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 1pi5_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 INGSDAKIAL 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 0.000 177.427 177.584 -0.261 0.000 1.274 4 A CA 0.000 51.879 52.037 -0.263 0.000 0.836 4 A CB 0.000 18.828 19.000 -0.287 0.000 0.831 5 P HA 0.098 nan 4.420 nan 0.000 0.267 5 P C 0.752 177.934 177.300 -0.196 0.000 1.200 5 P CA -0.138 62.808 63.100 -0.256 0.000 0.772 5 P CB 0.619 32.120 31.700 -0.332 0.000 0.855 6 Q N 2.655 122.383 119.800 -0.120 0.000 2.135 6 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 6 Q C 1.707 177.652 176.000 -0.093 0.000 0.981 6 Q CA 2.119 57.875 55.803 -0.079 0.000 0.856 6 Q CB -0.078 28.630 28.738 -0.050 0.000 0.902 6 Q HN 0.653 nan 8.270 nan 0.000 0.425 7 Q N -0.685 119.033 119.800 -0.137 0.000 2.124 7 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 7 Q C 2.116 178.013 176.000 -0.171 0.000 0.977 7 Q CA 1.577 57.293 55.803 -0.145 0.000 0.850 7 Q CB -0.408 28.222 28.738 -0.179 0.000 0.901 7 Q HN 0.427 nan 8.270 nan 0.000 0.429 8 I N 1.388 121.815 120.570 -0.238 0.000 2.193 8 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 8 I C 1.984 178.050 176.117 -0.084 0.000 1.084 8 I CA 0.790 61.969 61.300 -0.201 0.000 1.365 8 I CB -0.484 37.349 38.000 -0.278 0.000 1.064 8 I HN 0.236 nan 8.210 nan 0.000 0.410 9 N N 0.961 119.660 118.700 -0.002 0.000 2.104 9 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 9 N C 1.510 177.043 175.510 0.039 0.000 1.024 9 N CA 1.878 54.982 53.050 0.090 0.000 0.853 9 N CB -0.514 38.032 38.487 0.098 0.000 1.008 9 N HN 0.403 nan 8.380 nan 0.000 0.424 10 D N 0.496 120.904 120.400 0.012 0.000 2.084 10 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 10 D C 1.875 178.189 176.300 0.022 0.000 0.990 10 D CA 0.603 54.624 54.000 0.036 0.000 0.826 10 D CB -0.164 40.640 40.800 0.006 0.000 0.971 10 D HN 0.091 nan 8.370 nan 0.000 0.453 11 I N -0.245 120.307 120.570 -0.029 0.000 2.439 11 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 11 I C 2.040 178.133 176.117 -0.041 0.000 1.139 11 I CA 0.744 62.022 61.300 -0.036 0.000 1.438 11 I CB -0.140 37.827 38.000 -0.056 0.000 1.085 11 I HN -0.010 nan 8.210 nan 0.000 0.427 12 V N 0.054 119.908 119.914 -0.101 0.000 2.358 12 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 12 V C 2.525 178.652 176.094 0.055 0.000 1.047 12 V CA 2.196 64.405 62.300 -0.152 0.000 1.035 12 V CB -1.034 30.413 31.823 -0.627 0.000 0.658 12 V HN 0.532 nan 8.190 nan 0.000 0.452 13 H N 0.653 119.722 119.070 -0.003 0.000 2.389 13 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 13 H C 2.397 177.770 175.328 0.074 0.000 1.081 13 H CA 1.738 57.855 56.048 0.116 0.000 1.345 13 H CB -0.070 29.751 29.762 0.099 0.000 1.393 13 H HN 0.264 nan 8.280 nan 0.000 0.520 14 R N -1.142 119.352 120.500 -0.010 0.000 2.148 14 R HA -0.026 4.314 4.340 -0.000 0.000 0.227 14 R C 1.633 177.892 176.300 -0.068 0.000 1.103 14 R CA 1.642 57.689 56.100 -0.088 0.000 0.983 14 R CB 0.233 30.511 30.300 -0.036 0.000 0.874 14 R HN 0.329 nan 8.270 nan 0.000 0.451 15 T N 0.225 114.758 114.554 -0.035 0.000 3.044 15 T HA 0.123 4.473 4.350 -0.000 0.000 0.237 15 T C 1.690 176.347 174.700 -0.073 0.000 1.001 15 T CA 0.250 62.331 62.100 -0.032 0.000 1.160 15 T CB 0.214 69.081 68.868 -0.001 0.000 0.889 15 T HN -0.041 nan 8.240 nan 0.000 0.442 16 I N 2.165 122.679 120.570 -0.093 0.000 2.333 16 I HA -0.055 4.115 4.170 -0.000 0.000 0.246 16 I C 2.566 178.444 176.117 -0.399 0.000 1.106 16 I CA 1.330 62.465 61.300 -0.274 0.000 1.411 16 I CB -1.794 35.956 38.000 -0.417 0.000 1.082 16 I HN 0.249 nan 8.210 nan 0.000 0.420 17 T N 2.098 116.547 114.554 -0.174 0.000 2.720 17 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 17 T C -0.329 174.272 174.700 -0.165 0.000 1.037 17 T CA 1.609 63.639 62.100 -0.116 0.000 1.144 17 T CB -1.232 67.779 68.868 0.239 0.000 0.864 17 T HN 0.243 nan 8.240 nan 0.000 0.444 18 P HA 0.081 nan 4.420 nan 0.000 0.220 18 P C 1.609 178.826 177.300 -0.138 0.000 1.152 18 P CA 0.303 63.332 63.100 -0.118 0.000 0.812 18 P CB -0.131 31.513 31.700 -0.093 0.000 0.792 19 L N -0.458 120.664 121.223 -0.169 0.000 2.042 19 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 19 L C 2.060 178.773 176.870 -0.263 0.000 1.076 19 L CA 1.863 56.591 54.840 -0.186 0.000 0.749 19 L CB -1.140 40.807 42.059 -0.188 0.000 0.893 19 L HN -0.131 nan 8.230 nan 0.000 0.432 20 I N -0.550 119.824 120.570 -0.326 0.000 2.226 20 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 20 I C 2.402 178.399 176.117 -0.199 0.000 1.100 20 I CA 0.991 62.098 61.300 -0.321 0.000 1.374 20 I CB -0.409 37.352 38.000 -0.400 0.000 1.057 20 I HN 0.308 nan 8.210 nan 0.000 0.413 21 E N 0.569 120.680 120.200 -0.149 0.000 2.072 21 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 21 E C 2.174 178.723 176.600 -0.084 0.000 0.985 21 E CA 1.171 57.517 56.400 -0.091 0.000 0.801 21 E CB -0.296 29.367 29.700 -0.062 0.000 0.750 21 E HN 0.578 nan 8.360 nan 0.000 0.452 22 Q N 0.153 119.897 119.800 -0.093 0.000 2.084 22 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 22 Q C 1.842 177.800 176.000 -0.069 0.000 0.978 22 Q CA 1.079 56.841 55.803 -0.069 0.000 0.844 22 Q CB 0.092 28.793 28.738 -0.062 0.000 0.898 22 Q HN 0.167 nan 8.270 nan 0.000 0.426 23 Q N 0.078 119.808 119.800 -0.118 0.000 2.319 23 Q HA 0.081 4.421 4.340 -0.000 0.000 0.202 23 Q C -0.361 175.580 176.000 -0.098 0.000 0.896 23 Q CA 0.148 55.884 55.803 -0.112 0.000 0.942 23 Q CB 0.671 29.261 28.738 -0.247 0.000 1.083 23 Q HN 0.280 nan 8.270 nan 0.000 0.510 24 K N 0.887 121.228 120.400 -0.097 0.000 3.148 24 K HA -0.178 4.142 4.320 -0.000 0.000 0.267 24 K C -0.515 176.038 176.600 -0.077 0.000 0.996 24 K CA 0.261 56.505 56.287 -0.072 0.000 0.737 24 K CB -1.900 30.576 32.500 -0.040 0.000 1.308 24 K HN 0.274 nan 8.250 nan 0.000 0.470 25 I N 0.851 121.346 120.570 -0.125 0.000 2.452 25 I HA 0.010 4.180 4.170 -0.000 0.000 0.287 25 I C -0.959 175.133 176.117 -0.043 0.000 1.079 25 I CA -2.025 59.215 61.300 -0.099 0.000 1.387 25 I CB 0.817 38.691 38.000 -0.209 0.000 1.404 25 I HN 0.007 nan 8.210 nan 0.000 0.522 26 P HA -0.015 nan 4.420 nan 0.000 0.216 26 P C 0.341 177.695 177.300 0.090 0.000 1.153 26 P CA 0.517 63.610 63.100 -0.012 0.000 0.844 26 P CB 0.295 31.898 31.700 -0.162 0.000 0.787 27 G N -1.320 107.590 108.800 0.183 0.000 2.706 27 G HA2 0.658 4.618 3.960 -0.000 0.000 0.297 27 G HA3 0.658 4.618 3.960 -0.000 0.000 0.297 27 G C -1.912 173.226 174.900 0.396 0.000 1.403 27 G CA -0.341 44.936 45.100 0.296 0.000 0.954 27 G HN 0.020 nan 8.290 nan 0.000 0.500 28 M N 1.437 121.304 119.600 0.446 0.000 2.413 28 M HA 0.801 5.281 4.480 -0.000 0.000 0.287 28 M C -1.343 175.278 176.300 0.535 0.000 1.186 28 M CA -0.341 55.191 55.300 0.388 0.000 0.927 28 M CB 2.301 34.974 32.600 0.121 0.000 1.715 28 M HN 1.235 nan 8.290 nan 0.000 0.478 29 A N 3.360 126.361 122.820 0.302 0.000 2.393 29 A HA 0.901 5.221 4.320 -0.000 0.000 0.306 29 A C -1.734 176.060 177.584 0.350 0.000 1.050 29 A CA -0.654 51.605 52.037 0.370 0.000 0.724 29 A CB 1.669 20.821 19.000 0.253 0.000 1.248 29 A HN 0.744 nan 8.150 nan 0.000 0.424 30 V N 0.763 121.004 119.914 0.545 0.000 2.789 30 V HA 0.830 4.950 4.120 -0.000 0.000 0.311 30 V C 0.070 176.491 176.094 0.545 0.000 1.073 30 V CA -0.214 62.385 62.300 0.498 0.000 0.921 30 V CB 1.948 34.108 31.823 0.562 0.000 1.009 30 V HN 1.456 nan 8.190 nan 0.000 0.426 31 A N 3.541 126.600 122.820 0.399 0.000 2.356 31 A HA 0.894 5.214 4.320 -0.000 0.000 0.310 31 A C -1.217 176.508 177.584 0.236 0.000 1.075 31 A CA -0.552 51.656 52.037 0.285 0.000 0.746 31 A CB 1.832 20.958 19.000 0.210 0.000 1.221 31 A HN 0.659 nan 8.150 nan 0.000 0.443 32 V N 3.169 123.233 119.914 0.250 0.000 2.495 32 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 32 V C -0.884 175.321 176.094 0.185 0.000 1.031 32 V CA -0.320 62.118 62.300 0.231 0.000 0.871 32 V CB 1.477 33.475 31.823 0.292 0.000 0.988 32 V HN 0.727 nan 8.190 nan 0.000 0.432 33 I N 5.683 126.325 120.570 0.119 0.000 2.312 33 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 33 I C -0.762 175.460 176.117 0.176 0.000 1.008 33 I CA -0.276 61.065 61.300 0.068 0.000 1.226 33 I CB 0.923 38.901 38.000 -0.037 0.000 1.371 33 I HN 0.587 nan 8.210 nan 0.000 0.468 34 Y N 5.297 125.665 120.300 0.115 0.000 2.361 34 Y HA 0.345 4.895 4.550 0.000 0.000 0.337 34 Y C 0.202 176.152 175.900 0.083 0.000 0.965 34 Y CA -0.901 57.263 58.100 0.107 0.000 1.091 34 Y CB 1.246 39.804 38.460 0.162 0.000 1.182 34 Y HN 0.679 nan 8.280 nan 0.000 0.450 35 Q N 4.595 124.110 119.800 -0.475 0.000 2.453 35 Q HA -0.275 4.065 4.340 -0.000 0.000 0.294 35 Q C 1.106 177.007 176.000 -0.164 0.000 1.295 35 Q CA 1.205 56.788 55.803 -0.367 0.000 0.853 35 Q CB -1.630 26.854 28.738 -0.424 0.000 1.193 35 Q HN 1.401 nan 8.270 nan 0.000 0.461 36 G N -1.091 107.629 108.800 -0.132 0.000 2.245 36 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 36 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 36 G C 0.051 174.892 174.900 -0.099 0.000 0.985 36 G CA 0.725 45.758 45.100 -0.111 0.000 0.625 36 G HN 0.191 nan 8.290 nan 0.000 0.536 37 K N 1.272 121.627 120.400 -0.076 0.000 2.123 37 K HA 0.569 4.889 4.320 -0.000 0.000 0.259 37 K C -2.600 173.780 176.600 -0.367 0.000 0.960 37 K CA -2.104 54.069 56.287 -0.189 0.000 0.872 37 K CB 2.518 34.912 32.500 -0.176 0.000 1.079 37 K HN 0.221 nan 8.250 nan 0.000 0.440 38 P HA 0.352 nan 4.420 nan 0.000 0.290 38 P C -1.342 175.266 177.300 -1.153 0.000 1.275 38 P CA -0.510 62.195 63.100 -0.658 0.000 0.841 38 P CB 0.722 32.121 31.700 -0.502 0.000 1.042 39 Y N 0.711 120.708 120.300 -0.505 0.000 2.442 39 Y HA 0.459 5.009 4.550 -0.000 0.000 0.344 39 Y C -0.121 175.379 175.900 -0.666 0.000 0.976 39 Y CA -0.453 57.365 58.100 -0.471 0.000 1.040 39 Y CB 1.903 40.284 38.460 -0.131 0.000 1.228 39 Y HN 0.288 nan 8.280 nan 0.000 0.451 40 Y N 2.296 122.404 120.300 -0.320 0.000 2.468 40 Y HA 0.732 5.282 4.550 -0.000 0.000 0.342 40 Y C -1.043 174.379 175.900 -0.798 0.000 1.021 40 Y CA -1.285 56.630 58.100 -0.308 0.000 1.079 40 Y CB 1.710 40.085 38.460 -0.142 0.000 1.226 40 Y HN 0.391 nan 8.280 nan 0.000 0.460 41 F N 0.185 120.238 119.950 0.173 0.000 2.581 41 F HA 0.634 5.161 4.527 -0.000 0.000 0.311 41 F C -0.380 175.326 175.800 -0.156 0.000 1.113 41 F CA -0.922 56.997 58.000 -0.135 0.000 0.935 41 F CB 2.494 41.381 39.000 -0.188 0.000 1.232 41 F HN 0.398 nan 8.300 nan 0.000 0.445 42 T N -1.556 112.835 114.554 -0.271 0.000 2.903 42 T HA 0.675 5.025 4.350 -0.000 0.000 0.299 42 T C -1.584 173.007 174.700 -0.181 0.000 1.093 42 T CA -0.778 61.324 62.100 0.003 0.000 1.002 42 T CB 1.978 70.898 68.868 0.087 0.000 1.127 42 T HN 0.627 nan 8.240 nan 0.000 0.488 43 W N 0.234 121.613 121.300 0.131 0.000 3.217 43 W HA 0.495 5.155 4.660 -0.000 0.000 0.323 43 W C 0.771 177.297 176.519 0.012 0.000 1.216 43 W CA -0.246 57.135 57.345 0.060 0.000 1.194 43 W CB 1.780 31.279 29.460 0.064 0.000 1.397 43 W HN 1.399 nan 8.180 nan 0.000 0.537 44 G N 1.413 110.275 108.800 0.103 0.000 2.569 44 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.259 44 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.259 44 G C -1.566 173.209 174.900 -0.207 0.000 1.263 44 G CA -0.236 44.772 45.100 -0.152 0.000 0.928 44 G HN 0.552 nan 8.290 nan 0.000 0.572 45 Y N -0.070 120.315 120.300 0.141 0.000 2.429 45 Y HA 0.583 5.133 4.550 -0.000 0.000 0.342 45 Y C 1.308 177.306 175.900 0.162 0.000 1.004 45 Y CA -0.318 57.858 58.100 0.125 0.000 1.075 45 Y CB 2.029 40.529 38.460 0.067 0.000 1.214 45 Y HN 0.809 nan 8.280 nan 0.000 0.455 46 A N 0.834 123.858 122.820 0.340 0.000 1.975 46 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 46 A C 0.250 178.038 177.584 0.340 0.000 1.170 46 A CA 1.277 53.457 52.037 0.237 0.000 0.656 46 A CB 0.074 19.152 19.000 0.131 0.000 0.821 46 A HN 0.672 nan 8.150 nan 0.000 0.449 47 D N -0.948 119.649 120.400 0.329 0.000 2.476 47 D HA 0.393 5.033 4.640 -0.000 0.000 0.251 47 D C 0.640 177.007 176.300 0.112 0.000 1.291 47 D CA -0.441 53.762 54.000 0.339 0.000 0.939 47 D CB 0.777 41.758 40.800 0.301 0.000 1.221 47 D HN 0.144 nan 8.370 nan 0.000 0.567 48 I N 2.265 122.885 120.570 0.083 0.000 2.179 48 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 48 I C 2.480 178.450 176.117 -0.245 0.000 1.088 48 I CA 1.225 62.413 61.300 -0.187 0.000 1.357 48 I CB -0.125 37.716 38.000 -0.265 0.000 1.051 48 I HN 0.440 nan 8.210 nan 0.000 0.409 49 A N 0.936 123.681 122.820 -0.124 0.000 1.883 49 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 49 A C 2.219 179.718 