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 1xgj_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.450 177.584 -0.223 0.000 1.274 4 A CA 0.000 51.923 52.037 -0.191 0.000 0.836 4 A CB 0.000 18.858 19.000 -0.237 0.000 0.831 5 P HA 0.075 nan 4.420 nan 0.000 0.265 5 P C 0.747 177.938 177.300 -0.182 0.000 1.187 5 P CA -0.055 62.903 63.100 -0.236 0.000 0.766 5 P CB 0.614 32.127 31.700 -0.312 0.000 0.820 6 Q N 2.686 122.420 119.800 -0.110 0.000 2.197 6 Q HA -0.264 4.076 4.340 -0.000 0.000 0.207 6 Q C 1.677 177.628 176.000 -0.082 0.000 0.984 6 Q CA 1.783 57.544 55.803 -0.071 0.000 0.869 6 Q CB 0.012 28.723 28.738 -0.044 0.000 0.906 6 Q HN 0.568 nan 8.270 nan 0.000 0.426 7 Q N -0.200 119.523 119.800 -0.128 0.000 2.124 7 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 7 Q C 2.096 177.999 176.000 -0.161 0.000 0.977 7 Q CA 1.431 57.151 55.803 -0.137 0.000 0.850 7 Q CB -0.679 27.958 28.738 -0.169 0.000 0.901 7 Q HN 0.493 nan 8.270 nan 0.000 0.429 8 I N 1.530 121.965 120.570 -0.226 0.000 2.233 8 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 8 I C 2.039 178.118 176.117 -0.062 0.000 1.093 8 I CA 1.265 62.455 61.300 -0.183 0.000 1.380 8 I CB -0.459 37.400 38.000 -0.234 0.000 1.067 8 I HN 0.270 nan 8.210 nan 0.000 0.413 9 N N 0.641 119.356 118.700 0.026 0.000 2.104 9 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 9 N C 1.503 177.056 175.510 0.071 0.000 1.024 9 N CA 1.609 54.734 53.050 0.125 0.000 0.853 9 N CB -0.097 38.448 38.487 0.097 0.000 1.008 9 N HN 0.321 nan 8.380 nan 0.000 0.424 10 D N 0.680 121.097 120.400 0.028 0.000 2.084 10 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 10 D C 1.790 178.109 176.300 0.030 0.000 0.985 10 D CA 0.667 54.694 54.000 0.046 0.000 0.826 10 D CB -0.042 40.765 40.800 0.012 0.000 0.978 10 D HN 0.104 nan 8.370 nan 0.000 0.456 11 I N -0.231 120.324 120.570 -0.025 0.000 2.315 11 I HA -0.150 4.019 4.170 -0.000 0.000 0.248 11 I C 2.060 178.153 176.117 -0.040 0.000 1.117 11 I CA 0.818 62.096 61.300 -0.037 0.000 1.404 11 I CB -0.128 37.835 38.000 -0.062 0.000 1.071 11 I HN -0.027 nan 8.210 nan 0.000 0.419 12 V N 0.184 120.045 119.914 -0.089 0.000 2.295 12 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 12 V C 2.541 178.684 176.094 0.082 0.000 1.049 12 V CA 2.290 64.516 62.300 -0.125 0.000 1.024 12 V CB -1.065 30.432 31.823 -0.543 0.000 0.648 12 V HN 0.555 nan 8.190 nan 0.000 0.447 13 H N 0.591 119.683 119.070 0.037 0.000 2.389 13 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 13 H C 2.395 177.774 175.328 0.084 0.000 1.081 13 H CA 1.789 57.919 56.048 0.137 0.000 1.345 13 H CB -0.056 29.775 29.762 0.114 0.000 1.393 13 H HN 0.276 nan 8.280 nan 0.000 0.520 14 R N -1.210 119.272 120.500 -0.030 0.000 2.148 14 R HA 0.002 4.342 4.340 -0.000 0.000 0.223 14 R C 1.753 178.008 176.300 -0.076 0.000 1.088 14 R CA 1.565 57.606 56.100 -0.098 0.000 0.985 14 R CB 0.282 30.557 30.300 -0.042 0.000 0.880 14 R HN 0.310 nan 8.270 nan 