063 0.000 0.877 288 D CB 0.516 41.286 40.800 -0.050 0.000 1.176 288 D HN 0.069 nan 8.370 nan 0.000 0.461 289 N N 2.995 121.656 118.700 -0.065 0.000 2.430 289 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 289 N C 1.566 177.050 175.510 -0.043 0.000 1.032 289 N CA 0.703 53.714 53.050 -0.065 0.000 0.893 289 N CB -0.121 38.336 38.487 -0.050 0.000 0.957 289 N HN 0.644 nan 8.380 nan 0.000 0.442 290 K N 0.245 120.625 120.400 -0.033 0.000 2.283 290 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 290 K C 1.579 178.165 176.600 -0.024 0.000 1.048 290 K CA 0.946 57.221 56.287 -0.021 0.000 0.948 290 K CB 0.035 32.525 32.500 -0.018 0.000 0.742 290 K HN 0.170 nan 8.250 nan 0.000 0.458 291 I N 0.788 121.335 120.570 -0.038 0.000 2.947 291 I HA 0.036 4.206 4.170 -0.000 0.000 0.263 291 I C 2.453 178.539 176.117 -0.051 0.000 1.130 291 I CA 0.459 61.736 61.300 -0.039 0.000 1.448 291 I CB -0.036 37.939 38.000 -0.041 0.000 1.222 291 I HN 0.184 nan 8.210 nan 0.000 0.453 292 A N 1.032 123.804 122.820 -0.079 0.000 2.019 292 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 292 A C 2.059 179.554 177.584 -0.149 0.000 1.164 292 A CA 1.322 53.278 52.037 -0.135 0.000 0.644 292 A CB -0.562 18.318 19.000 -0.200 0.000 0.805 292 A HN 0.431 nan 8.150 nan 0.000 0.449 293 L N -1.067 120.108 121.223 -0.080 0.000 2.640 293 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 293 L C 1.023 177.913 176.870 0.034 0.000 1.123 293 L CA -0.118 54.717 54.840 -0.007 0.000 0.900 293 L CB -0.128 41.941 42.059 0.016 0.000 1.146 293 L HN 0.338 nan 8.230 nan 0.000 0.484 294 A N 0.779 123.605 122.820 0.010 0.000 2.316 294 A HA 0.693 5.013 4.320 -0.000 0.000 0.284 294 A C 0.504 178.093 177.584 0.007 0.000 1.115 294 A CA -0.267 51.783 52.037 0.022 0.000 0.812 294 A CB 0.541 19.542 19.000 0.001 0.000 1.064 294 A HN 0.194 nan 8.150 nan 0.000 0.489 295 A N 2.464 125.291 122.820 0.012 0.000 2.498 295 A HA 0.525 4.845 4.320 -0.000 0.000 0.239 295 A C 0.450 177.934 177.584 -0.167 0.000 1.068 295 A CA 0.194 52.160 52.037 -0.118 0.000 0.766 295 A CB 0.093 18.941 19.000 -0.255 0.000 1.003 295 A HN 0.771 nan 8.150 nan 0.000 0.497 296 R N 1.858 122.230 120.500 -0.214 0.000 2.651 296 R HA 0.429 4.769 4.340 -0.000 0.000 0.278 296 R C -3.176 172.986 176.300 -0.230 0.000 1.010 296 R CA -1.884 54.109 56.100 -0.178 0.000 0.896 296 R CB 2.087 32.328 30.300 -0.098 0.000 1.211 296 R HN 0.530 nan 8.270 nan 0.000 0.456 297 P HA 0.090 nan 4.420 nan 0.000 0.271 297 P C -0.191 177.040 177.300 -0.115 0.000 1.216 297 P CA -0.238 62.746 63.100 -0.192 0.000 0.776 297 P CB 0.859 32.475 31.700 -0.140 0.000 0.881 298 V N -1.683 118.169 119.914 -0.104 0.000 2.715 298 V HA 0.886 5.006 4.120 -0.000 0.000 0.310 298 V C -0.107 176.082 176.094 0.158 0.000 1.054 298 V CA -1.235 61.074 62.300 0.014 0.000 0.928 298 V CB 1.013 32.781 31.823 -0.092 0.000 1.007 298 V HN 0.558 nan 8.190 nan 0.000 0.437 299 