177.584 -0.141 0.000 1.186 49 A CA 1.794 53.752 52.037 -0.131 0.000 0.624 49 A CB -0.472 18.459 19.000 -0.116 0.000 0.822 49 A HN 0.373 nan 8.150 nan 0.000 0.444 50 K N -0.890 119.443 120.400 -0.112 0.000 2.444 50 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 50 K C -0.279 176.228 176.600 -0.155 0.000 1.024 50 K CA 0.224 56.459 56.287 -0.088 0.000 1.077 50 K CB 0.092 32.587 32.500 -0.008 0.000 0.833 50 K HN 0.418 nan 8.250 nan 0.000 0.517 51 K N 1.552 121.736 120.400 -0.360 0.000 3.077 51 K HA -0.237 4.083 4.320 -0.000 0.000 0.264 51 K C -0.414 176.079 176.600 -0.179 0.000 1.008 51 K CA 0.408 56.288 56.287 -0.678 0.000 0.740 51 K CB -1.332 30.907 32.500 -0.435 0.000 1.273 51 K HN 0.358 nan 8.250 nan 0.000 0.477 52 Q N 1.315 121.106 119.800 -0.015 0.000 2.314 52 Q HA 0.190 4.530 4.340 -0.000 0.000 0.257 52 Q C -2.179 174.023 176.000 0.337 0.000 0.975 52 Q CA -2.111 53.783 55.803 0.152 0.000 0.933 52 Q CB 1.007 29.823 28.738 0.129 0.000 1.195 52 Q HN 0.019 nan 8.270 nan 0.000 0.426 53 P HA -0.027 nan 4.420 nan 0.000 0.272 53 P C -0.517 176.907 177.300 0.206 0.000 1.223 53 P CA -0.188 63.082 63.100 0.283 0.000 0.784 53 P CB 0.960 32.763 31.700 0.171 0.000 0.923 54 V N 2.991 123.029 119.914 0.206 0.000 2.572 54 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 54 V C 1.244 177.444 176.094 0.177 0.000 1.039 54 V CA 0.769 63.210 62.300 0.234 0.000 1.055 54 V CB 0.386 32.429 31.823 0.366 0.000 0.969 54 V HN 0.881 nan 8.190 nan 0.000 0.482 55 T N 1.469 116.115 114.554 0.153 0.000 2.831 55 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 55 T C 0.396 175.142 174.700 0.077 0.000 1.070 55 T CA -0.729 61.420 62.100 0.083 0.000 1.010 55 T CB 1.651 70.539 68.868 0.033 0.000 1.264 55 T HN 0.381 nan 8.240 nan 0.000 0.532 56 Q N 0.041 119.827 119.800 -0.024 0.000 2.500 56 Q HA -0.016 4.324 4.340 -0.000 0.000 0.213 56 Q C 1.502 177.444 176.000 -0.097 0.000 0.974 56 Q CA 0.935 56.672 55.803 -0.110 0.000 0.918 56 Q CB 0.021 28.585 28.738 -0.290 0.000 0.980 56 Q HN 0.504 nan 8.270 nan 0.000 0.505 57 Q N -0.984 118.775 119.800 -0.069 0.000 2.282 57 Q HA 0.120 4.460 4.340 -0.000 0.000 0.206 57 Q C 0.050 176.034 176.000 -0.027 0.000 0.878 57 Q CA 0.233 55.965 55.803 -0.119 0.000 0.944 57 Q CB 0.397 29.040 28.738 -0.158 0.000 1.100 57 Q HN 0.063 nan 8.270 nan 0.000 0.509 58 T N 2.552 117.142 114.554 0.061 0.000 2.834 58 T HA 0.299 4.649 4.350 -0.000 0.000 0.298 58 T C 0.013 174.774 174.700 0.101 0.000 0.966 58 T CA -0.198 61.936 62.100 0.057 0.000 1.141 58 T CB 0.437 69.335 68.868 0.051 0.000 0.905 58 T HN 0.008 nan 8.240 nan 0.000 0.535 59 L N 4.220 125.458 121.223 0.026 0.000 2.292 59 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 59 L C -0.399 176.487 176.870 0.028 0.000 1.065 59 L CA 0.013 54.885 54.840 0.053 0.000 0.806 59 L CB 0.326 42.330 42.059 -0.091 0.000 1.175 59 L HN 0.534 nan 8.230 nan 0.000 0.431 60 F N 0.631 120.622 119.950 0.069 0.000 2.522 60 F HA 0.410 4.937 4.527 0.000 0.000 0.324 60 F C 0.477 176.072 175.800 -0.341 0.000 1.077 60 F CA -0.897 57.119 58.000 0.027 0.000 0.944 60 F CB 1.361 40.505 39.000 0.240 0.000 1.175 60 F HN 0.403 nan 8.300 nan 0.000 0.468 61 E N 2.904 122.598 120.200 -0.843 0.000 2.324 61 E HA 0.137 4.487 4.350 -0.000 0.000 0.271 61 E C 0.476 176.986 176.600 -0.151 0.000 1.028 61 E CA -0.015 56.049 56.400 -0.561 0.000 0.890 61 E CB 0.809 30.039 29.700 -0.784 0.000 1.004 61 E HN 0.617 nan 8.360 nan 0.000 0.431 62 L N 2.871 124.083 121.223 -0.018 0.000 2.418 62 L HA 0.070 4.410 4.340 -0.000 0.000 0.218 62 L C 1.421 178.380 176.870 0.149 0.000 1.125 62 L CA 0.429 55.329 54.840 0.100 0.000 0.835 62 L CB -0.848 41.270 42.059 0.098 0.000 0.953 62 L HN 0.895 nan 8.230 nan 0.000 0.454 63 G N 0.545 109.432 108.800 0.145 0.000 2.582 63 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.288 63 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.288 63 G C 0.829 175.871 174.900 0.236 0.000 1.247 63 G CA 0.358 45.580 45.100 0.203 0.000 0.972 63 G HN 0.210 nan 8.290 nan 0.000 0.557 64 S N -0.279 115.562 115.700 0.236 0.000 2.493 64 S HA -0.009 4.461 4.470 -0.000 0.000 0.243 64 S C 2.353 177.084 174.600 0.219 0.000 0.991 64 S CA 1.322 59.678 58.200 0.259 0.000 0.957 64 S CB -0.138 63.248 63.200 0.310 0.000 0.756 64 S HN 0.759 nan 8.310 nan 0.000 0.521 65 V N 1.659 121.691 119.914 0.198 0.000 2.867 65 V HA -0.137 3.983 4.120 -0.000 0.000 0.260 65 V C 2.123 178.343 176.094 0.211 0.000 1.099 65 V CA 1.420 63.823 62.300 0.171 0.000 1.122 65 V CB -0.805 31.143 31.823 0.209 0.000 0.708 65 V HN 0.461 nan 8.190 nan 0.000 0.490 66 S N -0.215 115.626 115.700 0.235 0.000 2.419 66 S HA -0.236 4.234 4.470 -0.000 0.000 0.235 66 S C 1.901 176.660 174.600 0.265 0.000 1.019 66 S CA 1.284 59.648 58.200 0.274 0.000 0.982 66 S CB -0.273 63.022 63.200 0.158 0.000 0.789 66 S HN 0.643 nan 8.310 nan 0.000 0.490 67 K N 0.906 121.417 120.400 0.185 0.000 2.280 67 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 67 K C 2.436 179.073 176.600 0.061 0.000 1.047 67 K CA 1.568 57.946 56.287 0.151 0.000 0.942 67 K CB -0.435 32.175 32.500 0.183 0.000 0.739 67 K HN 0.622 nan 8.250 nan 0.000 0.457 68 T N -1.298 113.200 114.554 -0.092 0.000 2.857 68 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 68 T C 1.745 176.459 174.700 0.023 0.000 1.048 68 T CA 0.751 62.617 62.100 -0.390 0.000 1.139 68 T CB -0.362 67.850 68.868 -1.093 0.000 0.874 68 T HN 0.020 nan 8.240 nan 0.000 0.455 69 F N 2.179 122.185 119.950 0.093 0.000 2.146 69 F HA 0.037 4.564 4.527 0.000 0.000 0.298 69 F C 3.006 178.865 175.800 0.099 0.000 1.096 69 F CA 1.345 59.360 58.000 0.026 0.000 1.275 69 F CB -1.072 37.815 39.000 -0.188 0.000 1.008 69 F HN 0.132 nan 8.300 nan 0.000 0.480 70 T N -0.588 114.160 114.554 0.324 0.000 2.746 70 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 70 T C 2.358 177.240 174.700 0.303 0.000 1.039 70 T CA 1.401 63.699 62.100 0.331 0.000 1.142 70 T CB -1.003 68.059 68.868 0.323 0.000 0.866 70 T HN 0.443 nan 8.240 nan 0.000 0.444 71 G N 0.908 109.857 108.800 0.247 0.000 2.418 71 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 71 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 71 G C 1.693 176.747 174.900 0.257 0.000 1.158 71 G CA 0.765 46.008 45.100 0.239 0.000 0.771 71 G HN 0.433 nan 8.290 nan 0.000 0.545 72 V N 0.567 120.640 119.914 0.266 0.000 2.427 72 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 72 V C 2.666 178.874 176.094 0.191 0.000 1.051 72 V CA 1.497 63.960 62.300 0.271 0.000 1.048 72 V CB -0.296 31.779 31.823 0.420 0.000 0.666 72 V HN 0.345 nan 8.190 nan 0.000 0.456 73 L N 1.292 122.603 121.223 0.146 0.000 2.046 73 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 73 L C 2.322 179.200 176.870 0.013 0.000 1.077 73 L CA 2.413 57.259 54.840 0.010 0.000 0.747 73 L CB -1.236 40.746 42.059 -0.127 0.000 0.896 73 L HN 0.267 nan 8.230 nan 0.000 0.432 74 G N -1.165 107.696 108.800 0.102 0.000 2.418 74 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 74 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 74 G C 1.530 176.530 174.900 0.165 0.000 1.158 74 G CA 0.543 45.716 45.100 0.122 0.000 0.771 74 G HN 0.584 nan 8.290 nan 0.000 0.545 75 G N 0.648 109.559 108.800 0.185 0.000 2.440 75 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 75 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 75 G C 1.449 176.402 174.900 0.088 0.000 1.154 75 G CA 1.397 46.583 45.100 0.143 0.000 0.767 75 G HN 0.512 nan 8.290 nan 0.000 0.552 76 D N 0.467 120.906 120.400 0.065 0.000 2.144 76 D HA 0.051 4.691 4.640 -0.000 0.000 0.199 76 D C 2.648 178.950 176.300 0.003 0.000 0.984 76 D CA 1.377 55.394 54.000 0.028 0.000 0.834 76 D CB -0.254 40.553 40.800 0.011 0.000 0.955 76 D HN 0.245 nan 8.370 nan 0.000 0.465 77 A N -0.009 122.801 122.820 -0.016 0.000 1.933 77 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 77 A C 2.301 179.880 177.584 -0.008 0.000 1.175 77 A CA 0.998 53.012 52.037 -0.040 0.000 0.628 77 A CB -0.708 18.232 19.000 -0.099 0.000 0.814 77 A HN 0.383 nan 8.150 nan 0.000 0.444 78 I N -0.260 120.324 120.570 0.023 0.000 2.202 78 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 78 I C 2.956 179.095 176.117 0.037 0.000 1.091 78 I CA 1.072 62.398 61.300 0.043 0.000 1.368 78 I CB -0.335 37.710 38.000 0.075 0.000 1.058 78 I HN 0.335 nan 8.210 nan 0.000 0.410 79 A N 0.718 123.559 122.820 0.035 0.000 1.978 79 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 79 A C 2.304 179.897 177.584 0.015 0.000 1.170 79 A CA 1.449 53.502 52.037 0.026 0.000 0.636 79 A CB -0.580 18.435 19.000 0.025 0.000 0.810 79 A HN 0.348 nan 8.150 nan 0.000 0.448 80 R N -1.438 119.067 120.500 0.008 0.000 2.307 80 R HA 0.134 4.474 4.340 -0.000 0.000 0.199 80 R C 1.323 177.628 176.300 0.009 0.000 1.000 80 R CA 0.531 56.631 56.100 0.001 0.000 1.023 80 R CB -0.215 30.078 30.300 -0.012 0.000 0.908 80 R HN 0.710 nan 8.270 nan 0.000 0.473 81 G N 1.041 109.852 108.800 0.019 0.000 2.148 81 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 81 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 81 G C 0.525 175.448 174.900 0.039 0.000 0.981 81 G CA 0.565 45.682 45.100 0.029 0.000 0.670 81 G HN 0.455 nan 8.290 nan 0.000 0.528 82 E N -0.589 119.628 120.200 0.028 0.000 2.170 82 E HA 0.253 4.603 4.350 -0.000 0.000 0.191 82 E C 1.514 178.164 176.600 0.082 0.000 0.981 82 E CA 1.129 57.552 56.400 0.039 0.000 0.830 82 E CB 0.198 29.896 29.700 -0.003 0.000 0.775 82 E HN 0.903 nan 8.360 nan 0.000 0.470 83 I N -2.686 117.908 120.570 0.039 0.000 3.095 83 I HA 0.490 4.660 4.170 -0.000 0.000 0.310 83 I C -1.365 174.798 176.117 0.077 0.000 1.196 83 I CA -1.248 60.071 61.300 0.031 0.000 0.985 83 I CB 2.314 40.144 38.000 -0.283 0.000 1.250 83 I HN -0.356 nan 8.210 nan 0.000 0.446 84 K N 2.914 123.398 120.400 0.141 0.000 2.378 84 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 84 K C 0.076 176.746 176.600 0.117 0.000 0.931 84 K CA -0.757 55.604 56.287 0.124 0.000 0.794 84 K CB 2.924 35.506 32.500 0.137 0.000 1.181 84 K HN 0.627 nan 8.250 nan 0.000 0.425 85 L N 1.103 122.375 121.223 0.082 0.000 2.362 85 L HA -0.159 4.181 4.340 -0.000 0.000 0.219 85 L C 1.930 178.825 176.870 0.042 0.000 1.134 85 L CA 1.260 56.128 54.840 0.047 0.000 0.807 85 L CB -0.268 41.779 42.059 -0.019 0.000 0.927 85 L HN 0.688 nan 8.230 nan 0.000 0.447 86 S N -2.778 112.963 115.700 0.067 0.000 2.562 86 S HA 0.017 4.487 4.470 -0.000 0.000 0.221 86 S C 0.566 175.230 174.600 0.107 0.000 0.975 86 S CA -0.269 57.968 58.200 0.062 0.000 0.918 86 S CB -0.279 62.957 63.200 0.060 0.000 0.772 86 S HN 0.213 nan 8.310 nan 0.000 0.531 87 D N 3.919 124.422 120.400 0.172 0.000 2.341 87 D HA 0.328 4.968 4.640 -0.000 0.000 0.245 87 D C -2.372 174.079 176.300 0.251 0.000 1.106 87 D CA -1.650 52.485 54.000 0.225 0.000 0.905 87 D CB 0.875 41.894 40.800 0.364 0.000 1.202 87 D HN 0.176 nan 8.370 nan 0.000 0.426 88 P HA 0.015 nan 4.420 nan 0.000 0.271 88 P C 0.549 178.016 177.300 0.279 0.000 1.218 88 P CA -0.173 63.059 63.100 0.220 0.000 0.780 88 P CB 0.764 32.558 31.700 0.158 0.000 0.901 89 T N 1.359 116.104 114.554 0.318 0.000 2.699 89 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 89 T C 1.645 176.489 174.700 0.240 0.000 1.036 89 T CA 2.168 64.460 62.100 0.319 0.000 1.147 89 T CB -0.915 68.144 68.868 0.318 0.000 0.862 89 T HN 0.519 nan 8.240 nan 0.000 0.446 90 T N 1.391 116.035 114.554 0.150 0.000 2.977 90 T HA -0.051 4.299 4.350 -0.000 0.000 0.271 90 T C 1.829 176.535 174.700 0.010 0.000 1.105 90 T CA 0.926 63.061 62.100 0.059 0.000 1.116 90 T CB -0.142 68.744 68.868 0.030 0.000 0.878 90 T HN 0.453 nan 8.240 nan 0.000 0.509 91 K N 0.349 120.706 120.400 -0.071 0.000 2.147 91 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 91 K C 1.106 177.424 176.600 -0.469 0.000 1.049 91 K CA 1.403 57.485 56.287 -0.342 0.000 0.936 91 K CB -0.106 32.032 32.500 -0.604 0.000 0.722 91 K HN 0.462 nan 8.250 nan 0.000 0.446 92 Y N -2.557 117.780 120.300 0.063 0.000 2.449 92 Y HA 0.116 4.666 4.550 -0.000 0.000 0.254 92 Y C 0.170 176.125 175.900 0.091 0.000 1.140 92 Y CA -0.601 57.523 58.100 0.038 0.000 1.272 92 Y CB 0.566 39.022 38.460 -0.007 0.000 1.114 92 Y HN 0.122 nan 8.280 nan 0.000 0.525 93 W N 3.771 125.061 121.300 -0.017 0.000 2.162 93 W HA 0.369 5.029 4.660 -0.000 0.000 0.292 93 W C -2.385 174.079 176.519 -0.092 0.000 0.998 93 W CA -3.524 53.776 57.345 -0.075 0.000 1.570 93 W CB 0.950 30.319 29.460 -0.151 0.000 1.644 93 W HN -0.164 nan 8.180 nan 0.000 0.360 94 P HA -0.224 nan 4.420 nan 0.000 0.219 94 P C 0.753 178.012 177.300 -0.067 0.000 