0.000 0.451 15 T N 0.339 114.866 114.554 -0.044 0.000 2.980 15 T HA 0.118 4.468 4.350 -0.000 0.000 0.239 15 T C 1.701 176.353 174.700 -0.079 0.000 1.011 15 T CA 0.329 62.404 62.100 -0.041 0.000 1.171 15 T CB 0.179 69.039 68.868 -0.014 0.000 0.873 15 T HN -0.042 nan 8.240 nan 0.000 0.431 16 I N 2.136 122.649 120.570 -0.094 0.000 2.286 16 I HA -0.075 4.095 4.170 -0.000 0.000 0.245 16 I C 2.600 178.489 176.117 -0.381 0.000 1.104 16 I CA 1.373 62.519 61.300 -0.257 0.000 1.397 16 I CB -1.788 36.000 38.000 -0.354 0.000 1.072 16 I HN 0.256 nan 8.210 nan 0.000 0.417 17 T N 2.123 116.575 114.554 -0.170 0.000 2.684 17 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 17 T C -0.292 174.305 174.700 -0.172 0.000 1.036 17 T CA 1.684 63.713 62.100 -0.118 0.000 1.148 17 T CB -1.302 67.682 68.868 0.193 0.000 0.863 17 T HN 0.239 nan 8.240 nan 0.000 0.436 18 P HA 0.039 nan 4.420 nan 0.000 0.217 18 P C 1.642 178.856 177.300 -0.144 0.000 1.151 18 P CA 0.397 63.421 63.100 -0.126 0.000 0.828 18 P CB -0.152 31.486 31.700 -0.104 0.000 0.788 19 L N -0.474 120.643 121.223 -0.177 0.000 2.012 19 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 19 L C 2.121 178.826 176.870 -0.275 0.000 1.073 19 L CA 1.854 56.575 54.840 -0.198 0.000 0.748 19 L CB -1.195 40.745 42.059 -0.198 0.000 0.891 19 L HN -0.139 nan 8.230 nan 0.000 0.431 20 I N -0.461 119.905 120.570 -0.339 0.000 2.264 20 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 20 I C 2.431 178.423 176.117 -0.209 0.000 1.111 20 I CA 1.053 62.153 61.300 -0.334 0.000 1.382 20 I CB -0.415 37.344 38.000 -0.401 0.000 1.060 20 I HN 0.332 nan 8.210 nan 0.000 0.418 21 E N 0.592 120.697 120.200 -0.158 0.000 2.047 21 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 21 E C 2.186 178.730 176.600 -0.092 0.000 0.987 21 E CA 1.241 57.581 56.400 -0.099 0.000 0.799 21 E CB -0.372 29.285 29.700 -0.071 0.000 0.752 21 E HN 0.583 nan 8.360 nan 0.000 0.449 22 Q N 0.236 119.976 119.800 -0.100 0.000 2.096 22 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 22 Q C 1.891 177.845 176.000 -0.076 0.000 0.982 22 Q CA 1.110 56.868 55.803 -0.076 0.000 0.850 22 Q CB 0.039 28.736 28.738 -0.068 0.000 0.901 22 Q HN 0.166 nan 8.270 nan 0.000 0.422 23 Q N -0.007 119.717 119.800 -0.127 0.000 2.360 23 Q HA 0.048 4.387 4.340 -0.000 0.000 0.202 23 Q C -0.253 175.687 176.000 -0.101 0.000 0.915 23 Q CA 0.189 55.919 55.803 -0.122 0.000 0.943 23 Q CB 0.736 29.309 28.738 -0.275 0.000 1.064 23 Q HN 0.168 nan 8.270 nan 0.000 0.511 24 K N 0.558 120.898 120.400 -0.101 0.000 3.148 24 K HA -0.184 4.135 4.320 -0.000 0.000 0.267 24 K C -0.387 176.169 176.600 -0.075 0.000 0.996 24 K CA 0.440 56.683 56.287 -0.074 0.000 0.737 24 K CB -2.367 30.108 32.500 -0.041 0.000 1.308 24 K HN 0.353 nan 8.250 nan 0.000 0.470 25 I N 1.483 121.980 120.570 -0.121 0.000 2.452 25 I HA -0.005 4.165 4.170 -0.000 0.000 0.287 25 I C -0.720 175.379 176.117 -0.030 0.000 1.079 25 I CA -1.876 59.371 61.300 -0.088 