K N 1.961 122.507 120.400 0.243 0.000 2.213 299 K HA 0.895 5.215 4.320 -0.000 0.000 0.270 299 K C 0.200 177.042 176.600 0.404 0.000 1.002 299 K CA -0.262 56.180 56.287 0.259 0.000 0.868 299 K CB 1.141 33.729 32.500 0.146 0.000 1.093 299 K HN 2.064 nan 8.250 nan 0.000 0.454 300 A N 2.150 125.198 122.820 0.379 0.000 2.511 300 A HA 0.549 4.869 4.320 -0.000 0.000 0.242 300 A C 0.032 177.605 177.584 -0.019 0.000 1.069 300 A CA -0.195 51.873 52.037 0.051 0.000 0.763 300 A CB -0.389 18.604 19.000 -0.012 0.000 1.001 300 A HN 0.791 nan 8.150 nan 0.000 0.498 301 I N 2.680 123.164 120.570 -0.144 0.000 2.306 301 I HA 0.211 4.381 4.170 -0.000 0.000 0.288 301 I C -0.187 175.850 176.117 -0.133 0.000 1.036 301 I CA 0.108 61.361 61.300 -0.078 0.000 1.221 301 I CB 1.276 39.251 38.000 -0.043 0.000 1.385 301 I HN 0.534 nan 8.210 nan 0.000 0.472 302 T N 6.532 121.039 114.554 -0.078 0.000 2.893 302 T HA 0.415 4.765 4.350 -0.000 0.000 0.324 302 T C -1.699 172.970 174.700 -0.052 0.000 1.082 302 T CA -0.928 61.130 62.100 -0.071 0.000 0.983 302 T CB 0.746 69.590 68.868 -0.039 0.000 1.005 302 T HN 0.461 nan 8.240 nan 0.000 0.475 303 P HA 0.560 nan 4.420 nan 0.000 0.281 303 P C -3.057 174.161 177.300 -0.137 0.000 1.281 303 P CA -2.118 60.929 63.100 -0.089 0.000 0.811 303 P CB 0.099 31.759 31.700 -0.068 0.000 1.154 304 P HA 0.084 nan 4.420 nan 0.000 0.266 304 P C -0.338 176.797 177.300 -0.275 0.000 1.195 304 P CA 0.430 63.329 63.100 -0.335 0.000 0.768 304 P CB -0.018 31.318 31.700 -0.606 0.000 0.838 305 T N 5.527 119.921 114.554 -0.266 0.000 2.814 305 T HA 0.251 4.601 4.350 -0.000 0.000 0.297 305 T C -2.126 172.439 174.700 -0.226 0.000 0.956 305 T CA -1.065 60.909 62.100 -0.211 0.000 1.123 305 T CB -0.093 68.651 68.868 -0.206 0.000 0.902 305 T HN 0.268 nan 8.240 nan 0.000 0.528 306 P HA 0.201 nan 4.420 nan 0.000 0.270 306 P C -0.490 176.732 177.300 -0.131 0.000 1.223 306 P CA -0.507 62.510 63.100 -0.138 0.000 0.785 306 P CB 0.290 31.932 31.700 -0.096 0.000 0.923 307 A N 2.395 125.152 122.820 -0.105 0.000 2.581 307 A HA 0.021 4.341 4.320 -0.000 0.000 0.257 307 A C 0.201 177.727 177.584 -0.096 0.000 1.022 307 A CA 0.292 52.273 52.037 -0.093 0.000 0.812 307 A CB -0.903 18.056 19.000 -0.067 0.000 0.918 307 A HN 0.371 nan 8.150 nan 0.000 0.516 308 V N 6.477 126.325 119.914 -0.110 0.000 2.408 308 V HA 0.102 4.222 4.120 -0.000 0.000 0.267 308 V C 1.581 177.634 176.094 -0.070 0.000 1.047 308 V CA -0.442 61.801 62.300 -0.095 0.000 0.937 308 V CB 0.816 32.566 31.823 -0.121 0.000 0.999 308 V HN 1.043 nan 8.190 nan 0.000 0.472 309 R N 3.901 124.368 120.500 -0.056 0.000 2.091 309 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 309 R C 1.281 177.560 176.300 -0.036 0.000 1.136 309 R CA 1.505 57.573 56.100 -0.052 0.000 0.959 309 R CB -0.247 30.023 30.300 -0.049 0.000 0.856 309 R HN 0.713 nan 8.270 nan 0.000 0.437 310 A N 2.029 124.855 122.820 0.010 0.000 3.056 310 