1.146 94 P CA 1.818 64.928 63.100 0.017 0.000 0.808 94 P CB 0.528 32.242 31.700 0.024 0.000 0.779 95 E N -0.451 119.695 120.200 -0.091 0.000 2.338 95 E HA -0.054 4.296 4.350 -0.000 0.000 0.197 95 E C 0.895 177.217 176.600 -0.464 0.000 1.007 95 E CA 0.232 56.500 56.400 -0.221 0.000 0.849 95 E CB -0.824 28.799 29.700 -0.129 0.000 0.774 95 E HN 0.165 nan 8.360 nan 0.000 0.506 96 L N 1.692 122.505 121.223 -0.683 0.000 2.384 96 L HA 0.109 4.449 4.340 -0.000 0.000 0.258 96 L C 0.746 177.395 176.870 -0.368 0.000 1.266 96 L CA 0.363 54.738 54.840 -0.776 0.000 1.162 96 L CB -0.239 41.160 42.059 -1.100 0.000 1.375 96 L HN 0.033 nan 8.230 nan 0.000 0.420 97 T N -0.468 113.951 114.554 -0.224 0.000 3.060 97 T HA 0.364 4.714 4.350 -0.000 0.000 0.249 97 T C 0.912 175.622 174.700 0.016 0.000 1.079 97 T CA 0.209 62.264 62.100 -0.076 0.000 1.013 97 T CB -0.011 68.819 68.868 -0.064 0.000 0.975 97 T HN 0.522 nan 8.240 nan 0.000 0.518 98 A N 2.663 125.519 122.820 0.060 0.000 2.498 98 A HA 0.316 4.636 4.320 -0.000 0.000 0.239 98 A C 1.659 179.365 177.584 0.203 0.000 1.068 98 A CA -0.151 51.974 52.037 0.147 0.000 0.766 98 A CB 0.289 19.414 19.000 0.207 0.000 1.003 98 A HN 0.620 nan 8.150 nan 0.000 0.497 99 K N 1.515 121.979 120.400 0.106 0.000 2.211 99 K HA -0.225 4.095 4.320 -0.000 0.000 0.204 99 K C 1.383 178.019 176.600 0.059 0.000 1.047 99 K CA 1.585 57.917 56.287 0.075 0.000 0.935 99 K CB -0.097 32.417 32.500 0.025 0.000 0.728 99 K HN 0.812 nan 8.250 nan 0.000 0.452 100 Q N 0.303 120.108 119.800 0.009 0.000 2.437 100 Q HA -0.146 4.194 4.340 -0.000 0.000 0.210 100 Q C 0.772 176.665 176.000 -0.178 0.000 0.972 100 Q CA 1.040 56.753 55.803 -0.150 0.000 0.903 100 Q CB -0.404 28.134 28.738 -0.333 0.000 0.967 100 Q HN 0.585 nan 8.270 nan 0.000 0.486 101 W N 1.814 123.169 121.300 0.091 0.000 3.139 101 W HA 0.177 4.837 4.660 -0.000 0.000 0.260 101 W C 0.095 176.682 176.519 0.112 0.000 1.312 101 W CA -0.587 56.838 57.345 0.134 0.000 1.606 101 W CB 0.207 29.728 29.460 0.102 0.000 1.118 101 W HN -0.025 nan 8.180 nan 0.000 0.675 102 N N 0.718 119.550 118.700 0.220 0.000 2.475 102 N HA 0.239 4.979 4.740 -0.000 0.000 0.267 102 N C 1.118 176.718 175.510 0.150 0.000 1.169 102 N CA 1.496 54.648 53.050 0.170 0.000 0.947 102 N CB 0.919 39.473 38.487 0.111 0.000 1.061 102 N HN 0.231 nan 8.380 nan 0.000 0.466 103 G N 1.622 110.532 108.800 0.183 0.000 2.213 103 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.236 103 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.236 103 G C 0.090 175.165 174.900 0.292 0.000 0.991 103 G CA -0.422 44.796 45.100 0.196 0.000 0.629 103 G HN 0.542 nan 8.290 nan 0.000 0.517 104 I N 3.079 123.843 120.570 0.323 0.000 2.312 104 I HA 0.414 4.584 4.170 -0.000 0.000 0.291 104 I C 1.135 177.548 176.117 0.494 0.000 1.031 104 I CA 0.133 61.711 61.300 0.462 0.000 1.293 104 I CB 1.183 39.395 38.000 0.353 0.000 1.403 104 I HN 0.307 nan 8.210 nan 0.000 0.484 105 T N 2.977 117.833 114.554 0.503 0.000 2.923 105 T HA 0.456 4.806 4.350 -0.000 0.000 0.281 105 T C 1.207 176.015 174.700 0.181 0.000 0.995 105 T CA -0.884 61.347 62.100 0.218 0.000 0.985 105 T CB 1.477 70.341 68.868 -0.007 0.000 1.114 105 T HN 0.412 nan 8.240 nan 0.000 0.548 106 L N 0.316 121.640 121.223 0.169 0.000 2.131 106 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 106 L C 2.522 179.386 176.870 -0.009 0.000 1.092 106 L CA 0.872 55.821 54.840 0.181 0.000 0.759 106 L CB -0.779 41.409 42.059 0.215 0.000 0.903 106 L HN 0.603 nan 8.230 nan 0.000 0.435 107 L N -0.584 120.572 121.223 -0.110 0.000 2.012 107 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 107 L C 2.718 179.525 176.870 -0.106 0.000 1.073 107 L CA 1.904 56.614 54.840 -0.217 0.000 0.748 107 L CB -0.762 41.182 42.059 -0.192 0.000 0.891 107 L HN 0.241 nan 8.230 nan 0.000 0.431 108 H N -0.277 118.853 119.070 0.100 0.000 2.352 108 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 108 H C 2.373 177.696 175.328 -0.008 0.000 1.097 108 H CA 2.025 58.125 56.048 0.085 0.000 1.311 108 H CB -0.515 29.323 29.762 0.127 0.000 1.377 108 H HN 0.376 nan 8.280 nan 0.000 0.504 109 L N 0.090 121.394 121.223 0.134 0.000 2.017 109 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 109 L C 2.856 179.637 176.870 -0.149 0.000 1.073 109 L CA 1.016 55.900 54.840 0.072 0.000 0.745 109 L CB -0.590 41.581 42.059 0.185 0.000 0.894 109 L HN 0.209 nan 8.230 nan 0.000 0.432 110 A N -0.187 122.371 122.820 -0.437 0.000 2.019 110 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 110 A C 2.083 179.238 177.584 -0.716 0.000 1.164 110 A CA 2.088 53.615 52.037 -0.850 0.000 0.644 110 A CB -0.700 17.367 19.000 -1.554 0.000 0.805 110 A HN 0.529 nan 8.150 nan 0.000 0.449 111 T N -6.328 107.919 114.554 -0.513 0.000 3.129 111 T HA 0.335 4.685 4.350 -0.000 0.000 0.267 111 T C 0.265 174.730 174.700 -0.392 0.000 1.018 111 T CA 0.223 62.050 62.100 -0.455 0.000 0.903 111 T CB -0.789 68.108 68.868 0.048 0.000 1.067 111 T HN 0.686 nan 8.240 nan 0.000 0.549 112 Y N 0.905 121.187 120.300 -0.029 0.000 4.177 112 Y HA -0.277 4.273 4.550 0.000 0.000 0.227 112 Y C 1.177 177.039 175.900 -0.064 0.000 1.154 112 Y CA 0.561 58.645 58.100 -0.028 0.000 1.887 112 Y CB -2.945 35.514 38.460 -0.002 0.000 1.594 112 Y HN 0.593 nan 8.280 nan 0.000 0.668 113 T N -4.212 110.328 114.554 -0.023 0.000 3.215 113 T HA 0.656 5.006 4.350 -0.000 0.000 0.271 113 T C 1.345 176.002 174.700 -0.073 0.000 1.012 113 T CA 0.139 62.146 62.100 -0.156 0.000 0.899 113 T CB 0.796 69.333 68.868 -0.552 0.000 1.089 113 T HN 0.482 nan 8.240 nan 0.000 0.552 114 A N 1.297 124.144 122.820 0.044 0.000 2.119 114 A HA 0.566 4.886 4.320 -0.000 0.000 0.217 114 A C 1.882 179.531 177.584 0.108 0.000 1.153 114 A CA 0.602 52.655 52.037 0.027 0.000 0.692 114 A CB -0.814 18.208 19.000 0.036 0.000 0.799 114 A HN 1.475 nan 8.150 nan 0.000 0.458 115 G N -3.119 105.817 108.800 0.227 0.000 2.189 115 G HA2 0.392 4.352 3.960 -0.000 0.000 0.113 115 G HA3 0.392 4.352 3.960 -0.000 0.000 0.113 115 G C 0.999 176.202 174.900 0.505 0.000 1.038 115 G CA 0.365 45.696 45.100 0.386 0.000 0.704 115 G HN 1.977 nan 8.290 nan 0.000 0.490 116 G N -0.954 108.173 108.800 0.544 0.000 2.135 116 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.183 116 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.183 116 G C 0.476 175.639 174.900 0.438 0.000 1.004 116 G CA -0.004 45.359 45.100 0.438 0.000 0.677 116 G HN 1.260 nan 8.290 nan 0.000 0.512 117 L N 2.087 123.432 121.223 0.204 0.000 2.514 117 L HA 0.230 4.570 4.340 -0.000 0.000 0.280 117 L C -0.778 176.167 176.870 0.125 0.000 1.223 117 L CA -1.089 53.670 54.840 -0.134 0.000 0.864 117 L CB 0.340 42.257 42.059 -0.237 0.000 1.118 117 L HN 0.110 nan 8.230 nan 0.000 0.494 118 P HA -0.043 nan 4.420 nan 0.000 0.271 118 P C 0.542 177.916 177.300 0.123 0.000 1.218 118 P CA -0.521 62.687 63.100 0.181 0.000 0.780 118 P CB 1.152 32.989 31.700 0.228 0.000 0.901 119 L N 1.455 122.742 121.223 0.108 0.000 2.021 119 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 119 L C 0.881 177.785 176.870 0.057 0.000 1.074 119 L CA 2.086 56.972 54.840 0.078 0.000 0.760 119 L CB -0.739 41.378 42.059 0.097 0.000 0.889 119 L HN 0.405 nan 8.230 nan 0.000 0.433 120 Q N -0.619 119.210 119.800 0.049 0.000 2.345 120 Q HA 0.404 4.744 4.340 -0.000 0.000 0.268 120 Q C -0.802 175.170 176.000 -0.048 0.000 1.054 120 Q CA -0.860 54.953 55.803 0.016 0.000 0.835 120 Q CB 2.070 30.809 28.738 0.002 0.000 1.339 120 Q HN -0.053 nan 8.270 nan 0.000 0.447 121 V N 3.236 123.085 119.914 -0.108 0.000 2.637 121 V HA 0.135 4.255 4.120 -0.000 0.000 0.296 121 V C -1.947 173.962 176.094 -0.309 0.000 1.046 121 V CA -1.139 60.941 62.300 -0.367 0.000 1.066 121 V CB 0.429 32.059 31.823 -0.321 0.000 0.968 121 V HN 0.607 nan 8.190 nan 0.000 0.483 122 P HA 0.019 nan 4.420 nan 0.000 0.265 122 P C 0.377 177.587 177.300 -0.151 0.000 1.187 122 P CA 0.009 62.980 63.100 -0.214 0.000 0.766 122 P CB 0.414 31.995 31.700 -0.198 0.000 0.820 123 D N 2.226 122.582 120.400 -0.074 0.000 2.133 123 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 123 D C 1.133 177.411 176.300 -0.036 0.000 0.997 123 D CA 1.648 55.624 54.000 -0.040 0.000 0.840 123 D CB -0.279 40.511 40.800 -0.016 0.000 0.947 123 D HN 0.514 nan 8.370 nan 0.000 0.452 124 E N 0.103 120.280 120.200 -0.038 0.000 2.427 124 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 124 E C 0.234 176.817 176.600 -0.027 0.000 1.028 124 E CA -0.077 56.310 56.400 -0.021 0.000 0.864 124 E CB 0.274 29.970 29.700 -0.006 0.000 0.813 124 E HN 0.045 nan 8.360 nan 0.000 0.514 125 V N 1.821 121.694 119.914 -0.068 0.000 2.479 125 V HA 0.020 4.140 4.120 -0.000 0.000 0.281 125 V C 0.916 176.987 176.094 -0.039 0.000 1.031 125 V CA 0.657 62.917 62.300 -0.067 0.000 1.038 125 V CB 1.069 32.783 31.823 -0.182 0.000 0.981 125 V HN 0.182 nan 8.190 nan 0.000 0.478 126 K N 2.176 122.573 120.400 -0.005 0.000 2.606 126 K HA 0.162 4.482 4.320 -0.000 0.000 0.199 126 K C 0.901 177.508 176.600 0.011 0.000 1.403 126 K CA 0.264 56.551 56.287 -0.000 0.000 1.011 126 K CB 0.414 32.917 32.500 0.006 0.000 1.623 126 K HN 0.673 nan 8.250 nan 0.000 0.512 127 S N 0.973 116.689 115.700 0.027 0.000 2.645 127 S HA 0.056 4.526 4.470 -0.000 0.000 0.266 127 S C 1.351 175.987 174.600 0.061 0.000 1.258 127 S CA -0.007 58.214 58.200 0.036 0.000 0.990 127 S CB 1.464 64.688 63.200 0.040 0.000 0.967 127 S HN 0.268 nan 8.310 nan 0.000 0.556 128 S N 0.655 116.391 115.700 0.059 0.000 2.382 128 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 128 S C 1.980 176.680 174.600 0.167 0.000 1.027 128 S CA 1.332 59.587 58.200 0.092 0.000 0.991 128 S CB -1.219 62.016 63.200 0.058 0.000 0.823 128 S HN 0.813 nan 8.310 nan 0.000 0.469 129 S N 1.765 117.541 115.700 0.126 0.000 2.368 129 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 129 S C 1.545 176.231 174.600 0.143 0.000 1.029 129 S CA 1.389 59.668 58.200 0.131 0.000 0.988 129 S CB -0.828 62.425 63.200 0.087 0.000 0.838 129 S HN 0.544 nan 8.310 nan 0.000 0.462 130 D N 1.054 121.527 120.400 0.122 0.000 2.144 130 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 130 D C 1.874 178.289 176.300 0.190 0.000 0.984 130 D CA 0.745 54.818 54.000 0.122 0.000 0.834 130 D CB -0.493 40.352 40.800 0.075 0.000 0.955 130 D HN 0.327 nan 8.370 nan 0.000 0.465 131 L N 0.490 121.852 121.223 0.232 0.000 2.046 131 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 131 L C 2.166 179.379 176.870 0.572 0.000 1.077 131 L CA 1.065 56.133 54.840 0.380 0.000 0.747 131 L CB -0.544 41.731 42.059 0.360 0.000 0.896 131 L HN 0.011 nan 8.230 nan 0.000 0.432 132 L N -0.484 121.038 121.223 0.497 0.000 2.046 132 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 132 L C 2.684 179.630 176.870 0.126 0.000 1.077 132 L CA 1.799 56.807 54.840 0.281 0.000 0.747 132 L CB -0.655 41.519 42.059 0.193 0.000 0.896 132 L HN 0.249 nan 8.230 nan 0.000 0.432 133 R N -1.589 119.005 120.500 0.157 0.000 2.081 133 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 133 R C 2.323 178.713 176.300 0.151 0.000 1.131 133 R CA 1.893 58.064 56.100 0.119 0.000 0.960 133 R CB -0.548 29.822 30.300 0.117 0.000 0.856 133 R HN 0.460 nan 8.270 nan 0.000 0.436 134 F N 0.199 120.181 119.950 0.054 0.000 2.069 134 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 134 F C 1.475 177.306 175.800 0.051 0.000 1.113 134 F CA 1.560 59.553 58.000 -0.012 0.000 1.214 134 F CB -0.620 38.280 39.000 -0.167 0.000 0.978 134 F HN 0.010 nan 8.300 nan 0.000 0.474 135 Y N 0.436 120.725 120.300 -0.018 0.000 2.293 135 Y HA -0.157 4.393 4.550 0.000 0.000 0.291 135 Y C 2.603 178.615 175.900 0.186 0.000 1.137 135 Y CA 1.424 59.523 58.100 -0.002 0.000 1.202 135 Y CB -0.892 37.555 38.460 -0.022 0.000 0.990 135 Y HN 0.136 nan 8.280 nan 0.000 0.537 136 Q N -0.068 119.815 119.800 0.139 0.000 2.226 136 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 136 Q C 1.186 177.286 176.000 0.166 0.000 0.975 136 Q CA 1.030 56.908 55.803 0.125 0.000 0.866 136 Q CB -0.231 28.499 28.738 -0.013 0.000 0.915 136 Q HN 0.526 nan 8.270 nan 0.000 0.440 137 N N -0.855 117.907 118.700 0.102 0.000 2.373 137 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 137 N C -0.076 175.448 175.510 0.024 0.000 1.082 137 N CA -0.068 53.011 53.050 0.048 0.000 0.885 137 N CB 0.062 38.570 38.487 0.036 0.000 0.977 137 N HN 0.217 nan 8.380 nan 0.000 0.462 138 W N 3.198 124.398 121.300 -0.168 0.000 2.251 138 W HA 0.127 4.787 4.660 -0.000 0.000 0.327 138 W C -0.469 175.945 176.519 -0.175 0.000 1.361 138 W CA 0.037 57.240 57.345 -0.236 0.000 1.234 138 W CB 0.580 29.837 