0.000 1.387 25 I CB 0.733 38.614 38.000 -0.199 0.000 1.404 25 I HN -0.011 nan 8.210 nan 0.000 0.522 26 P HA -0.041 nan 4.420 nan 0.000 0.216 26 P C 0.385 177.754 177.300 0.114 0.000 1.153 26 P CA 0.596 63.703 63.100 0.012 0.000 0.848 26 P CB 0.267 31.916 31.700 -0.085 0.000 0.787 27 G N -1.524 107.403 108.800 0.211 0.000 2.733 27 G HA2 0.665 4.625 3.960 -0.000 0.000 0.297 27 G HA3 0.665 4.625 3.960 -0.000 0.000 0.297 27 G C -1.956 173.190 174.900 0.409 0.000 1.422 27 G CA -0.383 44.911 45.100 0.324 0.000 0.942 27 G HN 0.059 nan 8.290 nan 0.000 0.510 28 M N 1.128 121.008 119.600 0.467 0.000 2.465 28 M HA 0.729 5.209 4.480 -0.000 0.000 0.284 28 M C -1.505 175.141 176.300 0.578 0.000 1.212 28 M CA -0.561 54.985 55.300 0.409 0.000 0.910 28 M CB 2.267 34.941 32.600 0.122 0.000 1.725 28 M HN 1.116 nan 8.290 nan 0.000 0.477 29 A N 3.182 126.208 122.820 0.343 0.000 2.414 29 A HA 0.894 5.214 4.320 -0.000 0.000 0.306 29 A C -1.798 176.007 177.584 0.368 0.000 1.054 29 A CA -0.624 51.662 52.037 0.415 0.000 0.724 29 A CB 1.909 21.107 19.000 0.330 0.000 1.267 29 A HN 0.640 nan 8.150 nan 0.000 0.418 30 V N 0.706 120.952 119.914 0.554 0.000 2.841 30 V HA 0.796 4.915 4.120 -0.000 0.000 0.310 30 V C 0.009 176.436 176.094 0.555 0.000 1.090 30 V CA -0.204 62.396 62.300 0.500 0.000 0.930 30 V CB 1.931 34.079 31.823 0.542 0.000 1.014 30 V HN 1.485 nan 8.190 nan 0.000 0.425 31 A N 3.777 126.837 122.820 0.401 0.000 2.343 31 A HA 0.896 5.216 4.320 -0.000 0.000 0.316 31 A C -1.149 176.584 177.584 0.248 0.000 1.104 31 A CA -0.566 51.648 52.037 0.296 0.000 0.768 31 A CB 1.785 20.916 19.000 0.218 0.000 1.213 31 A HN 0.683 nan 8.150 nan 0.000 0.456 32 V N 3.452 123.534 119.914 0.280 0.000 2.448 32 V HA 0.352 4.472 4.120 -0.000 0.000 0.295 32 V C -0.816 175.400 176.094 0.202 0.000 1.025 32 V CA -0.279 62.168 62.300 0.245 0.000 0.859 32 V CB 1.342 33.341 31.823 0.294 0.000 0.988 32 V HN 0.735 nan 8.190 nan 0.000 0.431 33 I N 5.866 126.512 120.570 0.127 0.000 2.304 33 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 33 I C -0.700 175.534 176.117 0.196 0.000 1.018 33 I CA -0.172 61.179 61.300 0.086 0.000 1.260 33 I CB 0.766 38.752 38.000 -0.025 0.000 1.390 33 I HN 0.584 nan 8.210 nan 0.000 0.475 34 Y N 5.486 125.864 120.300 0.129 0.000 2.338 34 Y HA 0.332 4.882 4.550 -0.000 0.000 0.333 34 Y C 0.235 176.185 175.900 0.083 0.000 0.968 34 Y CA -0.911 57.252 58.100 0.105 0.000 1.123 34 Y CB 1.127 39.668 38.460 0.136 0.000 1.165 34 Y HN 0.679 nan 8.280 nan 0.000 0.452 35 Q N 4.499 124.047 119.800 -0.420 0.000 2.457 35 Q HA -0.271 4.068 4.340 -0.000 0.000 0.283 35 Q C 1.088 177.000 176.000 -0.147 0.000 1.234 35 Q CA 1.183 56.776 55.803 -0.349 0.000 0.877 35 Q CB -1.687 26.796 28.738 -0.425 0.000 1.250 35 Q HN 1.400 nan 8.270 nan 0.000 0.481 36 G N -0.588 108.147 108.800 -0.109 0.000 2.212 36 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.266 36 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.266 36 