A HA 0.280 4.600 4.320 -0.000 0.000 0.274 310 A C -0.472 177.205 177.584 0.155 0.000 1.661 310 A CA -0.025 52.070 52.037 0.097 0.000 1.363 310 A CB 0.032 19.117 19.000 0.142 0.000 1.139 310 A HN 0.078 nan 8.150 nan 0.000 0.598 311 S N 0.685 116.444 115.700 0.098 0.000 2.570 311 S HA 0.515 4.985 4.470 -0.000 0.000 0.286 311 S C -0.953 173.730 174.600 0.137 0.000 1.099 311 S CA -0.597 57.678 58.200 0.125 0.000 0.913 311 S CB 1.212 64.401 63.200 -0.019 0.000 1.085 311 S HN 0.694 nan 8.310 nan 0.000 0.480 312 W N 3.871 125.208 121.300 0.061 0.000 2.332 312 W HA 0.557 5.217 4.660 -0.000 0.000 0.306 312 W C -1.812 174.567 176.519 -0.234 0.000 1.149 312 W CA -0.492 56.827 57.345 -0.044 0.000 1.271 312 W CB 0.605 30.147 29.460 0.136 0.000 1.243 312 W HN 0.350 nan 8.180 nan 0.000 0.459 313 V N 7.620 127.082 119.914 -0.752 0.000 2.417 313 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 313 V C -0.128 175.519 176.094 -0.746 0.000 1.024 313 V CA -0.427 61.386 62.300 -0.812 0.000 0.861 313 V CB 1.260 32.125 31.823 -1.597 0.000 0.985 313 V HN 0.675 nan 8.190 nan 0.000 0.436 314 H N 2.522 121.502 119.070 -0.149 0.000 2.981 314 H HA 0.917 5.473 4.556 -0.000 0.000 0.327 314 H C -1.314 174.292 175.328 0.464 0.000 1.342 314 H CA -1.274 54.826 56.048 0.087 0.000 1.123 314 H CB 2.278 32.133 29.762 0.155 0.000 1.851 314 H HN 0.431 nan 8.280 nan 0.000 0.531 315 K N 1.216 121.768 120.400 0.253 0.000 2.570 315 K HA 0.254 4.574 4.320 -0.000 0.000 0.256 315 K C -1.320 175.435 176.600 0.258 0.000 0.939 315 K CA -0.075 56.309 56.287 0.163 0.000 0.833 315 K CB 2.022 34.600 32.500 0.130 0.000 1.318 315 K HN 0.926 nan 8.250 nan 0.000 0.433 316 T N -0.044 114.646 114.554 0.227 0.000 2.899 316 T HA 0.850 5.200 4.350 -0.000 0.000 0.284 316 T C 0.365 175.175 174.700 0.183 0.000 1.004 316 T CA -0.454 61.805 62.100 0.264 0.000 1.043 316 T CB 1.573 70.488 68.868 0.078 0.000 1.013 316 T HN 0.634 nan 8.240 nan 0.000 0.518 317 G N -0.601 108.307 108.800 0.180 0.000 2.733 317 G HA2 0.734 4.694 3.960 -0.000 0.000 0.297 317 G HA3 0.734 4.694 3.960 -0.000 0.000 0.297 317 G C -1.503 173.490 174.900 0.155 0.000 1.422 317 G CA -0.602 44.603 45.100 0.175 0.000 0.942 317 G HN 1.110 nan 8.290 nan 0.000 0.510 318 A N 0.535 123.443 122.820 0.147 0.000 2.572 318 A HA 0.980 5.300 4.320 -0.000 0.000 0.295 318 A C 0.104 177.779 177.584 0.152 0.000 1.072 318 A CA 0.111 52.240 52.037 0.153 0.000 0.691 318 A CB 1.700 20.755 19.000 0.092 0.000 1.291 318 A HN 1.803 nan 8.150 nan 0.000 0.404 319 T N -2.157 112.526 114.554 0.215 0.000 2.718 319 T HA 0.633 4.983 4.350 -0.000 0.000 0.267 319 T C 1.374 176.182 174.700 0.181 0.000 0.957 319 T CA 0.234 62.438 62.100 0.175 0.000 1.025 319 T CB 0.768 69.783 68.868 0.246 0.000 1.355 319 T HN 1.463 nan 8.240 nan 0.000 0.572 320 G N -0.269 108.630 108.800 0.164 0.000 2.440 320 G HA2 0.180 4.140 3.960 -0.000 0.000 0.218 320 G HA3 0.180 4.140 3.960 -0.000 0.000 0.218 320 G C 1.172 176.165 174.900 0.155 0.000 1.154 320 G CA 0.633 45.812 45.100 0.132 0.000 0.767 320 G HN 1.146 nan 8.290 nan 0.000 0.552 321 G N -1.358 107.580 108.800 0.229 0.000 3.377 321 G HA2 0.484 4.444 3.960 -0.000 0.000 0.257 321 G HA3 0.484 4.444 3.960 -0.000 0.000 0.257 321 G C -0.459 174.424 174.900 -0.029 0.000 1.038 321 G CA -0.459 44.690 45.100 0.082 0.000 0.809 321 G HN 0.189 nan 8.290 nan 0.000 0.526 322 F N -0.401 119.678 119.950 0.215 0.000 2.599 322 F HA 0.699 5.226 4.527 0.000 0.000 0.311 322 F C 0.338 176.277 175.800 0.231 0.000 1.076 322 F CA -1.002 57.163 58.000 0.276 0.000 0.937 322 F CB 2.511 41.695 39.000 0.306 0.000 1.282 322 F HN 0.034 nan 8.300 nan 0.000 0.460 323 G N 0.570 109.644 108.800 0.457 0.000 2.617 323 G HA2 0.596 4.556 3.960 -0.000 0.000 0.306 323 G HA3 0.596 4.556 3.960 -0.000 0.000 0.306 323 G C -1.591 173.485 174.900 0.295 0.000 1.360 323 G CA -0.784 44.476 45.100 0.266 0.000 0.983 323 G HN 0.763 nan 8.290 nan 0.000 0.496 324 S N 0.431 116.268 115.700 0.229 0.000 2.595 324 S HA 0.833 5.303 4.470 -0.000 0.000 0.281 324 S C -1.603 173.187 174.600 0.317 0.000 1.117 324 S CA -0.921 57.437 58.200 0.263 0.000 0.873 324 S CB 2.414 65.765 63.200 0.253 0.000 1.108 324 S HN 1.196 nan 8.310 nan 0.000 0.477 325 Y N 0.397 120.803 120.300 0.176 0.000 2.552 325 Y HA 0.679 5.229 4.550 0.000 0.000 0.337 325 Y C -2.006 174.046 175.900 0.253 0.000 1.094 325 Y CA -0.970 57.249 58.100 0.198 0.000 1.028 325 Y CB 1.698 40.273 38.460 0.192 0.000 1.321 325 Y HN 0.805 nan 8.280 nan 0.000 0.456 326 V N 3.946 123.701 119.914 -0.265 0.000 2.808 326 V HA 0.958 5.078 4.120 -0.000 0.000 0.308 326 V C -0.991 174.861 176.094 -0.403 0.000 1.099 326 V CA -0.328 61.897 62.300 -0.126 0.000 0.920 326 V CB 1.544 33.549 31.823 0.304 0.000 1.014 326 V HN 1.039 nan 8.190 nan 0.000 0.425 327 A N 4.616 127.216 122.820 -0.368 0.000 2.520 327 A HA 1.040 5.360 4.320 -0.000 0.000 0.298 327 A C -1.270 176.019 177.584 -0.492 0.000 1.051 327 A CA -0.503 51.166 52.037 -0.613 0.000 0.690 327 A CB 1.742 20.273 19.000 -0.781 0.000 1.281 327 A HN 1.496 nan 8.150 nan 0.000 0.402 328 F N -0.626 118.861 119.950 -0.772 0.000 2.686 328 F HA 0.845 5.372 4.527 -0.000 0.000 0.311 328 F C -1.443 173.993 175.800 -0.606 0.000 1.128 328 F CA -1.282 56.349 58.000 -0.615 0.000 0.946 328 F CB 1.304 40.012 39.000 -0.487 0.000 1.336 328 F HN 0.320 nan 8.300 nan 0.000 0.457 329 I N 2.001 122.403 120.570 -0.279 0.000 2.493 329 I HA 0.316 4.486 4.170 -0.000 0.000 0.279 329 I C -2.165 173.842 176.117 -0.184 0.000 1.045 329 I CA -1.837 59.260 61.300 -0.338 0.000 1.106 329 I CB 2.036 39.695 38.000 -0.568 0.000 1.216 329 I HN 0.356 nan 8.210 nan 0.000 0.459 330 P HA -0.192 nan 4.420 nan 0.000 0.216 330 P C 1.374 178.599 177.300 -0.125 0.000 1.150 330 P CA 1.214 64.269 63.100 -0.076 0.000 0.837 330 P CB 0.338 32.005 31.700 -0.055 0.000 0.786 331 