29.460 -0.339 0.000 1.212 138 W HN -0.121 nan 8.180 nan 0.000 0.557 139 Q N 7.325 126.518 119.800 -1.013 0.000 2.331 139 Q HA 0.331 4.671 4.340 -0.000 0.000 0.267 139 Q C -2.143 172.938 176.000 -1.530 0.000 1.006 139 Q CA -2.154 53.005 55.803 -1.072 0.000 0.818 139 Q CB 1.335 29.744 28.738 -0.549 0.000 1.276 139 Q HN 0.352 nan 8.270 nan 0.000 0.450 140 P HA 0.054 nan 4.420 nan 0.000 0.268 140 P C -0.066 176.830 177.300 -0.674 0.000 1.205 140 P CA 0.176 62.622 63.100 -1.090 0.000 0.771 140 P CB 0.784 32.029 31.700 -0.759 0.000 0.858 141 A N 2.547 124.968 122.820 -0.664 0.000 2.072 141 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 141 A C 0.110 176.955 177.584 -1.230 0.000 1.156 141 A CA 0.838 52.234 52.037 -1.069 0.000 0.701 141 A CB -0.175 17.807 19.000 -1.697 0.000 0.816 141 A HN 0.536 nan 8.150 nan 0.000 0.458 142 W N -2.981 118.273 121.300 -0.078 0.000 3.042 142 W HA 0.629 5.289 4.660 -0.000 0.000 0.342 142 W C -0.036 176.427 176.519 -0.093 0.000 1.240 142 W CA -1.224 56.077 57.345 -0.072 0.000 1.166 142 W CB 0.890 30.322 29.460 -0.048 0.000 1.469 142 W HN 0.116 nan 8.180 nan 0.000 0.579 143 A N 2.030 124.940 122.820 0.150 0.000 2.366 143 A HA 0.583 4.903 4.320 -0.000 0.000 0.249 143 A C -2.284 175.307 177.584 0.012 0.000 1.084 143 A CA -0.841 51.221 52.037 0.041 0.000 0.794 143 A CB -0.706 18.317 19.000 0.037 0.000 1.034 143 A HN 0.142 nan 8.150 nan 0.000 0.491 144 P HA 0.287 nan 4.420 nan 0.000 0.268 144 P C 0.791 177.931 177.300 -0.266 0.000 1.205 144 P CA 1.698 64.618 63.100 -0.300 0.000 0.771 144 P CB 0.557 32.038 31.700 -0.364 0.000 0.858 145 G N 1.796 110.365 108.800 -0.384 0.000 2.198 145 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 145 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 145 G C 0.670 175.517 174.900 -0.087 0.000 1.025 145 G CA 0.761 45.821 45.100 -0.068 0.000 0.769 145 G HN 0.671 nan 8.290 nan 0.000 0.507 146 T N -5.211 109.249 114.554 -0.157 0.000 2.989 146 T HA 0.438 4.788 4.350 -0.000 0.000 0.250 146 T C 0.533 175.091 174.700 -0.237 0.000 0.981 146 T CA 0.778 62.809 62.100 -0.115 0.000 0.980 146 T CB 0.665 69.512 68.868 -0.036 0.000 1.133 146 T HN 0.280 nan 8.240 nan 0.000 0.489 147 Q N 0.970 120.587 119.800 -0.305 0.000 2.331 147 Q HA 0.470 4.810 4.340 -0.000 0.000 0.272 147 Q C -1.390 174.417 176.000 -0.320 0.000 1.062 147 Q CA -0.496 55.048 55.803 -0.432 0.000 0.806 147 Q CB 3.148 31.346 28.738 -0.899 0.000 1.312 147 Q HN 0.390 nan 8.270 nan 0.000 0.431 148 R N 2.289 122.627 120.500 -0.269 0.000 2.229 148 R HA 0.519 4.859 4.340 -0.000 0.000 0.328 148 R C -1.174 175.104 176.300 -0.037 0.000 1.009 148 R CA -0.537 55.492 56.100 -0.119 0.000 0.864 148 R CB 0.435 30.697 30.300 -0.063 0.000 1.085 148 R HN 0.458 nan 8.270 nan 0.000 0.453 149 L N 6.097 127.371 121.223 0.086 0.000 2.415 149 L HA 0.264 4.604 4.340 -0.000 0.000 0.268 149 L C -1.370 175.555 176.870 0.091 0.000 0.984 149 L CA -0.725 54.189 54.840 0.123 0.000 0.853 149 L CB 1.000 43.221 42.059 0.269 0.000 1.215 149 L HN 0.614 nan 8.230 nan 0.000 0.419 150 Y N 4.812 124.993 120.300 -0.197 0.000 2.810 150 Y HA 0.368 4.918 4.550 -0.000 0.000 0.332 150 Y C 0.043 175.770 175.900 -0.289 0.000 1.243 150 Y CA 0.972 58.718 58.100 -0.590 0.000 1.537 150 Y CB 0.465 38.640 38.460 -0.474 0.000 1.265 150 Y HN 0.829 nan 8.280 nan 0.000 0.572 151 A N 5.506 127.897 122.820 -0.716 0.000 2.513 151 A HA 0.288 4.608 4.320 -0.000 0.000 0.296 151 A C -0.149 177.334 177.584 -0.167 0.000 1.052 151 A CA -0.902 50.991 52.037 -0.240 0.000 0.714 151 A CB 0.847 19.866 19.000 0.031 0.000 1.279 151 A HN 0.777 nan 8.150 nan 0.000 0.397 152 N N 1.051 119.700 118.700 -0.086 0.000 2.244 152 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 152 N C 1.962 177.527 175.510 0.091 0.000 1.016 152 N CA 1.919 54.989 53.050 0.033 0.000 0.866 152 N CB -0.064 38.503 38.487 0.133 0.000 0.980 152 N HN 0.831 nan 8.380 nan 0.000 0.430 153 S N -1.276 114.496 115.700 0.120 0.000 2.515 153 S HA 0.067 4.537 4.470 -0.000 0.000 0.231 153 S C 1.963 176.729 174.600 0.277 0.000 0.987 153 S CA 0.775 59.114 58.200 0.231 0.000 0.936 153 S CB 0.063 63.417 63.200 0.257 0.000 0.766 153 S HN 0.179 nan 8.310 nan 0.000 0.528 154 S N 1.230 117.041 115.700 0.186 0.000 2.357 154 S HA 0.263 4.733 4.470 -0.000 0.000 0.209 154 S C 1.616 176.294 174.600 0.131 0.000 1.023 154 S CA 0.387 58.686 58.200 0.164 0.000 0.933 154 S CB -0.574 62.741 63.200 0.191 0.000 0.897 154 S HN 0.544 nan 8.310 nan 0.000 0.529 155 I N 1.372 122.014 120.570 0.122 0.000 2.493 155 I HA -0.014 4.156 4.170 -0.000 0.000 0.254 155 I C 2.110 178.293 176.117 0.110 0.000 1.160 155 I CA 1.219 62.576 61.300 0.095 0.000 1.445 155 I CB -0.601 37.434 38.000 0.058 0.000 1.086 155 I HN 0.491 nan 8.210 nan 0.000 0.433 156 G N 0.998 109.831 108.800 0.055 0.000 2.418 156 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 156 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 156 G C 1.535 176.380 174.900 -0.092 0.000 1.158 156 G CA 0.906 45.973 45.100 -0.056 0.000 0.771 156 G HN 0.390 nan 8.290 nan 0.000 0.545 157 L N -0.283 120.936 121.223 -0.007 0.000 2.093 157 L HA 0.156 4.496 4.340 -0.000 0.000 0.208 157 L C 2.421 179.230 176.870 -0.102 0.000 1.085 157 L CA 1.432 56.205 54.840 -0.112 0.000 0.755 157 L CB -0.726 41.223 42.059 -0.185 0.000 0.904 157 L HN 0.224 nan 8.230 nan 0.000 0.435 158 F N 0.449 120.326 119.950 -0.121 0.000 2.091 158 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 158 F C 2.154 177.884 175.800 -0.118 0.000 1.103 158 F CA 1.807 59.738 58.000 -0.115 0.000 1.228 158 F CB -1.028 37.913 39.000 -0.097 0.000 0.984 158 F HN 0.119 nan 8.300 nan 0.000 0.477 159 G N -0.361 108.290 108.800 -0.248 0.000 2.418 159 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 159 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 159 G C 1.835 176.577 174.900 -0.263 0.000 1.158 159 G CA 0.906 45.845 45.100 -0.270 0.000 0.771 159 G HN 0.653 nan 8.290 nan 0.000 0.545 160 A N 0.485 123.095 122.820 -0.350 0.000 1.902 160 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 160 A C 2.414 179.818 177.584 -0.300 0.000 1.181 160 A CA 1.276 53.125 52.037 -0.312 0.000 0.623 160 A CB -0.338 18.437 19.000 -0.374 0.000 0.818 160 A HN 0.361 nan 8.150 nan 0.000 0.443 161 L N -1.128 119.887 121.223 -0.346 0.000 2.179 161 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 161 L C 2.973 179.619 176.870 -0.374 0.000 1.096 161 L CA 0.739 55.393 54.840 -0.310 0.000 0.779 161 L CB -0.561 41.361 42.059 -0.228 0.000 0.922 161 L HN 0.410 nan 8.230 nan 0.000 0.443 162 A N 0.438 122.939 122.820 -0.531 0.000 2.019 162 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 162 A C 2.129 179.514 177.584 -0.331 0.000 1.164 162 A CA 1.848 53.541 52.037 -0.573 0.000 0.644 162 A CB -0.657 17.840 19.000 -0.838 0.000 0.805 162 A HN 0.351 nan 8.150 nan 0.000 0.449 163 V N -3.665 116.112 119.914 -0.228 0.000 3.649 163 V HA 0.118 4.238 4.120 -0.000 0.000 0.275 163 V C 1.620 177.646 176.094 -0.113 0.000 1.281 163 V CA 1.070 63.278 62.300 -0.153 0.000 1.143 163 V CB -0.421 31.335 31.823 -0.112 0.000 0.892 163 V HN 0.401 nan 8.190 nan 0.000 0.441 164 K N 1.202 121.536 120.400 -0.109 0.000 2.026 164 K HA -0.040 4.280 4.320 -0.000 0.000 0.208 164 K C -0.041 176.551 176.600 -0.014 0.000 1.048 164 K CA 1.985 58.238 56.287 -0.057 0.000 0.929 164 K CB -1.334 31.145 32.500 -0.036 0.000 0.713 164 K HN 0.464 nan 8.250 nan 0.000 0.439 165 P HA -0.176 nan 4.420 nan 0.000 0.218 165 P C 1.358 178.655 177.300 -0.005 0.000 1.148 165 P CA 1.548 64.670 63.100 0.037 0.000 0.822 165 P CB -0.007 31.738 31.700 0.075 0.000 0.784 166 S N -1.713 113.966 115.700 -0.035 0.000 2.453 166 S HA 0.055 4.525 4.470 -0.000 0.000 0.231 166 S C 1.907 176.479 174.600 -0.046 0.000 1.005 166 S CA 1.033 59.204 58.200 -0.048 0.000 0.949 166 S CB -1.438 61.716 63.200 -0.076 0.000 0.774 166 S HN 0.299 nan 8.310 nan 0.000 0.510 167 G N 0.698 109.471 108.800 -0.045 0.000 2.212 167 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.266 167 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.266 167 G C 0.017 174.885 174.900 -0.053 0.000 0.978 167 G CA 0.507 45.582 45.100 -0.042 0.000 0.632 167 G HN 0.578 nan 8.290 nan 0.000 0.537 168 L N 1.663 122.845 121.223 -0.069 0.000 2.399 168 L HA 0.571 4.911 4.340 -0.000 0.000 0.266 168 L C 1.503 178.326 176.870 -0.078 0.000 1.114 168 L CA -0.219 54.573 54.840 -0.079 0.000 0.804 168 L CB 1.247 43.242 42.059 -0.108 0.000 1.146 168 L HN 0.398 nan 8.230 nan 0.000 0.451 169 S N 0.362 116.020 115.700 -0.069 0.000 2.600 169 S HA 0.050 4.520 4.470 -0.000 0.000 0.265 169 S C 0.822 175.391 174.600 -0.053 0.000 1.325 169 S CA -0.403 57.771 58.200 -0.043 0.000 1.002 169 S CB 0.498 63.679 63.200 -0.031 0.000 0.921 169 S HN 0.546 nan 8.310 nan 0.000 0.554 170 F N 1.216 121.074 119.950 -0.154 0.000 2.126 170 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 170 F C 2.495 178.179 175.800 -0.192 0.000 1.096 170 F CA 2.235 60.127 58.000 -0.181 0.000 1.255 170 F CB -0.418 38.473 39.000 -0.181 0.000 0.997 170 F HN 0.942 nan 8.300 nan 0.000 0.479 171 E N -0.578 119.585 120.200 -0.061 0.000 2.077 171 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 171 E C 2.181 178.625 176.600 -0.259 0.000 0.989 171 E CA 1.280 57.586 56.400 -0.156 0.000 0.800 171 E CB -0.145 29.550 29.700 -0.009 0.000 0.746 171 E HN 0.419 nan 8.360 nan 0.000 0.452 172 Q N -0.056 119.633 119.800 -0.185 0.000 2.119 172 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 172 Q C 2.135 177.977 176.000 -0.264 0.000 0.972 172 Q CA 1.326 57.019 55.803 -0.183 0.000 0.847 172 Q CB -0.284 28.384 28.738 -0.117 0.000 0.903 172 Q HN 0.389 nan 8.270 nan 0.000 0.433 173 A N 0.677 123.308 122.820 -0.314 0.000 1.877 173 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 173 A C 2.137 179.429 177.584 -0.487 0.000 1.186 173 A CA 1.817 53.642 52.037 -0.353 0.000 0.620 173 A CB -0.471 18.314 19.000 -0.357 0.000 0.822 173 A HN 0.331 nan 8.150 nan 0.000 0.443 174 M N -0.279 118.889 119.600 -0.720 0.000 2.086 174 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 174 M C 2.242 177.937 176.300 -1.007 0.000 1.067 174 M CA 2.378 57.112 55.300 -0.945 0.000 1.116 174 M CB -0.564 31.308 32.600 -1.214 0.000 1.348 174 M HN 0.597 nan 8.290 nan 0.000 0.407 175 Q N -1.043 118.294 119.800 -0.771 0.000 2.050 175 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 175 Q C 1.700 177.517 176.000 -0.304 0.000 0.980 175 Q CA 2.546 58.047 55.803 -0.502 0.000 0.840 175 Q CB -0.266 28.293 28.738 -0.298 0.000 0.898 175 Q HN 0.718 nan 8.270 nan 0.000 0.424 176 T N -2.412 111.985 114.554 -0.263 0.000 2.985 176 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 176 T C 1.631 176.240 174.700 -0.151 0.000 1.076 176 T CA 0.697 62.694 62.100 -0.172 0.000 1.135 176 T CB -0.028 68.756 68.868 -0.141 0.000 0.890 176 T HN 0.272 nan 8.240 nan 0.000 0.480 177 R N -0.110 120.271 120.500 -0.198 0.000 2.282 177 R HA 0.392 4.732 4.340 -0.000 0.000 0.195 177 R C 1.525 177.766 176.300 -0.098 0.000 0.909 177 R CA 0.228 56.243 56.100 -0.140 0.000 1.039 177 R CB 0.430 30.637 30.300 -0.156 0.000 1.015 177 R HN 0.295 nan 8.270 nan 0.000 0.513 178 V N -0.945 118.879 119.914 -0.151 0.000 3.161 178 V HA 0.026 4.146 4.120 -0.000 0.000 0.221 178 V C 1.353 177.521 176.094 0.123 0.000 1.296 178 V CA 0.450 62.747 62.300 -0.005 0.000 1.306 178 V CB -0.272 31.532 31.823 -0.033 0.000 1.171 178 V HN -0.030 nan 8.190 nan 0.000 0.513 179 F N 1.531 121.411 119.950 -0.116 0.000 2.075 179 F HA -0.141 4.386 4.527 -0.000 0.000 0.297 179 F C 2.601 178.319 175.800 -0.135 0.000 1.113 179 F CA 1.472 59.372 58.000 -0.166 0.000 1.218 179 F CB -1.247 37.545 39.000 -0.346 0.000 0.984 179 F HN 0.196 nan 8.300 nan 0.000 0.472 180 Q N -0.243 119.583 119.800 0.044 0.000 2.046 180 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 180 Q C -0.324 175.678 176.000 0.003 0.000 0.975 180 Q CA 1.659 57.452 55.803 -0.017 0.000 0.836 180 Q CB -1.466 27.237 28.738 -0.058 0.000 0.896 180 Q HN 0.276 nan 8.270 nan 0.000 0.428 181 P HA -0.142 nan 4.420 nan 0.000 0.218 181 P C 0.644 177.972 177.300 0.047 0.000 1.148 181 P CA 1.190 64.303 63.100 0.022 0.000 0.822 181 P CB 0.059 31.772 31.700 0.022 0.000 0.784 182 L N -1.381 119.896 121.223 0.090 0.000 2.592 182 L HA 0.155 4.495 4.340 -0.000 0.000 0.227 182 L C 0.369 177.289 176.870 0.083 0.000 1.127 182 L CA 0.084 54.993 54.840 0.115 0.000 0.884 182 L CB -0.659 41.535 42.059 0.226 0.000 1.065 182 L HN -0.049 nan 8.230 nan 0.000 0.457 183 K N 0.868 121.293 120.400 0.042 0.000 3.096 183 K