G C 0.050 174.906 174.900 -0.074 0.000 0.978 36 G CA 0.787 45.830 45.100 -0.094 0.000 0.632 36 G HN 0.328 nan 8.290 nan 0.000 0.537 37 K N 1.509 121.889 120.400 -0.032 0.000 2.138 37 K HA 0.551 4.871 4.320 -0.000 0.000 0.263 37 K C -2.650 173.783 176.600 -0.278 0.000 0.965 37 K CA -1.945 54.265 56.287 -0.128 0.000 0.868 37 K CB 2.646 35.093 32.500 -0.089 0.000 1.083 37 K HN 0.089 nan 8.250 nan 0.000 0.443 38 P HA 0.218 nan 4.420 nan 0.000 0.292 38 P C -1.493 175.095 177.300 -1.188 0.000 1.283 38 P CA -0.417 62.311 63.100 -0.620 0.000 0.835 38 P CB 0.626 32.051 31.700 -0.457 0.000 1.017 39 Y N 1.189 121.191 120.300 -0.495 0.000 2.425 39 Y HA 0.463 5.013 4.550 -0.000 0.000 0.344 39 Y C -0.084 175.373 175.900 -0.737 0.000 0.969 39 Y CA -0.552 57.240 58.100 -0.513 0.000 1.052 39 Y CB 1.898 40.253 38.460 -0.175 0.000 1.215 39 Y HN 0.285 nan 8.280 nan 0.000 0.451 40 Y N 2.208 122.281 120.300 -0.379 0.000 2.446 40 Y HA 0.711 5.261 4.550 -0.000 0.000 0.338 40 Y C -1.080 174.334 175.900 -0.810 0.000 1.055 40 Y CA -1.620 56.282 58.100 -0.330 0.000 1.101 40 Y CB 1.384 39.759 38.460 -0.143 0.000 1.221 40 Y HN 0.355 nan 8.280 nan 0.000 0.460 41 F N 0.016 120.060 119.950 0.157 0.000 2.581 41 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 41 F C -0.286 175.395 175.800 -0.199 0.000 1.113 41 F CA -1.029 56.874 58.000 -0.161 0.000 0.935 41 F CB 2.255 41.140 39.000 -0.192 0.000 1.232 41 F HN 0.411 nan 8.300 nan 0.000 0.445 42 T N -1.543 112.821 114.554 -0.316 0.000 2.896 42 T HA 0.733 5.082 4.350 -0.000 0.000 0.297 42 T C -1.607 172.961 174.700 -0.221 0.000 1.108 42 T CA -0.761 61.323 62.100 -0.027 0.000 1.004 42 T CB 2.073 71.000 68.868 0.099 0.000 1.159 42 T HN 0.633 nan 8.240 nan 0.000 0.499 43 W N 0.078 121.472 121.300 0.155 0.000 3.296 43 W HA 0.480 5.139 4.660 -0.000 0.000 0.314 43 W C 0.751 177.304 176.519 0.056 0.000 1.238 43 W CA -0.296 57.101 57.345 0.087 0.000 1.193 43 W CB 1.622 31.130 29.460 0.080 0.000 1.383 43 W HN 1.387 nan 8.180 nan 0.000 0.545 44 G N 1.436 110.331 108.800 0.158 0.000 2.575 44 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.267 44 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.267 44 G C -1.347 173.548 174.900 -0.008 0.000 1.264 44 G CA -0.139 44.917 45.100 -0.073 0.000 0.935 44 G HN 0.576 nan 8.290 nan 0.000 0.568 45 Y N -0.099 120.294 120.300 0.156 0.000 2.446 45 Y HA 0.563 5.113 4.550 -0.000 0.000 0.338 45 Y C 1.318 177.332 175.900 0.191 0.000 1.055 45 Y CA -0.505 57.681 58.100 0.144 0.000 1.101 45 Y CB 2.014 40.526 38.460 0.086 0.000 1.221 45 Y HN 0.768 nan 8.280 nan 0.000 0.460 46 A N 0.612 123.645 122.820 0.355 0.000 2.030 46 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 46 A C 0.105 177.885 177.584 0.326 0.000 1.164 46 A CA 0.935 53.120 52.037 0.246 0.000 0.697 46 A CB 0.172 19.249 19.000 0.129 0.000 0.827 46 A HN 0.674 nan 8.150 nan 0.000 0.457 47 D N -0.844 119.737 120.400 0.302 0.000 2.479 47 D HA 0.395 5.035 4.640 -0.000 