E N -0.103 120.015 120.200 -0.138 0.000 2.153 331 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 331 E C 1.152 177.665 176.600 -0.145 0.000 0.988 331 E CA 0.964 57.293 56.400 -0.118 0.000 0.811 331 E CB -0.007 29.641 29.700 -0.087 0.000 0.746 331 E HN 0.105 nan 8.360 nan 0.000 0.466 332 K N -0.433 119.842 120.400 -0.209 0.000 2.374 332 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 332 K C 0.495 176.971 176.600 -0.206 0.000 1.023 332 K CA 0.892 57.050 56.287 -0.215 0.000 1.103 332 K CB 0.765 33.088 32.500 -0.295 0.000 0.848 332 K HN 0.202 nan 8.250 nan 0.000 0.528 333 E N 0.850 120.939 120.200 -0.184 0.000 2.389 333 E HA -0.192 4.158 4.350 -0.000 0.000 0.243 333 E C -0.383 176.113 176.600 -0.172 0.000 1.154 333 E CA 1.205 57.499 56.400 -0.177 0.000 0.723 333 E CB -2.603 26.990 29.700 -0.178 0.000 1.261 333 E HN 0.259 nan 8.360 nan 0.000 0.390 334 L N -1.265 119.862 121.223 -0.160 0.000 2.408 334 L HA 0.929 5.269 4.340 -0.000 0.000 0.268 334 L C 0.452 177.263 176.870 -0.099 0.000 0.986 334 L CA 0.311 55.082 54.840 -0.114 0.000 0.820 334 L CB 2.163 44.138 42.059 -0.140 0.000 1.303 334 L HN 0.852 nan 8.230 nan 0.000 0.411 335 G N 3.848 112.621 108.800 -0.044 0.000 2.608 335 G HA2 0.621 4.581 3.960 -0.000 0.000 0.291 335 G HA3 0.621 4.581 3.960 -0.000 0.000 0.291 335 G C -2.225 172.683 174.900 0.012 0.000 1.425 335 G CA -0.450 44.624 45.100 -0.042 0.000 0.787 335 G HN 0.812 nan 8.290 nan 0.000 0.484 336 I N -0.365 120.214 120.570 0.015 0.000 2.827 336 I HA 0.668 4.838 4.170 -0.000 0.000 0.298 336 I C -1.352 174.830 176.117 0.109 0.000 1.235 336 I CA -1.010 60.343 61.300 0.089 0.000 1.021 336 I CB 2.329 40.399 38.000 0.118 0.000 1.259 336 I HN 0.377 nan 8.210 nan 0.000 0.427 337 V N 7.315 127.333 119.914 0.174 0.000 2.531 337 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 337 V C -0.481 175.749 176.094 0.226 0.000 1.034 337 V CA -0.425 61.995 62.300 0.200 0.000 0.865 337 V CB 1.791 33.748 31.823 0.225 0.000 0.995 337 V HN 0.644 nan 8.190 nan 0.000 0.424 338 M N 6.282 126.024 119.600 0.237 0.000 2.134 338 M HA 0.603 5.083 4.480 -0.000 0.000 0.310 338 M C -1.309 175.094 176.300 0.172 0.000 0.966 338 M CA -0.149 55.290 55.300 0.231 0.000 0.922 338 M CB 1.765 34.550 32.600 0.308 0.000 1.537 338 M HN 0.393 nan 8.290 nan 0.000 0.424 339 L N 2.923 124.149 121.223 0.006 0.000 2.333 339 L HA 0.974 5.314 4.340 -0.000 0.000 0.280 339 L C -0.404 176.337 176.870 -0.216 0.000 1.004 339 L CA -0.750 53.962 54.840 -0.212 0.000 0.820 339 L CB 1.710 43.300 42.059 -0.780 0.000 1.247 339 L HN 0.769 nan 8.230 nan 0.000 0.416 340 A N 2.033 124.987 122.820 0.223 0.000 2.435 340 A HA 0.599 4.919 4.320 -0.000 0.000 0.304 340 A C -0.314 177.633 177.584 0.605 0.000 1.064 340 A CA -0.746 51.543 52.037 0.420 0.000 0.727 340 A CB 1.264 20.500 19.000 0.393 0.000 1.284 340 A HN 0.762 nan 8.150 nan 0.000 0.415 341 N N 1.205 120.179 118.700 0.457 