HA -0.166 4.154 4.320 -0.000 0.000 0.266 183 K C -0.305 176.291 176.600 -0.006 0.000 1.043 183 K CA 0.387 56.678 56.287 0.006 0.000 0.758 183 K CB -1.768 30.740 32.500 0.014 0.000 1.260 183 K HN 0.331 nan 8.250 nan 0.000 0.481 184 L N 1.338 122.544 121.223 -0.029 0.000 2.389 184 L HA 0.137 4.477 4.340 -0.000 0.000 0.265 184 L C 0.913 177.625 176.870 -0.263 0.000 1.167 184 L CA -0.519 54.253 54.840 -0.114 0.000 1.045 184 L CB 0.165 42.123 42.059 -0.168 0.000 1.351 184 L HN 0.142 nan 8.230 nan 0.000 0.419 185 N N 0.361 118.929 118.700 -0.221 0.000 2.461 185 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 185 N C 0.544 175.647 175.510 -0.678 0.000 1.134 185 N CA 0.608 53.417 53.050 -0.401 0.000 0.878 185 N CB 0.164 38.450 38.487 -0.336 0.000 0.972 185 N HN 0.487 nan 8.380 nan 0.000 0.456 186 H N -1.122 117.849 119.070 -0.165 0.000 2.767 186 H HA 0.267 4.823 4.556 -0.000 0.000 0.235 186 H C -0.429 174.788 175.328 -0.184 0.000 1.256 186 H CA -0.101 55.917 56.048 -0.050 0.000 0.957 186 H CB 0.366 30.125 29.762 -0.005 0.000 2.117 186 H HN -0.139 nan 8.280 nan 0.000 0.602 187 T N 0.879 115.115 114.554 -0.530 0.000 2.812 187 T HA 0.364 4.714 4.350 -0.000 0.000 0.282 187 T C -0.814 173.181 174.700 -1.175 0.000 0.990 187 T CA -0.441 61.161 62.100 -0.829 0.000 0.960 187 T CB 1.479 69.624 68.868 -1.204 0.000 0.948 187 T HN 0.231 nan 8.240 nan 0.000 0.438 188 W N 1.717 122.687 121.300 -0.549 0.000 3.217 188 W HA 0.548 5.209 4.660 0.000 0.000 0.323 188 W C 0.537 176.925 176.519 -0.219 0.000 1.216 188 W CA -0.788 56.381 57.345 -0.293 0.000 1.194 188 W CB 1.111 30.413 29.460 -0.265 0.000 1.397 188 W HN 0.493 nan 8.180 nan 0.000 0.537 189 I N 1.445 122.131 120.570 0.193 0.000 2.494 189 I HA -0.025 4.145 4.170 -0.000 0.000 0.250 189 I C 0.334 176.482 176.117 0.053 0.000 1.112 189 I CA 0.827 62.180 61.300 0.089 0.000 1.438 189 I CB 0.004 38.070 38.000 0.111 0.000 1.111 189 I HN 0.260 nan 8.210 nan 0.000 0.431 190 N N 1.249 120.022 118.700 0.123 0.000 2.479 190 N HA 0.248 4.988 4.740 -0.000 0.000 0.261 190 N C -0.870 174.567 175.510 -0.120 0.000 0.979 190 N CA -0.218 52.830 53.050 -0.003 0.000 0.930 190 N CB 2.542 41.034 38.487 0.008 0.000 1.172 190 N HN -0.206 nan 8.380 nan 0.000 0.499 191 V N 4.887 124.628 119.914 -0.289 0.000 2.479 191 V HA 0.132 4.252 4.120 -0.000 0.000 0.281 191 V C -1.451 174.313 176.094 -0.550 0.000 1.031 191 V CA -0.838 61.145 62.300 -0.529 0.000 1.038 191 V CB 0.351 31.808 31.823 -0.610 0.000 0.981 191 V HN 0.512 nan 8.190 nan 0.000 0.478 192 P HA 0.280 nan 4.420 nan 0.000 0.276 192 P C -2.359 174.713 177.300 -0.379 0.000 1.252 192 P CA -1.900 60.828 63.100 -0.620 0.000 0.802 192 P CB 0.688 31.861 31.700 -0.877 0.000 1.035 193 P HA -0.204 nan 4.420 nan 0.000 0.216 193 P C 1.492 178.713 177.300 -0.131 0.000 1.154 193 P CA 2.344 65.357 63.100 -0.145 0.000 0.865 193 P CB -0.479 31.159 31.700 -0.104 0.000 0.789 194 A N -0.393 122.335 122.820 -0.154 0.000 2.070 194 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 194 A C 1.950 179.480 177.584 -0.090 0.000 1.159 194 A CA 1.483 53.459 52.037 -0.101 0.000 0.656 194 A CB -0.741 18.208 19.000 -0.086 0.000 0.800 194 A HN 0.127 nan 8.150 nan 0.000 0.453 195 E N -0.801 119.303 120.200 -0.161 0.000 2.481 195 E HA -0.012 4.338 4.350 -0.000 0.000 0.198 195 E C 1.506 178.056 176.600 -0.083 0.000 1.027 195 E CA 0.028 56.355 56.400 -0.122 0.000 0.900 195 E CB 0.018 29.589 29.700 -0.214 0.000 0.993 195 E HN 0.784 nan 8.360 nan 0.000 0.482 196 E N 2.049 122.206 120.200 -0.072 0.000 2.118 196 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 196 E C 1.806 178.427 176.600 0.036 0.000 0.992 196 E CA 1.312 57.714 56.400 0.002 0.000 0.804 196 E CB 0.100 29.802 29.700 0.003 0.000 0.741 196 E HN 0.233 nan 8.360 nan 0.000 0.458 197 K N -0.315 120.100 120.400 0.025 0.000 2.360 197 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 197 K C 1.025 177.654 176.600 0.047 0.000 1.046 197 K CA 1.728 58.040 56.287 0.043 0.000 0.945 197 K CB -0.247 32.273 32.500 0.032 0.000 0.750 197 K HN 0.096 nan 8.250 nan 0.000 0.464 198 N N -0.507 118.216 118.700 0.037 0.000 2.236 198 N HA 0.007 4.747 4.740 -0.000 0.000 0.196 198 N C -0.837 174.710 175.510 0.060 0.000 1.114 198 N CA -0.403 52.668 53.050 0.035 0.000 0.859 198 N CB 0.306 38.800 38.487 0.013 0.000 0.982 198 N HN 0.198 nan 8.380 nan 0.000 0.493 199 Y N 2.301 122.526 120.300 -0.124 0.000 2.486 199 Y HA 0.370 4.920 4.550 0.000 0.000 0.348 199 Y C 0.291 176.088 175.900 -0.172 0.000 1.000 199 Y CA -1.399 56.583 58.100 -0.196 0.000 1.253 199 Y CB 0.273 38.550 38.460 -0.305 0.000 1.140 199 Y HN -0.012 nan 8.280 nan 0.000 0.526 200 A N 6.097 128.964 122.820 0.078 0.000 2.466 200 A HA 0.017 4.337 4.320 -0.000 0.000 0.238 200 A C -1.093 176.487 177.584 -0.007 0.000 1.074 200 A CA -0.189 51.856 52.037 0.014 0.000 0.774 200 A CB 0.282 19.221 19.000 -0.102 0.000 1.015 200 A HN 0.930 nan 8.150 nan 0.000 0.498 201 W N 0.379 121.690 121.300 0.019 0.000 2.313 201 W HA 0.496 5.156 4.660 0.000 0.000 0.328 201 W C 0.863 177.090 176.519 -0.486 0.000 1.197 201 W CA 0.523 57.694 57.345 -0.291 0.000 1.235 201 W CB 1.222 30.362 29.460 -0.533 0.000 1.158 201 W HN 0.935 nan 8.180 nan 0.000 0.578 202 G N 1.096 109.682 108.800 -0.356 0.000 2.477 202 G HA2 0.515 4.475 3.960 -0.000 0.000 0.304 202 G HA3 0.515 4.475 3.960 -0.000 0.000 0.304 202 G C -2.169 172.302 174.900 -0.715 0.000 1.175 202 G CA -0.491 44.112 45.100 -0.829 0.000 0.907 202 G HN 0.423 nan 8.290 nan 0.000 0.509 203 Y N -0.441 119.763 120.300 -0.158 0.000 2.338 203 Y HA 0.525 5.074 4.550 -0.000 0.000 0.333 203 Y C 0.401 176.290 175.900 -0.019 0.000 0.968 203 Y CA -0.773 57.294 58.100 -0.054 0.000 1.123 203 Y CB 2.277 40.712 38.460 -0.041 0.000 1.165 203 Y HN 0.492 nan 8.280 nan 0.000 0.452 204 R N 2.946 123.495 120.500 0.082 0.000 2.451 204 R HA 0.298 4.638 4.340 -0.000 0.000 0.307 204 R C -0.721 175.620 176.300 0.068 0.000 0.965 204 R CA -0.354 55.790 56.100 0.073 0.000 0.865 204 R CB 0.710 31.040 30.300 0.050 0.000 1.174 204 R HN 0.725 nan 8.270 nan 0.000 0.455 205 E N 2.763 123.004 120.200 0.069 0.000 2.389 205 E HA -0.222 4.128 4.350 -0.000 0.000 0.243 205 E C 0.566 177.200 176.600 0.056 0.000 1.154 205 E CA 1.367 57.797 56.400 0.050 0.000 0.723 205 E CB -1.544 28.176 29.700 0.033 0.000 1.261 205 E HN 1.182 nan 8.360 nan 0.000 0.390 206 G N -0.595 108.261 108.800 0.092 0.000 2.189 206 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 206 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 206 G C 0.265 175.261 174.900 0.159 0.000 0.975 206 G CA 1.104 46.267 45.100 0.106 0.000 0.644 206 G HN 0.340 nan 8.290 nan 0.000 0.537 207 K N 0.612 121.078 120.400 0.110 0.000 2.159 207 K HA 0.688 5.008 4.320 -0.000 0.000 0.266 207 K C 0.446 176.988 176.600 -0.098 0.000 0.975 207 K CA -0.088 56.211 56.287 0.019 0.000 0.865 207 K CB 1.795 34.278 32.500 -0.029 0.000 1.087 207 K HN 0.435 nan 8.250 nan 0.000 0.446 208 A N 2.403 125.055 122.820 -0.281 0.000 2.454 208 A HA 0.374 4.694 4.320 -0.000 0.000 0.260 208 A C -0.014 177.364 177.584 -0.343 0.000 1.106 208 A CA -0.344 51.317 52.037 -0.628 0.000 0.780 208 A CB -0.255 18.187 19.000 -0.931 0.000 1.044 208 A HN 0.548 nan 8.150 nan 0.000 0.498 209 V N 0.973 120.806 119.914 -0.135 0.000 3.049 209 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 209 V C -0.767 175.420 176.094 0.156 0.000 1.148 209 V CA -0.850 61.489 62.300 0.065 0.000 0.990 209 V CB 1.298 33.145 31.823 0.040 0.000 1.039 209 V HN 0.962 nan 8.190 nan 0.000 0.430 210 H N 0.452 119.646 119.070 0.207 0.000 2.679 210 H HA 0.689 5.245 4.556 0.000 0.000 0.367 210 H C -0.511 174.901 175.328 0.140 0.000 1.162 210 H CA -0.961 55.140 56.048 0.089 0.000 1.181 210 H CB 2.296 31.973 29.762 -0.143 0.000 1.693 210 H HN 0.808 nan 8.280 nan 0.000 0.538 211 V N 2.366 122.462 119.914 0.303 0.000 2.788 211 V HA -0.016 4.104 4.120 -0.000 0.000 0.307 211 V C -0.190 176.020 176.094 0.193 0.000 1.069 211 V CA 0.468 62.903 62.300 0.225 0.000 1.173 211 V CB 0.724 32.681 31.823 0.223 0.000 0.925 211 V HN 0.752 nan 8.190 nan 0.000 0.492 212 S N 6.858 122.656 115.700 0.164 0.000 2.646 212 S HA 0.525 4.995 4.470 -0.000 0.000 0.276 212 S C -2.341 172.344 174.600 0.142 0.000 1.222 212 S CA -0.744 57.537 58.200 0.135 0.000 1.014 212 S CB 1.221 64.483 63.200 0.103 0.000 0.991 212 S HN 0.814 nan 8.310 nan 0.000 0.533 213 P HA 0.423 nan 4.420 nan 0.000 0.268 213 P C -0.248 177.106 177.300 0.088 0.000 1.205 213 P CA 0.052 63.199 63.100 0.078 0.000 0.771 213 P CB 0.404 32.133 31.700 0.048 0.000 0.858 214 G N 0.463 109.309 108.800 0.078 0.000 2.698 214 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 214 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 214 G C -1.364 173.537 174.900 0.002 0.000 1.437 214 G CA -0.557 44.593 45.100 0.082 0.000 0.852 214 G HN 0.542 nan 8.290 nan 0.000 0.499 215 A N 0.439 123.251 122.820 -0.013 0.000 2.511 215 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 215 A C 1.397 178.927 177.584 -0.091 0.000 1.069 215 A CA 0.472 52.477 52.037 -0.052 0.000 0.763 215 A CB -0.378 18.589 19.000 -0.055 0.000 1.001 215 A HN 1.742 nan 8.150 nan 0.000 0.498 216 L N 0.400 121.533 121.223 -0.150 0.000 4.179 216 L HA -0.326 4.014 4.340 -0.000 0.000 0.418 216 L C 1.213 177.842 176.870 -0.403 0.000 1.168 216 L CA 0.673 55.369 54.840 -0.239 0.000 0.972 216 L CB -1.762 40.218 42.059 -0.132 0.000 2.005 216 L HN 1.010 nan 8.230 nan 0.000 0.935 217 D N 0.230 120.351 120.400 -0.463 0.000 2.097 217 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 217 D C 1.972 177.836 176.300 -0.726 0.000 0.989 217 D CA 1.467 54.907 54.000 -0.932 0.000 0.827 217 D CB -0.139 40.335 40.800 -0.542 0.000 0.966 217 D HN 0.438 nan 8.370 nan 0.000 0.456 218 A N 0.829 123.399 122.820 -0.418 0.000 1.908 218 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 218 A C 2.130 179.510 177.584 -0.340 0.000 1.181 218 A CA 2.033 53.913 52.037 -0.262 0.000 0.627 218 A CB -0.722 18.209 19.000 -0.116 0.000 0.818 218 A HN 0.234 nan 8.150 nan 0.000 0.445 219 E N -0.417 119.376 120.200 -0.679 0.000 2.152 219 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 219 E C 1.950 178.382 176.600 -0.280 0.000 0.983 219 E CA 1.249 57.189 56.400 -0.767 0.000 0.818 219 E CB -0.225 28.937 29.700 -0.897 0.000 0.758 219 E HN 0.600 nan 8.360 nan 0.000 0.467 220 A N -0.441 122.213 122.820 -0.277 0.000 2.085 220 A HA 0.111 4.431 4.320 -0.000 0.000 0.208 220 A C 0.635 178.281 177.584 0.103 0.000 1.191 220 A CA 0.468 52.471 52.037 -0.057 0.000 0.799 220 A CB 0.034 19.051 19.000 0.028 0.000 0.877 220 A HN 0.408 nan 8.150 nan 0.000 0.473 221 Y N -4.460 115.854 120.300 0.023 0.000 3.070 221 Y HA 0.457 5.007 4.550 -0.000 0.000 0.254 221 Y C 0.704 176.619 175.900 0.026 0.000 1.070 221 Y CA -0.535 57.594 58.100 0.048 0.000 1.229 221 Y CB -0.430 38.066 38.460 0.060 0.000 1.264 221 Y HN -0.015 nan 8.280 nan 0.000 0.639 222 G N 0.730 109.492 108.800 -0.063 0.000 3.337 222 G HA2 0.413 4.373 3.960 -0.000 0.000 0.246 222 G HA3 0.413 4.373 3.960 -0.000 0.000 0.246 222 G C -0.375 174.502 174.900 -0.038 0.000 1.131 222 G CA -0.012 45.058 45.100 -0.050 0.000 0.773 222 G HN 0.116 nan 8.290 nan 0.000 0.544 223 V N 0.492 120.376 119.914 -0.050 0.000 2.567 223 V HA 0.448 4.568 4.120 -0.000 0.000 0.289 223 V C -0.288 175.692 176.094 -0.189 0.000 1.049 223 V CA -0.507 61.697 62.300 -0.160 0.000 0.969 223 V CB 1.551 33.172 31.823 -0.337 0.000 0.995 223 V HN 0.139 nan 8.190 nan 0.000 0.471 224 K N 2.314 122.561 120.400 -0.255 0.000 2.270 224 K HA 0.797 5.117 4.320 -0.000 0.000 0.255 224 K C -0.574 175.872 176.600 -0.256 0.000 0.936 224 K CA -0.186 55.941 56.287 -0.267 0.000 0.809 224 K CB 2.011 34.249 32.500 -0.437 0.000 1.131 224 K HN 0.714 nan 8.250 nan 0.000 0.427 225 S N 0.211 115.832 115.700 -0.131 0.000 2.615 225 S HA 0.590 5.060 4.470 -0.000 0.000 0.269 225 S C -1.153 173.500 174.600 0.089 0.000 1.161 225 S CA -0.721 57.419 58.200 -0.100 0.000 0.817 225 S CB 0.952 64.048 63.200 -0.174 0.000 1.131 225 S HN 0.677 nan 8.310 nan 0.000 0.467 226 T N 0.270 114.880 114.554 0.095 0.000 2.912 226 T HA 0.522 4.872 4.350 -0.000 0.000 0.280 226 T C 1.255 176.060 174.700 0.175 0.000 0.989 226 T CA -0.517 61.686 62.100 0.173 0.000 0.995 226 T CB 0.753 69.668 68.868 0.079 0.000 1.077 226 T HN 0.456 nan 8.240 nan 0.000 0.531 227 I N 0.612 121.297 120.570 0.193 0.000 2.394 227 I HA -0.021 4.149 4.170 -0.000 0.000 0.251 227 I C 2.331 178.580 176.117 0.220 0.000 1.136 227 I CA 1.410 62.834 61.300 0.208 0.000 1.425 227 I CB -0.577 37.568 