0.000 0.246 47 D C 0.565 176.909 176.300 0.073 0.000 1.336 47 D CA -0.403 53.787 54.000 0.317 0.000 0.967 47 D CB 0.810 41.776 40.800 0.277 0.000 1.275 47 D HN 0.126 nan 8.370 nan 0.000 0.577 48 I N 2.233 122.855 120.570 0.085 0.000 2.163 48 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 48 I C 2.540 178.527 176.117 -0.216 0.000 1.081 48 I CA 1.204 62.417 61.300 -0.145 0.000 1.353 48 I CB -0.117 37.744 38.000 -0.232 0.000 1.054 48 I HN 0.443 nan 8.210 nan 0.000 0.407 49 A N 1.032 123.788 122.820 -0.107 0.000 1.917 49 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 49 A C 2.451 179.955 177.584 -0.134 0.000 1.182 49 A CA 2.738 54.708 52.037 -0.112 0.000 0.633 49 A CB -0.939 18.006 19.000 -0.093 0.000 0.819 49 A HN 0.422 nan 8.150 nan 0.000 0.448 50 K N -0.396 119.932 120.400 -0.119 0.000 2.444 50 K HA 0.217 4.537 4.320 -0.000 0.000 0.193 50 K C 0.796 177.265 176.600 -0.219 0.000 1.024 50 K CA 0.806 57.027 56.287 -0.111 0.000 1.077 50 K CB -0.776 31.709 32.500 -0.025 0.000 0.833 50 K HN 0.605 nan 8.250 nan 0.000 0.517 51 K N 0.252 120.366 120.400 -0.477 0.000 3.012 51 K HA -0.205 4.115 4.320 -0.000 0.000 0.259 51 K C 0.053 176.386 176.600 -0.444 0.000 0.989 51 K CA 0.805 56.512 56.287 -0.966 0.000 0.728 51 K CB -1.446 30.709 32.500 -0.575 0.000 1.260 51 K HN 0.653 nan 8.250 nan 0.000 0.480 52 Q N 1.195 120.874 119.800 -0.202 0.000 2.295 52 Q HA 0.180 4.520 4.340 -0.000 0.000 0.259 52 Q C -2.290 173.839 176.000 0.216 0.000 0.976 52 Q CA -2.042 53.782 55.803 0.034 0.000 0.923 52 Q CB 0.905 29.677 28.738 0.055 0.000 1.185 52 Q HN 0.042 nan 8.270 nan 0.000 0.410 53 P HA 0.047 nan 4.420 nan 0.000 0.276 53 P C -0.714 176.730 177.300 0.239 0.000 1.252 53 P CA -0.393 62.912 63.100 0.342 0.000 0.802 53 P CB 0.912 32.757 31.700 0.241 0.000 1.035 54 V N 1.776 121.845 119.914 0.257 0.000 2.715 54 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 54 V C 1.153 177.365 176.094 0.196 0.000 1.054 54 V CA 0.696 63.152 62.300 0.261 0.000 1.077 54 V CB 0.547 32.610 31.823 0.401 0.000 0.972 54 V HN 0.923 nan 8.190 nan 0.000 0.484 55 T N 1.009 115.660 114.554 0.162 0.000 2.778 55 T HA 0.304 4.653 4.350 -0.000 0.000 0.293 55 T C 0.440 175.186 174.700 0.076 0.000 1.144 55 T CA -0.571 61.581 62.100 0.088 0.000 1.010 55 T CB 1.751 70.641 68.868 0.035 0.000 1.325 55 T HN 0.500 nan 8.240 nan 0.000 0.515 56 Q N 0.081 119.865 119.800 -0.026 0.000 2.541 56 Q HA -0.046 4.294 4.340 -0.000 0.000 0.215 56 Q C 0.955 176.897 176.000 -0.097 0.000 0.977 56 Q CA 1.108 56.846 55.803 -0.109 0.000 0.934 56 Q CB -0.456 28.084 28.738 -0.331 0.000 0.988 56 Q HN 0.876 nan 8.270 nan 0.000 0.521 57 Q N 0.416 120.175 119.800 -0.068 0.000 2.247 57 Q HA 0.155 4.495 4.340 -0.000 0.000 0.211 57 Q C -0.216 175.761 176.000 -0.039 0.000 0.861 57 Q CA 0.076 55.805 55.803 -0.123 0.000 0.949 57 Q CB 0.816 29.464 28.738 -0.150 0.000 1.115 57 Q HN 0.212 nan 8.270 nan 0.000 0.507 58 T N 1.922 116.503 114.554 0.044 0.000 