0.000 2.575 341 N HA 0.165 4.905 4.740 -0.000 0.000 0.275 341 N C -0.448 175.051 175.510 -0.019 0.000 1.202 341 N CA -0.118 52.885 53.050 -0.079 0.000 0.945 341 N CB 0.234 38.617 38.487 -0.172 0.000 1.247 341 N HN 0.612 nan 8.380 nan 0.000 0.510 342 K N 0.086 120.575 120.400 0.149 0.000 2.498 342 K HA 0.262 4.582 4.320 -0.000 0.000 0.254 342 K C -1.545 175.237 176.600 0.303 0.000 0.933 342 K CA -0.736 55.659 56.287 0.180 0.000 0.806 342 K CB 1.309 33.908 32.500 0.165 0.000 1.301 342 K HN -0.042 nan 8.250 nan 0.000 0.432 343 N N 3.814 122.654 118.700 0.234 0.000 2.482 343 N HA 0.127 4.867 4.740 -0.000 0.000 0.242 343 N C -1.449 174.186 175.510 0.208 0.000 1.100 343 N CA -0.105 53.069 53.050 0.207 0.000 0.946 343 N CB -0.113 38.461 38.487 0.146 0.000 1.227 343 N HN 0.486 nan 8.380 nan 0.000 0.508 344 Y N 1.374 121.718 120.300 0.073 0.000 2.602 344 Y HA 0.800 5.350 4.550 0.000 0.000 0.330 344 Y C -2.499 173.420 175.900 0.032 0.000 1.114 344 Y CA -3.074 55.053 58.100 0.044 0.000 1.182 344 Y CB 0.015 38.495 38.460 0.033 0.000 1.305 344 Y HN 0.261 nan 8.280 nan 0.000 0.502 345 P HA 0.089 nan 4.420 nan 0.000 0.268 345 P C -0.043 177.140 177.300 -0.195 0.000 1.205 345 P CA 0.049 63.106 63.100 -0.070 0.000 0.771 345 P CB 0.776 32.482 31.700 0.009 0.000 0.858 346 N N 3.977 122.567 118.700 -0.183 0.000 2.061 346 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 346 N C -0.921 174.480 175.510 -0.181 0.000 1.030 346 N CA 1.974 54.897 53.050 -0.212 0.000 0.856 346 N CB -1.961 36.431 38.487 -0.158 0.000 1.023 346 N HN 0.454 nan 8.380 nan 0.000 0.424 347 P HA -0.023 nan 4.420 nan 0.000 0.218 347 P C 1.029 178.305 177.300 -0.040 0.000 1.149 347 P CA 1.314 64.368 63.100 -0.078 0.000 0.817 347 P CB -0.061 31.609 31.700 -0.051 0.000 0.785 348 A N 0.196 123.017 122.820 0.001 0.000 1.930 348 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 348 A C 2.193 179.851 177.584 0.124 0.000 1.175 348 A CA 1.308 53.402 52.037 0.095 0.000 0.627 348 A CB -0.909 18.218 19.000 0.212 0.000 0.815 348 A HN 0.121 nan 8.150 nan 0.000 0.443 349 R N -0.596 119.918 120.500 0.022 0.000 2.073 349 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 349 R C 1.917 178.168 176.300 -0.080 0.000 1.134 349 R CA 1.541 57.639 56.100 -0.002 0.000 0.952 349 R CB -0.699 29.460 30.300 -0.235 0.000 0.850 349 R HN 0.366 nan 8.270 nan 0.000 0.433 350 V N 1.641 121.409 119.914 -0.242 0.000 2.548 350 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 350 V C 1.895 178.078 176.094 0.148 0.000 1.055 350 V CA 1.965 64.170 62.300 -0.159 0.000 1.065 350 V CB -0.528 31.197 31.823 -0.164 0.000 0.681 350 V HN 0.304 nan 8.190 nan 0.000 0.462 351 D N 0.844 121.299 120.400 0.093 0.000 2.097 351 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 351 D C 2.133 178.579 176.300 0.242 0.000 0.989 351 D CA 1.654 55.746 54.000 0.154 0.000 0.827 351 D CB -0.128 40.724 40.800 0.087 0.000 0.966 