38.000 0.242 0.000 1.079 227 I HN 0.821 nan 8.210 nan 0.000 0.425 228 E N 0.036 120.259 120.200 0.039 0.000 2.047 228 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 228 E C 1.701 178.391 176.600 0.150 0.000 0.987 228 E CA 1.439 57.853 56.400 0.023 0.000 0.799 228 E CB -0.144 29.463 29.700 -0.155 0.000 0.752 228 E HN 0.467 nan 8.360 nan 0.000 0.449 229 D N 0.162 120.630 120.400 0.114 0.000 2.144 229 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 229 D C 1.832 178.254 176.300 0.204 0.000 0.984 229 D CA 0.936 55.007 54.000 0.118 0.000 0.834 229 D CB -0.031 40.782 40.800 0.022 0.000 0.955 229 D HN 0.083 nan 8.370 nan 0.000 0.465 230 M N 0.316 120.051 119.600 0.225 0.000 2.229 230 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 230 M C 2.200 178.687 176.300 0.312 0.000 1.063 230 M CA 0.629 56.119 55.300 0.317 0.000 1.114 230 M CB -1.019 31.748 32.600 0.279 0.000 1.387 230 M HN -0.026 nan 8.290 nan 0.000 0.420 231 A N 0.249 123.231 122.820 0.270 0.000 1.933 231 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 231 A C 2.347 180.012 177.584 0.136 0.000 1.175 231 A CA 1.352 53.506 52.037 0.195 0.000 0.628 231 A CB -0.527 18.617 19.000 0.241 0.000 0.814 231 A HN 0.454 nan 8.150 nan 0.000 0.444 232 R N -1.670 118.937 120.500 0.177 0.000 2.092 232 R HA -0.146 4.194 4.340 -0.000 0.000 0.231 232 R C 2.169 178.577 176.300 0.181 0.000 1.119 232 R CA 1.288 57.471 56.100 0.139 0.000 0.970 232 R CB -0.381 30.009 30.300 0.149 0.000 0.864 232 R HN 0.870 nan 8.270 nan 0.000 0.440 233 W N 1.149 122.475 121.300 0.043 0.000 2.355 233 W HA -0.199 4.461 4.660 0.000 0.000 0.309 233 W C 1.535 177.994 176.519 -0.099 0.000 1.206 233 W CA 1.169 58.525 57.345 0.018 0.000 1.284 233 W CB -0.004 29.517 29.460 0.102 0.000 1.145 233 W HN -0.127 nan 8.180 nan 0.000 0.502 234 V N 1.384 121.247 119.914 -0.085 0.000 2.343 234 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 234 V C 2.387 178.154 176.094 -0.544 0.000 1.051 234 V CA 2.288 64.327 62.300 -0.435 0.000 1.036 234 V CB -1.059 30.640 31.823 -0.208 0.000 0.654 234 V HN 0.253 nan 8.190 nan 0.000 0.451 235 Q N -0.206 119.422 119.800 -0.286 0.000 2.096 235 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 235 Q C 2.478 178.292 176.000 -0.309 0.000 0.982 235 Q CA 2.000 57.646 55.803 -0.263 0.000 0.850 235 Q CB -0.280 28.376 28.738 -0.136 0.000 0.901 235 Q HN 0.611 nan 8.270 nan 0.000 0.422 236 S N 0.836 116.365 115.700 -0.285 0.000 2.383 236 S HA -0.078 4.392 4.470 -0.000 0.000 0.227 236 S C 1.512 175.851 174.600 -0.436 0.000 1.026 236 S CA 0.900 58.936 58.200 -0.274 0.000 0.981 236 S CB -0.154 62.950 63.200 -0.160 0.000 0.818 236 S HN 0.377 nan 8.310 nan 0.000 0.472 237 N N 1.036 119.302 118.700 -0.722 0.000 2.354 237 N HA 0.139 4.879 4.740 -0.000 0.000 0.179 237 N C 1.558 176.579 175.510 -0.814 0.000 1.021 237 N CA 0.474 53.016 53.050 -0.847 0.000 0.887 237 N CB -0.093 37.666 38.487 -1.213 0.000 0.974 237 N HN 0.331 nan 8.380 nan 0.000 0.437 238 L N 0.573 121.290 121.223 -0.842 0.000 2.109 238 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 238 L C 0.569 177.264 176.870 -0.293 0.000 1.086 238 L CA 1.085 55.606 54.840 -0.532 0.000 0.760 238 L CB 0.147 41.934 42.059 -0.454 0.000 0.910 238 L HN -0.079 nan 8.230 nan 0.000 0.437 239 K N -0.216 120.019 120.400 -0.275 0.000 2.842 239 K HA 0.208 4.528 4.320 -0.000 0.000 0.176 239 K C -1.940 174.564 176.600 -0.159 0.000 1.080 239 K CA -1.192 54.986 56.287 -0.182 0.000 0.954 239 K CB 1.300 33.709 32.500 -0.152 0.000 1.203 239 K HN -0.085 nan 8.250 nan 0.000 0.611 240 P HA -0.143 nan 4.420 nan 0.000 0.222 240 P C 1.098 178.349 177.300 -0.080 0.000 1.147 240 P CA 0.852 63.881 63.100 -0.119 0.000 0.790 240 P CB 0.283 31.918 31.700 -0.108 0.000 0.780 241 L N -0.364 120.813 121.223 -0.076 0.000 2.362 241 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 241 L C 1.698 178.536 176.870 -0.052 0.000 1.134 241 L CA 1.104 55.909 54.840 -0.057 0.000 0.807 241 L CB -0.827 41.199 42.059 -0.055 0.000 0.927 241 L HN -0.093 nan 8.230 nan 0.000 0.447 242 D N -0.257 120.106 120.400 -0.062 0.000 2.355 242 D HA 0.047 4.687 4.640 -0.000 0.000 0.218 242 D C 0.725 177.000 176.300 -0.041 0.000 1.004 242 D CA 0.468 54.437 54.000 -0.053 0.000 0.880 242 D CB 0.258 41.021 40.800 -0.062 0.000 0.911 242 D HN 0.054 nan 8.370 nan 0.000 0.528 243 I N 1.880 122.425 120.570 -0.041 0.000 2.396 243 I HA 0.021 4.191 4.170 -0.000 0.000 0.289 243 I C 1.320 177.426 176.117 -0.018 0.000 1.056 243 I CA -0.118 61.167 61.300 -0.025 0.000 1.365 243 I CB 0.721 38.707 38.000 -0.023 0.000 1.407 243 I HN -0.139 nan 8.210 nan 0.000 0.509 244 N N 4.184 122.877 118.700 -0.013 0.000 2.331 244 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 244 N C 0.189 175.694 175.510 -0.009 0.000 1.019 244 N CA 0.652 53.695 53.050 -0.012 0.000 0.881 244 N CB 0.165 38.646 38.487 -0.011 0.000 0.972 244 N HN 0.545 nan 8.380 nan 0.000 0.435 245 E N 1.245 121.442 120.200 -0.005 0.000 2.166 245 E HA 0.076 4.426 4.350 -0.000 0.000 0.279 245 E C 0.809 177.407 176.600 -0.004 0.000 1.095 245 E CA 0.046 56.443 56.400 -0.004 0.000 0.888 245 E CB 0.740 30.439 29.700 -0.000 0.000 1.041 245 E HN 0.147 nan 8.360 nan 0.000 0.414 246 K N 1.215 121.612 120.400 -0.006 0.000 2.044 246 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 246 K C 1.937 178.537 176.600 -0.000 0.000 1.049 246 K CA 1.950 58.234 56.287 -0.005 0.000 0.927 246 K CB -0.245 32.252 32.500 -0.006 0.000 0.713 246 K HN 0.590 nan 8.250 nan 0.000 0.443 247 T N -0.049 114.506 114.554 0.001 0.000 2.951 247 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 247 T C 1.840 176.549 174.700 0.014 0.000 1.073 247 T CA 0.668 62.771 62.100 0.006 0.000 1.134 247 T CB -0.143 68.725 68.868 0.000 0.000 0.884 247 T HN 0.047 nan 8.240 nan 0.000 0.479 248 L N 1.132 122.364 121.223 0.014 0.000 2.072 248 L HA 0.137 4.477 4.340 -0.000 0.000 0.205 248 L C 2.789 179.674 176.870 0.026 0.000 1.079 248 L CA 1.752 56.611 54.840 0.031 0.000 0.752 248 L CB -1.030 41.050 42.059 0.036 0.000 0.906 248 L HN 0.379 nan 8.230 nan 0.000 0.436 249 Q N -0.802 119.003 119.800 0.008 0.000 2.061 249 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 249 Q C 2.153 178.153 176.000 -0.001 0.000 0.984 249 Q CA 2.364 58.162 55.803 -0.008 0.000 0.846 249 Q CB -0.163 28.566 28.738 -0.015 0.000 0.902 249 Q HN 0.672 nan 8.270 nan 0.000 0.421 250 Q N -0.600 119.205 119.800 0.008 0.000 2.084 250 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 250 Q C 2.104 178.127 176.000 0.038 0.000 0.978 250 Q CA 1.240 57.053 55.803 0.017 0.000 0.844 250 Q CB -0.328 28.421 28.738 0.018 0.000 0.898 250 Q HN 0.585 nan 8.270 nan 0.000 0.426 251 G N 1.078 109.907 108.800 0.049 0.000 2.440 251 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 251 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 251 G C 1.415 176.375 174.900 0.100 0.000 1.154 251 G CA 0.711 45.860 45.100 0.081 0.000 0.767 251 G HN 0.232 nan 8.290 nan 0.000 0.552 252 I N 0.265 120.875 120.570 0.066 0.000 2.226 252 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 252 I C 3.051 179.196 176.117 0.046 0.000 1.100 252 I CA 1.257 62.584 61.300 0.045 0.000 1.374 252 I CB -0.287 37.684 38.000 -0.048 0.000 1.057 252 I HN 0.264 nan 8.210 nan 0.000 0.413 253 Q N 0.488 120.302 119.800 0.023 0.000 2.084 253 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 253 Q C 2.371 178.403 176.000 0.053 0.000 0.978 253 Q CA 1.370 57.181 55.803 0.013 0.000 0.844 253 Q CB -0.169 28.565 28.738 -0.006 0.000 0.898 253 Q HN 0.519 nan 8.270 nan 0.000 0.426 254 L N 0.100 121.378 121.223 0.090 0.000 2.131 254 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 254 L C 2.345 179.365 176.870 0.250 0.000 1.092 254 L CA 0.774 55.705 54.840 0.151 0.000 0.759 254 L CB -0.449 41.708 42.059 0.162 0.000 0.903 254 L HN 0.211 nan 8.230 nan 0.000 0.435 255 A N -0.956 122.009 122.820 0.242 0.000 2.119 255 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 255 A C 2.010 179.821 177.584 0.379 0.000 1.153 255 A CA 0.935 53.172 52.037 0.334 0.000 0.692 255 A CB -0.179 19.045 19.000 0.375 0.000 0.799 255 A HN 0.473 nan 8.150 nan 0.000 0.458 256 Q N -0.062 119.876 119.800 0.230 0.000 2.247 256 Q HA 0.204 4.544 4.340 -0.000 0.000 0.204 256 Q C -0.161 175.869 176.000 0.050 0.000 0.872 256 Q CA -0.323 55.559 55.803 0.132 0.000 0.951 256 Q CB 0.477 29.213 28.738 -0.002 0.000 1.099 256 Q HN 0.482 nan 8.270 nan 0.000 0.501 257 S N 0.884 116.601 115.700 0.028 0.000 2.585 257 S HA 0.233 4.703 4.470 -0.000 0.000 0.273 257 S C 0.052 174.482 174.600 -0.284 0.000 1.339 257 S CA -0.162 57.906 58.200 -0.221 0.000 1.028 257 S CB 0.585 63.520 63.200 -0.440 0.000 0.906 257 S HN 0.232 nan 8.310 nan 0.000 0.528 258 R N 1.502 121.798 120.500 -0.338 0.000 2.215 258 R HA 0.250 4.590 4.340 -0.000 0.000 0.336 258 R C -0.377 175.759 176.300 -0.274 0.000 0.996 258 R CA -0.154 55.857 56.100 -0.148 0.000 0.847 258 R CB 0.440 30.648 30.300 -0.154 0.000 1.127 258 R HN 0.692 nan 8.270 nan 0.000 0.465 259 Y N 0.672 120.979 120.300 0.012 0.000 2.479 259 Y HA 0.134 4.684 4.550 0.000 0.000 0.283 259 Y C 0.151 175.751 175.900 -0.499 0.000 1.109 259 Y CA 0.354 58.295 58.100 -0.264 0.000 1.239 259 Y CB 0.545 38.852 38.460 -0.256 0.000 1.108 259 Y HN 0.461 nan 8.280 nan 0.000 0.548 260 W N -0.308 121.162 121.300 0.284 0.000 3.107 260 W HA 0.550 5.210 4.660 0.000 0.000 0.331 260 W C -0.927 175.694 176.519 0.171 0.000 1.204 260 W CA -0.985 56.479 57.345 0.199 0.000 1.184 260 W CB 1.151 30.714 29.460 0.171 0.000 1.421 260 W HN -0.459 nan 8.180 nan 0.000 0.544 261 Q N 1.444 121.438 119.800 0.323 0.000 2.353 261 Q HA 0.683 5.023 4.340 -0.000 0.000 0.268 261 Q C -0.900 175.111 176.000 0.018 0.000 1.045 261 Q CA -0.587 55.229 55.803 0.022 0.000 0.811 261 Q CB 2.197 30.862 28.738 -0.121 0.000 1.305 261 Q HN 0.489 nan 8.270 nan 0.000 0.447 262 T N 0.794 115.309 114.554 -0.065 0.000 2.965 262 T HA 0.659 5.009 4.350 -0.000 0.000 0.306 262 T C 0.577 175.224 174.700 -0.090 0.000 0.991 262 T CA 0.197 62.270 62.100 -0.044 0.000 1.001 262 T CB 1.140 70.003 68.868 -0.008 0.000 0.984 262 T HN 1.031 nan 8.240 nan 0.000 0.446 263 G N 4.881 113.629 108.800 -0.086 0.000 2.591 263 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.298 263 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.298 263 G C 0.371 175.190 174.900 -0.136 0.000 1.195 263 G CA 0.694 45.742 45.100 -0.087 0.000 0.989 263 G HN 1.171 nan 8.290 nan 0.000 0.551 264 D N 0.407 120.738 120.400 -0.114 0.000 2.342 264 D HA 0.369 5.009 4.640 -0.000 0.000 0.221 264 D C 1.088 177.305 176.300 -0.137 0.000 1.101 264 D CA 0.900 54.830 54.000 -0.116 0.000 0.837 264 D CB -0.200 40.568 40.800 -0.054 0.000 0.938 264 D HN 0.841 nan 8.370 nan 0.000 0.508 265 M N -1.027 118.468 119.600 -0.175 0.000 2.578 265 M HA 0.641 5.121 4.480 -0.000 0.000 0.321 265 M C -1.593 174.574 176.300 -0.222 0.000 1.182 265 M CA -0.992 54.272 55.300 -0.060 0.000 0.965 265 M CB 1.671 34.334 32.600 0.105 0.000 1.694 265 M HN -0.184 nan 8.290 nan 0.000 0.461 266 Y N -0.011 120.403 120.300 0.189 0.000 2.409 266 Y HA 0.628 5.178 4.550 0.000 0.000 0.343 266 Y C -0.551 175.514 175.900 0.275 0.000 0.973 266 Y CA -0.631 57.594 58.100 0.210 0.000 1.064 266 Y CB 1.950 40.501 38.460 0.151 0.000 1.207 266 Y HN 0.719 nan 8.280 nan 0.000 0.452 267 Q N 1.780 121.866 119.800 0.477 0.000 2.278 267 Q HA 0.594 4.934 4.340 -0.000 0.000 0.257 267 Q C -0.044 176.262 176.000 0.510 0.000 0.928 267 Q CA -0.219 55.869 55.803 0.475 0.000 0.932 267 Q CB 1.264 30.297 28.738 0.493 0.000 1.221 267 Q HN 0.902 nan 8.270 nan 0.000 0.434 268 G N 2.738 111.811 108.800 0.455 0.000 2.736 268 G HA2 0.493 4.453 3.960 -0.000 0.000 0.229 268 G HA3 0.493 4.453 3.960 -0.000 0.000 0.229 268 G C -0.948 174.127 174.900 0.291 0.000 1.380 268 G CA -0.829 44.565 45.100 0.490 0.000 1.040 268 G HN 0.590 nan 8.290 nan 0.000 0.568 269 L N 1.180 122.545 121.223 0.236 0.000 2.270 269 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 269 L C 1.372 178.296 176.870 0.090 0.000 1.059 269 L CA 0.449 55.299 54.840 0.016 0.000 0.839 269 L CB 0.475 42.535 42.059 0.002 0.000 1.221 269 L HN 1.047 nan 8.230 nan 0.000 0.431 270 G N 2.189 111.018 108.800 0.048 0.000 4.039 270 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 270 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 270 G C 0.008 174.962 174.900 0.090 0.000 1.391 270 G CA -0.202 44.920 45.100 0.036 0.000 0.920 270 G HN 0.513 nan 8.290 nan 0.000 0.599 271 W N 2.340 123.776 121.300 0.227 0.000 2.137 271 W HA 0.575 5.235 4.660 -0.000 0.000 0.344 271 W C 0.827 177.497 176.519 0.251 0.000 1.286 271 W CA -0.187 57.286 57.345 0.213 0.000 1.240 271 W CB 0.412 29.967 29.460 0.158 0.000 1.141 271 W HN 0.323 nan 8.180 nan 0.000 0.579 272 E N 1.530 122.081 120.200 0.585 0.000 2.227 272 E HA 0.572 4.922 4.350 -0.000 0.000 0.268 272 E C -0.864 176.031 176.600 0.493 0.000 0.907 272 E CA -1.128 55.580 56.400 0.514 0.000 0.786 272 E CB 1.774 31.769 29.700 0.493 0.000 1.191 272 E HN 0.172 nan 8.360 nan 0.000 0.411 273 M N 1.948 121.795 119.600 0.410 0.000 2.550 273 M HA 0.481 4.961 4.480 -0.000 0.000 0.292 273 M C -1.552 174.978 176.300 0.383 0.000 1.221 273 M CA -0.359 55.124 55.300 0.305 0.000 0.873 273 M CB 1.792 34.503 32.600 0.185 0.000 1.727 273 M HN 0.308 nan 8.290 nan 0.000 0.459 274 L N 0.387 121.801 121.223 0.319 0.000 2.393 274 L HA 0.561 4.901 4.340 -0.000 0.000 0.260 274 L C -0.791 176.247 176.870 0.279 0.000 1.002 274 L CA -0.709 54.327 54.840 0.327 0.000 0.818 274 L CB 1.925 44.099 42.059 0.192 0.000 1.369 274 L HN 0.551 nan 8.230 nan 0.000 0.412 275 D N 0.856 121.408 120.400 0.254 0.000 2.414 275 D HA -0.005 4.635 4.640 -0.000 0.000 0.242 275 D C -0.952 175.478 176.300 0.216 0.000 1.129 275 D CA 0.161 54.272 54.000 0.185 0.000 0.885 275 D CB 1.210 42.090 40.800 0.133 0.000 1.198 275 D HN 0.356 nan 8.370 nan 0.000 0.437 276 W N 4.696 126.051 121.300 0.091 0.000 2.417 276 W HA 0.286 4.946 4.660 -0.000 0.000 0.317 276 W C -2.326 174.241 176.519 0.080 0.000 1.121 276 W CA -1.800 55.615 57.345 0.117 0.000 1.208 276 W CB 1.148 30.693 29.460 0.142 0.000 1.253 276 W HN 0.232 nan 8.180 nan 0.000 0.533 277 P HA 0.144 nan 4.420 nan 0.000 0.275 277 P C -0.401 176.552 177.300 -0.578 0.000 1.228 277 P CA -0.013 62.282 63.100 -1.342 0.000 0.786 277 P CB 1.729 32.808 31.700 -1.035 0.000 0.927 278 V N -0.657 118.943 119.914 -0.524 0.000 2.966 278 V HA 0.516 4.636 4.120 -0.000 0.000 0.317 278 V C 0.153 176.026 176.094 -0.369 0.000 1.070 278 V CA -1.072 61.044 62.300 -0.307 0.000 1.008 278 V CB 1.323 32.961 31.823 -0.309 0.000 1.070 278 V HN 0.575 nan 8.190 nan 0.000 0.457 279 N N 3.400 121.896 118.700 -0.340 0.000 2.406 279 N HA 0.380 5.120 4.740 -0.000 0.000 0.251 279 N C -1.240 173.937 175.510 -0.555 0.000 1.069 279 N CA -2.322 50.502 53.050 -0.377 0.000 0.947 279 N CB 1.336 39.663 38.487 -0.265 0.000 1.111 279 N HN 0.548 nan 8.380 nan 0.000 0.497 280 P HA -0.138 nan 4.420 nan 0.000 0.216 280 P C 0.249 177.164 177.300 -0.642 0.000 1.150 280 P CA 1.180 63.580 63.100 -1.168 0.000 0.843 280 P CB 0.471 30.920 31.700 -2.086 0.000 0.787 281 D N -0.468 119.650 120.400 -0.470 0.000 2.218 281 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 281 D C 2.169 178.329 176.300 -0.234 0.000 0.976 281 D CA 0.999 54.822 54.000 -0.295 0.000 0.853 281 D CB -0.496 40.170 40.800 -0.223 0.000 0.939 281 D HN 0.192 nan 8.370 nan 0.000 0.481 282 S N 0.463 116.013 115.700 -0.250 0.000 2.371 282 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 282 S C 2.154 176.663 174.600 -0.152 0.000 1.029 282 S CA 0.717 58.810 58.200 -0.178 0.000 0.978 282 S CB -0.147 62.951 63.200 -0.170 0.000 0.833 282 S HN 0.390 nan 8.310 nan 0.000 0.466 283 I N -1.042 119.397 120.570 -0.217 0.000 2.500 283 I HA 0.031 4.201 4.170 -0.000 0.000 0.252 283 I C 2.081 178.162 176.117 -0.060 0.000 1.142 283 I CA 1.014 62.244 61.300 -0.117 0.000 1.451 283 I CB -0.516 37.337 38.000 -0.245 0.000 1.093 283 I HN 0.222 nan 8.210 nan 0.000 0.430 284 I N 2.015 122.500 120.570 -0.142 0.000 2.133 284 I HA -0.222 3.948 4.170 -0.000 0.000 0.238 284 I C 2.301 178.371 176.117 -0.078 0.000 1.074 284 I CA 1.468 62.707 61.300 -0.102 0.000 1.342 284 I CB -0.618 37.301 38.000 -0.134 0.000 1.053 284 I HN 0.267 nan 8.210 nan 0.000 0.404 285 N N 1.124 119.769 118.700 -0.092 0.000 2.244 285 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 285 N C 1.829 177.307 175.510 -0.054 0.000 1.016 285 N CA 1.468 54.476 53.050 -0.071 0.000 0.866 285 N CB -0.674 37.766 38.487 -0.078 0.000 0.980 285 N HN 0.417 nan 8.380 nan 0.000 0.430 286 G N 0.120 108.892 108.800 -0.046 0.000 2.559 286 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 286 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 286 G C 1.496 176.388 174.900 -0.014 0.000 1.126 286 G CA 1.066 46.153 45.100 -0.022 0.000 0.778 286 G HN 0.491 nan 8.290 nan 0.000 0.543 287 S N -0.542 115.147 115.700 -0.018 0.000 2.558 287 S HA 0.048 4.518 4.470 -0.000 0.000 0.217 287 S C 0.703 175.260 174.600 -0.071 0.000 0.975 287 S CA -0.132 58.044 58.200 -0.041 0.000 0.912 287 S CB 0.083 63.258 63.200 -0.042 0.000 0.776 287 S HN 0.278 nan 8.310 nan 0.000 0.526 288 D N 1.421 121.785 120.400 -0.060 0.000 2.414 288 D HA 0.306 4.946 4.640 -0.000 0.000 0.242 288 D C 1.364 177.629 176.300 -0.060 0.000 1.129 288 D CA 0.554 54.520 54.000 -0.057 0.000 0.885 288 D CB 1.517 42.290 40.800 -0.045 0.000 1.198 288 D HN 0.205 nan 8.370 nan 0.000 0.437 289 A N 4.885 127.671 122.820 -0.056 0.000 1.978 289 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 289 A C 2.007 179.570 177.584 -0.036 0.000 1.170 289 A CA 1.918 53.924 52.037 -0.052 0.000 0.636 289 A CB -0.509 18.470 19.000 -0.034 0.000 0.810 289 A HN 0.797 nan 8.150 nan 0.000 0.448 290 K N -0.625 119.758 120.400 -0.028 0.000 2.281 290 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 290 K C 1.491 178.078 176.600 -0.022 0.000 1.046 290 K CA 1.840 58.116 56.287 -0.018 0.000 0.938 290 K CB -0.328 32.162 32.500 -0.017 0.000 0.737 290 K HN 0.538 nan 8.250 nan 0.000 0.458 291 I N 0.562 121.111 120.570 -0.034 0.000 3.136 291 I HA 0.038 4.208 4.170 -0.000 0.000 0.262 291 I C 2.446 178.534 176.117 -0.048 0.000 1.132 291 I CA 0.453 61.731 61.300 -0.036 0.000 1.450 291 I CB -0.043 37.935 38.000 -0.037 0.000 1.315 291 I HN 0.141 nan 8.210 nan 0.000 0.460 292 A N 1.015 123.792 122.820 -0.073 0.000 2.024 292 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 292 A C 2.035 179.535 177.584 -0.141 0.000 1.164 292 A CA 1.388 53.351 52.037 -0.125 0.000 0.643 292 A CB -0.613 18.276 19.000 -0.185 0.000 0.806 292 A HN 0.435 nan 8.150 nan 0.000 0.451 293 L N -1.125 120.050 121.223 -0.080 0.000 2.640 293 L HA 0.301 4.641 4.340 -0.000 0.000 0.230 293 L C 0.977 177.865 176.870 0.030 0.000 1.123 293 L CA -0.131 54.700 54.840 -0.015 0.000 0.900 293 L CB -0.139 41.924 42.059 0.006 0.000 1.146 293 L HN 0.348 nan 8.230 nan 0.000 0.484 294 A N 0.697 123.521 122.820 0.007 0.000 2.304 294 A HA 0.716 5.036 4.320 -0.000 0.000 0.301 294 A C 0.405 177.988 177.584 -0.002 0.000 1.132 294 A CA -0.267 51.781 52.037 0.018 0.000 0.819 294 A CB 0.628 19.628 19.000 -0.001 0.000 1.094 294 A HN 0.186 nan 8.150 nan 0.000 0.492 295 A N 2.158 124.973 122.820 -0.008 0.000 2.462 295 A HA 0.573 4.893 4.320 -0.000 0.000 0.243 295 A C 0.344 177.816 177.584 -0.186 0.000 1.076 295 A CA -0.020 51.932 52.037 -0.143 0.000 0.773 295 A CB 0.133 18.936 19.000 -0.327 0.000 1.010 295 A HN 0.735 nan 8.150 nan 0.000 0.493 296 R N 1.886 122.256 120.500 -0.217 0.000 2.604 296 R HA 0.455 4.795 4.340 -0.000 0.000 0.281 296 R C -3.165 173.003 176.300 -0.220 0.000 1.020 296 R CA -2.053 53.941 56.100 -0.176 0.000 0.899 296 R CB 2.026 32.269 30.300 -0.096 0.000 1.205 296 R HN 0.525 nan 8.270 nan 0.000 0.450 297 P HA 0.089 nan 4.420 nan 0.000 0.271 297 P C -0.167 177.074 177.300 -0.098 0.000 1.216 297 P CA -0.229 62.765 63.100 -0.177 0.000 0.771 297 P CB 0.840 32.461 31.700 -0.131 0.000 0.864 298 V N 0.303 120.167 119.914 -0.083 0.000 2.715 298 V HA 0.572 4.692 4.120 -0.000 0.000 0.310 298 V C -0.044 176.167 176.094 0.194 0.000 1.054 298 V CA -1.191 61.135 62.300 0.044 0.000 0.928 298 V CB 1.904 33.716 31.823 -0.018 0.000 1.007 298 V HN 0.420 nan 8.190 nan 0.000 0.437 299 K N 2.822 123.378 120.400 0.260 0.000 2.213 299 K HA 0.760 5.080 4.320 -0.000 0.000 0.270 299 K C 0.063 176.896 176.600 0.388 0.000 1.002 299 K CA -0.291 56.152 56.287 0.259 0.000 0.868 299 K CB 1.433 34.020 32.500 0.145 0.000 1.093 299 K HN 1.166 nan 8.250 nan 0.000 0.454 300 A N 5.041 128.059 122.820 0.329 0.000 2.440 300 A HA 0.296 4.616 4.320 -0.000 0.000 0.251 300 A C -0.169 177.376 177.584 -0.065 0.000 1.089 300 A CA -0.443 51.587 52.037 -0.011 0.000 0.779 300 A CB 0.135 19.095 19.000 -0.067 0.000 1.022 300 A HN 0.665 nan 8.150 nan 0.000 0.492 301 I N 3.185 123.639 120.570 -0.194 0.000 2.307 301 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 301 I C -0.035 175.984 176.117 -0.164 0.000 1.054 301 I CA 0.264 61.497 61.300 -0.111 0.000 1.218 301 I CB 0.250 38.198 38.000 -0.087 0.000 1.398 301 I HN 0.509 nan 8.210 nan 0.000 0.475 302 T N 7.768 122.263 114.554 -0.100 0.000 2.874 302 T HA 0.431 4.781 4.350 -0.000 0.000 0.321 302 T C -1.774 172.889 174.700 -0.062 0.000 1.075 302 T CA -0.972 61.076 62.100 -0.086 0.000 0.966 302 T CB 1.247 70.084 68.868 -0.052 0.000 1.001 302 T HN 0.426 nan 8.240 nan 0.000 0.476 303 P HA 0.482 nan 4.420 nan 0.000 0.279 303 P C -3.040 174.173 177.300 -0.146 0.000 1.276 303 P CA -2.172 60.870 63.100 -0.097 0.000 0.801 303 P CB 0.097 31.755 31.700 -0.072 0.000 1.127 304 P HA 0.076 nan 4.420 nan 0.000 0.266 304 P C -0.270 176.868 177.300 -0.270 0.000 1.195 304 P CA 0.487 63.383 63.100 -0.340 0.000 0.768 304 P CB -0.048 31.270 31.700 -0.638 0.000 0.838 305 T N 5.405 119.805 114.554 -0.257 0.000 2.851 305 T HA 0.256 4.606 4.350 -0.000 0.000 0.298 305 T C -2.114 172.458 174.700 -0.212 0.000 0.977 305 T CA -1.058 60.922 62.100 -0.201 0.000 1.126 305 T CB -0.108 68.643 68.868 -0.195 0.000 0.916 305 T HN 0.271 nan 8.240 nan 0.000 0.529 306 P HA 0.215 nan 4.420 nan 0.000 0.270 306 P C -0.553 176.671 177.300 -0.127 0.000 1.223 306 P CA -0.503 62.519 63.100 -0.131 0.000 0.785 306 P CB 0.299 31.943 31.700 -0.092 0.000 0.923 307 A N 2.130 124.889 122.820 -0.102 0.000 2.591 307 A HA 0.063 4.383 4.320 -0.000 0.000 0.244 307 A C 0.139 177.666 177.584 -0.094 0.000 1.031 307 A CA 0.295 52.277 52.037 -0.091 0.000 0.767 307 A CB -0.797 18.163 19.000 -0.066 0.000 0.942 307 A HN 0.365 nan 8.150 nan 0.000 0.514 308 V N 6.019 125.869 119.914 -0.107 0.000 2.432 308 V HA 0.151 4.271 4.120 -0.000 0.000 0.275 308 V C 1.530 177.584 176.094 -0.068 0.000 1.043 308 V CA -0.446 61.798 62.300 -0.093 0.000 0.925 308 V CB 1.052 32.802 31.823 -0.122 0.000 0.985 308 V HN 1.049 nan 8.190 nan 0.000 0.466 309 R N 3.562 124.032 120.500 -0.051 0.000 2.092 309 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 309 R C 1.241 177.527 176.300 -0.024 0.000 1.119 309 R CA 1.338 57.411 56.100 -0.045 0.000 0.970 309 R CB -0.085 30.190 30.300 -0.042 0.000 0.864 309 R HN 0.724 nan 8.270 nan 0.000 0.440 310 A N 1.888 124.720 122.820 0.021 0.000 3.056 310 A HA 0.272 4.592 4.320 -0.000 0.000 0.274 310 A C -0.494 177.185 177.584 0.159 0.000 1.661 310 A CA 0.021 52.124 52.037 0.110 0.000 1.363 310 A CB 0.049 19.141 19.000 0.154 0.000 1.139 310 A HN 0.040 nan 8.150 nan 0.000 0.598 311 S N 0.616 116.374 115.700 0.097 0.000 2.570 311 S HA 0.525 4.995 4.470 -0.000 0.000 0.286 311 S C -0.949 173.724 174.600 0.122 0.000 1.099 311 S CA -0.590 57.684 58.200 0.123 0.000 0.913 311 S CB 1.220 64.409 63.200 -0.018 0.000 1.085 311 S HN 0.699 nan 8.310 nan 0.000 0.480 312 W N 3.892 125.217 121.300 0.041 0.000 2.308 312 W HA 0.553 5.213 4.660 -0.000 0.000 0.311 312 W C -1.830 174.551 176.519 -0.229 0.000 1.088 312 W CA -0.489 56.828 57.345 -0.046 0.000 1.309 312 W CB 0.547 30.084 29.460 0.129 0.000 1.229 312 W HN 0.334 nan 8.180 nan 0.000 0.427 313 V N 7.649 127.120 119.914 -0.738 0.000 2.417 313 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 313 V C -0.050 175.616 176.094 -0.714 0.000 1.024 313 V CA -0.354 61.469 62.300 -0.794 0.000 0.861 313 V CB 1.267 32.122 31.823 -1.613 0.000 0.985 313 V HN 0.683 nan 8.190 nan 0.000 0.436 314 H N 2.574 121.553 119.070 -0.153 0.000 2.948 314 H HA 0.907 5.463 4.556 -0.000 0.000 0.315 314 H C -1.286 174.296 175.328 0.422 0.000 1.360 314 H CA -1.297 54.782 56.048 0.052 0.000 1.125 314 H CB 2.214 32.020 29.762 0.073 0.000 1.844 314 H HN 0.437 nan 8.280 nan 0.000 0.529 315 K N 1.123 121.635 120.400 0.186 0.000 2.580 315 K HA 0.252 4.572 4.320 -0.000 0.000 0.258 315 K C -1.415 175.301 176.600 0.193 0.000 0.936 315 K CA -0.029 56.325 56.287 0.113 0.000 0.852 315 K CB 2.028 34.583 32.500 0.091 0.000 1.329 315 K HN 0.931 nan 8.250 nan 0.000 0.430 316 T N 0.011 114.689 114.554 0.207 0.000 2.922 316 T HA 0.862 5.212 4.350 -0.000 0.000 0.285 316 T C 0.322 175.127 174.700 0.175 0.000 1.005 316 T CA -0.445 61.817 62.100 0.270 0.000 1.061 316 T CB 1.609 70.541 68.868 0.107 0.000 1.007 316 T HN 0.646 