351 D HN 0.339 nan 8.370 nan 0.000 0.456 352 A N 0.521 123.458 122.820 0.195 0.000 1.877 352 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 352 A C 2.420 180.157 177.584 0.255 0.000 1.186 352 A CA 2.318 54.466 52.037 0.185 0.000 0.620 352 A CB -1.222 17.865 19.000 0.145 0.000 0.822 352 A HN 0.354 nan 8.150 nan 0.000 0.443 353 A N -1.152 121.890 122.820 0.370 0.000 1.902 353 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 353 A C 2.122 180.032 177.584 0.544 0.000 1.181 353 A CA 1.438 53.773 52.037 0.497 0.000 0.623 353 A CB -0.950 18.540 19.000 0.817 0.000 0.818 353 A HN 0.889 nan 8.150 nan 0.000 0.443 354 W N 0.693 122.228 121.300 0.391 0.000 2.355 354 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 354 W C 1.860 178.509 176.519 0.218 0.000 1.206 354 W CA 2.029 59.549 57.345 0.293 0.000 1.284 354 W CB -0.307 29.193 29.460 0.067 0.000 1.145 354 W HN 0.394 nan 8.180 nan 0.000 0.502 355 Q N 0.703 120.580 119.800 0.128 0.000 2.096 355 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 355 Q C 2.256 178.204 176.000 -0.088 0.000 0.982 355 Q CA 2.105 57.893 55.803 -0.024 0.000 0.850 355 Q CB -0.921 27.869 28.738 0.088 0.000 0.901 355 Q HN 0.502 nan 8.270 nan 0.000 0.422 356 I N 0.148 120.722 120.570 0.006 0.000 2.193 356 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 356 I C 2.271 178.373 176.117 -0.024 0.000 1.084 356 I CA 0.788 62.086 61.300 -0.003 0.000 1.365 356 I CB -0.233 37.790 38.000 0.039 0.000 1.064 356 I HN 0.106 nan 8.210 nan 0.000 0.410 357 L N 0.334 121.570 121.223 0.021 0.000 2.141 357 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 357 L C 2.187 179.005 176.870 -0.086 0.000 1.094 357 L CA 1.218 56.071 54.840 0.022 0.000 0.763 357 L CB -0.704 41.446 42.059 0.151 0.000 0.908 357 L HN 0.335 nan 8.230 nan 0.000 0.437 358 N N 0.420 118.925 118.700 -0.325 0.000 2.270 358 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 358 N C 1.803 177.202 175.510 -0.186 0.000 1.016 358 N CA 1.220 54.007 53.050 -0.438 0.000 0.870 358 N CB 0.070 37.861 38.487 -1.159 0.000 0.979 358 N HN 0.237 nan 8.380 nan 0.000 0.431 359 A N 0.240 122.969 122.820 -0.152 0.000 1.933 359 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 359 A C 2.054 179.623 177.584 -0.025 0.000 1.175 359 A CA 1.027 53.022 52.037 -0.071 0.000 0.628 359 A CB -0.562 18.398 19.000 -0.066 0.000 0.814 359 A HN 0.360 nan 8.150 nan 0.000 0.444 360 L N -0.701 120.518 121.223 -0.006 0.000 2.477 360 L HA 0.032 4.372 4.340 -0.000 0.000 0.220 360 L C 1.726 178.683 176.870 0.146 0.000 1.106 360 L CA -0.108 54.778 54.840 0.076 0.000 0.851 360 L CB -0.258 41.860 42.059 0.099 0.000 0.994 360 L HN 0.545 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.841 119.800 0.068 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.834 55.803 0.052 0.000 1.022 361 Q CB 0.000 28.775 28.738 0.061 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481