nan 8.240 nan 0.000 0.502 317 G N -0.512 108.394 108.800 0.176 0.000 2.733 317 G HA2 0.753 4.713 3.960 -0.000 0.000 0.297 317 G HA3 0.753 4.713 3.960 -0.000 0.000 0.297 317 G C -1.483 173.506 174.900 0.149 0.000 1.422 317 G CA -0.594 44.607 45.100 0.168 0.000 0.942 317 G HN 1.138 nan 8.290 nan 0.000 0.510 318 A N 0.456 123.360 122.820 0.140 0.000 2.606 318 A HA 0.987 5.307 4.320 -0.000 0.000 0.293 318 A C -0.011 177.651 177.584 0.131 0.000 1.082 318 A CA 0.091 52.214 52.037 0.143 0.000 0.685 318 A CB 1.692 20.743 19.000 0.085 0.000 1.284 318 A HN 1.872 nan 8.150 nan 0.000 0.408 319 T N -2.358 112.309 114.554 0.189 0.000 2.693 319 T HA 0.631 4.981 4.350 -0.000 0.000 0.278 319 T C 1.273 176.074 174.700 0.167 0.000 0.994 319 T CA 0.179 62.366 62.100 0.145 0.000 1.033 319 T CB 0.952 69.951 68.868 0.218 0.000 1.342 319 T HN 1.561 nan 8.240 nan 0.000 0.538 320 G N -0.471 108.414 108.800 0.142 0.000 2.432 320 G HA2 0.198 4.158 3.960 -0.000 0.000 0.219 320 G HA3 0.198 4.158 3.960 -0.000 0.000 0.219 320 G C 1.128 176.116 174.900 0.148 0.000 1.135 320 G CA 0.580 45.751 45.100 0.119 0.000 0.767 320 G HN 1.166 nan 8.290 nan 0.000 0.550 321 G N -1.318 107.620 108.800 0.229 0.000 3.377 321 G HA2 0.483 4.443 3.960 -0.000 0.000 0.257 321 G HA3 0.483 4.443 3.960 -0.000 0.000 0.257 321 G C -0.424 174.466 174.900 -0.017 0.000 1.038 321 G CA -0.442 44.715 45.100 0.095 0.000 0.809 321 G HN 0.182 nan 8.290 nan 0.000 0.526 322 F N -0.551 119.522 119.950 0.205 0.000 2.613 322 F HA 0.711 5.238 4.527 0.000 0.000 0.314 322 F C 0.288 176.219 175.800 0.219 0.000 1.075 322 F CA -1.101 57.058 58.000 0.265 0.000 0.945 322 F CB 2.458 41.636 39.000 0.298 0.000 1.310 322 F HN 0.011 nan 8.300 nan 0.000 0.467 323 G N 0.802 109.873 108.800 0.451 0.000 2.739 323 G HA2 0.582 4.542 3.960 -0.000 0.000 0.291 323 G HA3 0.582 4.542 3.960 -0.000 0.000 0.291 323 G C -1.643 173.422 174.900 0.274 0.000 1.478 323 G CA -0.573 44.676 45.100 0.249 0.000 1.062 323 G HN 0.561 nan 8.290 nan 0.000 0.532 324 S N 0.211 116.046 115.700 0.224 0.000 2.634 324 S HA 0.823 5.293 4.470 -0.000 0.000 0.296 324 S C -1.695 173.090 174.600 0.308 0.000 1.104 324 S CA -0.649 57.702 58.200 0.252 0.000 0.920 324 S CB 2.061 65.404 63.200 0.238 0.000 1.111 324 S HN 0.690 nan 8.310 nan 0.000 0.493 325 Y N 0.390 120.790 120.300 0.167 0.000 2.521 325 Y HA 0.593 5.143 4.550 0.000 0.000 0.332 325 Y C -1.907 174.139 175.900 0.243 0.000 1.121 325 Y CA -0.758 57.455 58.100 0.189 0.000 1.037 325 Y CB 1.010 39.580 38.460 0.183 0.000 1.330 325 Y HN 0.481 nan 8.280 nan 0.000 0.452 326 V N 4.336 124.063 119.914 -0.312 0.000 2.686 326 V HA 0.973 5.093 4.120 -0.000 0.000 0.306 326 V C -0.900 174.942 176.094 -0.420 0.000 1.065 326 V CA -0.274 61.945 62.300 -0.134 0.000 0.894 326 V CB 1.521 33.523 31.823 0.299 0.000 1.004 326 V HN 1.014 nan 8.190 nan 0.000 0.424 327 A N 4.677 127.288 122.820 -0.347 0.000 2.520 327 A HA 1.036 5.356 4.320 -0.000 0.000 0.298 327 A C -1.305 175.995 177.584 -0.473 0.000 1.051 327 A CA -0.511 51.166 52.037 -0.600 0.000 0.690 327 A CB 1.812 20.319 19.000 -0.821 0.000 1.281 327 A HN 1.470 nan 8.150 nan 0.000 0.402 328 F N -0.720 118.773 119.950 -0.762 0.000 2.668 328 F HA 0.831 5.358 4.527 -0.000 0.000 0.309 328 F C -1.442 174.008 175.800 -0.584 0.000 1.117 328 F CA -1.233 56.406 58.000 -0.601 0.000 0.951 328 F CB 1.305 40.016 39.000 -0.483 0.000 1.323 328 F HN 0.320 nan 8.300 nan 0.000 0.451 329 I N 2.376 122.776 120.570 -0.285 0.000 2.466 329 I HA 0.308 4.478 4.170 -0.000 0.000 0.279 329 I C -2.163 173.851 176.117 -0.171 0.000 1.033 329 I CA -1.885 59.217 61.300 -0.330 0.000 1.123 329 I CB 1.891 39.559 38.000 -0.554 0.000 1.237 329 I HN 0.372 nan 8.210 nan 0.000 0.460 330 P HA -0.230 nan 4.420 nan 0.000 0.216 330 P C 1.404 178.641 177.300 -0.106 0.000 1.153 330 P CA 1.279 64.341 63.100 -0.063 0.000 0.858 330 P CB 0.290 31.964 31.700 -0.044 0.000 0.789 331 E N -0.323 119.812 120.200 -0.109 0.000 2.265 331 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 331 E C 1.075 177.602 176.600 -0.121 0.000 0.996 331 E CA 0.963 57.308 56.400 -0.092 0.000 0.832 331 E CB -0.107 29.564 29.700 -0.047 0.000 0.756 331 E HN 0.037 nan 8.360 nan 0.000 0.491 332 K N 0.370 120.661 120.400 -0.182 0.000 2.358 332 K HA 0.061 4.381 4.320 -0.000 0.000 0.200 332 K C -0.277 176.211 176.600 -0.187 0.000 1.030 332 K CA 0.255 56.428 56.287 -0.191 0.000 1.097 332 K CB 0.527 32.865 32.500 -0.269 0.000 0.862 332 K HN 0.180 nan 8.250 nan 0.000 0.534 333 E N 0.771 120.870 120.200 -0.169 0.000 2.360 333 E HA -0.236 4.114 4.350 -0.000 0.000 0.238 333 E C -0.590 175.913 176.600 -0.161 0.000 1.186 333 E CA 0.253 56.553 56.400 -0.167 0.000 0.719 333 E CB -1.548 28.046 29.700 -0.177 0.000 1.236 333 E HN 0.037 nan 8.360 nan 0.000 0.386 334 L N -0.313 120.821 121.223 -0.148 0.000 2.386 334 L HA 0.821 5.161 4.340 -0.000 0.000 0.271 334 L C 0.125 176.939 176.870 -0.094 0.000 0.993 334 L CA 0.220 54.999 54.840 -0.101 0.000 0.819 334 L CB 2.132 44.113 42.059 -0.130 0.000 1.294 334 L HN 0.082 nan 8.230 nan 0.000 0.414 335 G N 3.929 112.703 108.800 -0.043 0.000 2.623 335 G HA2 0.613 4.573 3.960 -0.000 0.000 0.290 335 G HA3 0.613 4.573 3.960 -0.000 0.000 0.290 335 G C -2.237 172.670 174.900 0.011 0.000 1.437 335 G CA -0.441 44.635 45.100 -0.040 0.000 0.798 335 G HN 0.801 nan 8.290 nan 0.000 0.488 336 I N -0.266 120.315 120.570 0.019 0.000 2.827 336 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 336 I C -1.368 174.817 176.117 0.114 0.000 1.235 336 I CA -0.993 60.361 61.300 0.091 0.000 1.021 336 I CB 2.328 40.405 38.000 0.127 0.000 1.259 336 I HN 0.393 nan 8.210 nan 0.000 0.427 337 V N 7.213 127.230 119.914 0.172 0.000 2.588 337 V HA 0.525 4.645 4.120 -0.000 0.000 0.304 337 V C -0.504 175.726 176.094 0.227 0.000 1.042 337 V CA -0.439 61.980 62.300 0.199 0.000 0.877 337 V CB 1.821 33.775 31.823 0.218 0.000 0.996 337 V HN 0.645 nan 8.190 nan 0.000 0.425 338 M N 6.101 125.846 119.600 0.241 0.000 2.134 338 M HA 0.599 5.079 4.480 -0.000 0.000 0.310 338 M C -1.313 175.087 176.300 0.168 0.000 0.966 338 M CA -0.136 55.303 55.300 0.232 0.000 0.922 338 M CB 1.801 34.584 32.600 0.306 0.000 1.537 338 M HN 0.396 nan 8.290 nan 0.000 0.424 339 L N 3.007 124.230 121.223 0.000 0.000 2.325 339 L HA 0.953 5.293 4.340 -0.000 0.000 0.281 339 L C -0.390 176.327 176.870 -0.254 0.000 1.004 339 L CA -0.693 54.005 54.840 -0.238 0.000 0.823 339 L CB 1.695 43.282 42.059 -0.786 0.000 1.236 339 L HN 0.778 nan 8.230 nan 0.000 0.415 340 A N 2.089 125.015 122.820 0.176 0.000 2.435 340 A HA 0.593 4.913 4.320 -0.000 0.000 0.304 340 A C -0.295 177.644 177.584 0.592 0.000 1.064 340 A CA -0.746 51.526 52.037 0.392 0.000 0.727 340 A CB 1.241 20.468 19.000 0.380 0.000 1.284 340 A HN 0.752 nan 8.150 nan 0.000 0.415 341 N N 1.185 120.171 118.700 0.476 0.000 2.575 341 N HA 0.173 4.913 4.740 -0.000 0.000 0.275 341 N C -0.495 175.007 175.510 -0.014 0.000 1.202 341 N CA -0.106 52.933 53.050 -0.017 0.000 0.945 341 N CB 0.212 38.657 38.487 -0.071 0.000 1.247 341 N HN 0.601 nan 8.380 nan 0.000 0.510 342 K N 0.150 120.638 120.400 0.146 0.000 2.543 342 K HA 0.222 4.542 4.320 -0.000 0.000 0.255 342 K C -1.651 175.129 176.600 0.301 0.000 0.934 342 K CA -0.691 55.704 56.287 0.180 0.000 0.810 342 K CB 1.257 33.858 32.500 0.167 0.000 1.315 342 K HN -0.021 nan 8.250 nan 0.000 0.433 343 N N 3.906 122.744 118.700 0.230 0.000 2.482 343 N HA 0.115 4.855 4.740 -0.000 0.000 0.242 343 N C -1.424 174.206 175.510 0.200 0.000 1.100 343 N CA -0.070 53.098 53.050 0.196 0.000 0.946 343 N CB -0.044 38.526 38.487 0.137 0.000 1.227 343 N HN 0.456 nan 8.380 nan 0.000 0.508 344 Y N 1.668 122.009 120.300 0.069 0.000 2.534 344 Y HA 0.756 5.306 4.550 0.000 0.000 0.329 344 Y C -2.588 173.330 175.900 0.029 0.000 1.154 344 Y CA -3.445 54.679 58.100 0.040 0.000 1.192 344 Y CB -0.433 38.045 38.460 0.030 0.000 1.275 344 Y HN 0.296 nan 8.280 nan 0.000 0.491 345 P HA -0.003 nan 4.420 nan 0.000 0.261 345 P C 0.067 177.257 177.300 -0.183 0.000 1.173 345 P CA 0.427 63.490 63.100 -0.062 0.000 0.760 345 P CB 0.685 32.395 31.700 0.017 0.000 0.783 346 N N 4.767 123.358 118.700 -0.181 0.000 2.094 346 N HA -0.136 4.604 4.740 -0.000 0.000 0.191 346 N C -0.853 174.555 175.510 -0.170 0.000 1.023 346 N CA 1.810 54.734 53.050 -0.210 0.000 0.857 346 N CB -1.851 36.544 38.487 -0.153 0.000 1.013 346 N HN 0.452 nan 8.380 nan 0.000 0.426 347 P HA -0.068 nan 4.420 nan 0.000 0.218 347 P C 0.989 178.266 177.300 -0.038 0.000 1.148 347 P CA 1.479 64.538 63.100 -0.069 0.000 0.822 347 P CB -0.045 31.627 31.700 -0.046 0.000 0.784 348 A N -0.162 122.660 122.820 0.004 0.000 1.930 348 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 348 A C 2.191 179.844 177.584 0.114 0.000 1.175 348 A CA 1.295 53.387 52.037 0.090 0.000 0.627 348 A CB -0.882 18.239 19.000 0.201 0.000 0.815 348 A HN 0.105 nan 8.150 nan 0.000 0.443 349 R N -0.589 119.921 120.500 0.018 0.000 2.066 349 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 349 R C 2.001 178.224 176.300 -0.128 0.000 1.131 349 R CA 1.486 57.570 56.100 -0.027 0.000 0.955 349 R CB -0.687 29.452 30.300 -0.269 0.000 0.851 349 R HN 0.366 nan 8.270 nan 0.000 0.432 350 V N 1.729 121.479 119.914 -0.274 0.000 2.358 350 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 350 V C 1.973 178.150 176.094 0.138 0.000 1.047 350 V CA 2.166 64.376 62.300 -0.151 0.000 1.035 350 V CB -0.601 31.152 31.823 -0.117 0.000 0.658 350 V HN 0.327 nan 8.190 nan 0.000 0.452 351 D N 0.604 121.055 120.400 0.085 0.000 2.104 351 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 351 D C 2.108 178.549 176.300 0.235 0.000 0.994 351 D CA 1.738 55.826 54.000 0.147 0.000 0.830 351 D CB -0.189 40.658 40.800 0.078 0.000 0.959 351 D HN 0.353 nan 8.370 nan 0.000 0.452 352 A N 0.486 123.417 122.820 0.184 0.000 1.902 352 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 352 A C 2.424 180.160 177.584 0.252 0.000 1.181 352 A CA 2.380 54.525 52.037 0.180 0.000 0.623 352 A CB -1.219 17.861 19.000 0.134 0.000 0.818 352 A HN 0.360 nan 8.150 nan 0.000 0.443 353 A N -1.721 121.312 122.820 0.356 0.000 1.902 353 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 353 A C 2.013 179.927 177.584 0.551 0.000 1.181 353 A CA 1.603 53.932 52.037 0.488 0.000 0.623 353 A CB -0.911 18.563 19.000 0.791 0.000 0.818 353 A HN 0.847 nan 8.150 nan 0.000 0.443 354 W N 0.623 122.177 121.300 0.422 0.000 2.388 354 W HA -0.155 4.505 4.660 -0.000 0.000 0.294 354 W C 2.358 179.018 176.519 0.236 0.000 1.212 354 W CA 1.865 59.413 57.345 0.339 0.000 1.271 354 W CB -0.148 29.340 29.460 0.048 0.000 1.126 354 W HN 0.448 nan 8.180 nan 0.000 0.535 355 Q N -0.075 119.878 119.800 0.255 0.000 2.124 355 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 355 Q C 2.131 178.099 176.000 -0.053 0.000 0.977 355 Q CA 2.043 57.879 55.803 0.055 0.000 0.850 355 Q CB -0.415 28.408 28.738 0.141 0.000 0.901 355 Q HN 0.421 nan 8.270 nan 0.000 0.429 356 I N 0.327 120.914 120.570 0.028 0.000 2.193 356 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 356 I C 2.154 178.255 176.117 -0.026 0.000 1.084 356 I CA 0.979 62.281 61.300 0.004 0.000 1.365 356 I CB -0.190 37.839 38.000 0.048 0.000 1.064 356 I HN 0.172 nan 8.210 nan 0.000 0.410 357 L N 0.337 121.570 121.223 0.016 0.000 2.093 357 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 357 L C 2.230 179.037 176.870 -0.105 0.000 1.085 357 L CA 1.338 56.174 54.840 -0.007 0.000 0.755 357 L CB -0.828 41.280 42.059 0.081 0.000 0.904 357 L HN 0.334 nan 8.230 nan 0.000 0.435 358 N N 0.495 119.002 118.700 -0.321 0.000 2.244 358 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 358 N C 1.733 177.131 175.510 -0.188 0.000 1.016 358 N CA 1.254 54.075 53.050 -0.382 0.000 0.866 358 N CB 0.048 37.835 38.487 -1.167 0.000 0.980 358 N HN 0.274 nan 8.380 nan 0.000 0.430 359 A N -0.250 122.470 122.820 -0.167 0.000 2.014 359 A HA 0.054 4.373 4.320 -0.000 0.000 0.218 359 A C 1.947 179.507 177.584 -0.040 0.000 1.163 359 A CA 0.767 52.753 52.037 -0.086 0.000 0.652 359 A CB -0.310 18.643 19.000 -0.079 0.000 0.808 359 A HN 0.348 nan 8.150 nan 0.000 0.449 360 L N -0.512 120.697 121.223 -0.024 0.000 2.513 360 L HA 0.070 4.410 4.340 -0.000 0.000 0.222 360 L C 1.220 178.169 176.870 0.132 0.000 1.096 360 L CA -0.173 54.694 54.840 0.045 0.000 0.857 360 L CB -0.278 41.809 42.059 0.047 0.000 1.026 360 L HN 0.555 nan 8.230 nan 0.000 0.469 361 Q N 0.000 119.837 119.800 0.062 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 28.751 28.738 0.022 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481