2.853 58 T HA 0.187 4.536 4.350 -0.000 0.000 0.298 58 T C -0.213 174.506 174.700 0.032 0.000 0.978 58 T CA -0.008 62.101 62.100 0.015 0.000 1.152 58 T CB 0.427 69.287 68.868 -0.013 0.000 0.914 58 T HN 0.000 nan 8.240 nan 0.000 0.539 59 L N 4.246 125.446 121.223 -0.038 0.000 2.292 59 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 59 L C -0.382 176.443 176.870 -0.075 0.000 1.065 59 L CA -0.042 54.791 54.840 -0.012 0.000 0.806 59 L CB 0.329 42.308 42.059 -0.134 0.000 1.175 59 L HN 0.531 nan 8.230 nan 0.000 0.431 60 F N 0.660 120.643 119.950 0.054 0.000 2.538 60 F HA 0.425 4.952 4.527 -0.000 0.000 0.325 60 F C 0.481 176.055 175.800 -0.377 0.000 1.066 60 F CA -0.915 57.087 58.000 0.003 0.000 0.946 60 F CB 1.278 40.427 39.000 0.249 0.000 1.199 60 F HN 0.395 nan 8.300 nan 0.000 0.473 61 E N 2.567 122.231 120.200 -0.894 0.000 2.290 61 E HA 0.175 4.525 4.350 -0.000 0.000 0.277 61 E C 0.414 176.932 176.600 -0.136 0.000 1.035 61 E CA -0.063 56.004 56.400 -0.554 0.000 0.873 61 E CB 0.928 30.198 29.700 -0.717 0.000 1.029 61 E HN 0.619 nan 8.360 nan 0.000 0.419 62 L N 2.785 124.011 121.223 0.004 0.000 2.446 62 L HA 0.086 4.426 4.340 -0.000 0.000 0.219 62 L C 1.406 178.378 176.870 0.170 0.000 1.116 62 L CA 0.425 55.340 54.840 0.125 0.000 0.844 62 L CB -0.747 41.396 42.059 0.139 0.000 0.970 62 L HN 0.902 nan 8.230 nan 0.000 0.457 63 G N 0.523 109.424 108.800 0.169 0.000 2.596 63 G HA2 -0.391 3.568 3.960 -0.000 0.000 0.295 63 G HA3 -0.391 3.568 3.960 -0.000 0.000 0.295 63 G C 0.848 175.897 174.900 0.249 0.000 1.240 63 G CA 0.385 45.618 45.100 0.222 0.000 0.985 63 G HN 0.209 nan 8.290 nan 0.000 0.555 64 S N -0.226 115.621 115.700 0.246 0.000 2.500 64 S HA -0.010 4.460 4.470 -0.000 0.000 0.239 64 S C 2.392 177.119 174.600 0.212 0.000 0.989 64 S CA 1.365 59.724 58.200 0.265 0.000 0.951 64 S CB -0.158 63.244 63.200 0.337 0.000 0.759 64 S HN 0.748 nan 8.310 nan 0.000 0.523 65 V N 1.615 121.644 119.914 0.191 0.000 2.720 65 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 65 V C 2.179 178.378 176.094 0.175 0.000 1.082 65 V CA 1.495 63.883 62.300 0.145 0.000 1.101 65 V CB -0.854 31.086 31.823 0.195 0.000 0.693 65 V HN 0.456 nan 8.190 nan 0.000 0.479 66 S N -0.144 115.702 115.700 0.243 0.000 2.402 66 S HA -0.258 4.212 4.470 -0.000 0.000 0.233 66 S C 1.911 176.668 174.600 0.262 0.000 1.030 66 S CA 1.436 59.821 58.200 0.309 0.000 1.003 66 S CB -0.301 63.016 63.200 0.195 0.000 0.813 66 S HN 0.646 nan 8.310 nan 0.000 0.477 67 K N 0.860 121.361 120.400 0.168 0.000 2.280 67 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 67 K C 2.431 179.045 176.600 0.023 0.000 1.047 67 K CA 1.578 57.939 56.287 0.124 0.000 0.942 67 K CB -0.458 32.133 32.500 0.151 0.000 0.739 67 K HN 0.629 nan 8.250 nan 0.000 0.457 68 T N -1.408 113.054 114.554 -0.153 0.000 2.904 68 T HA -0.079 4.270 4.350 -0.000 0.000 0.267 68 T C 1.702 176.381 174.700 -0.036 0.000 1.059 68 T CA 0.718 62.543 62.100 -0.459 0.000 1.137 68 T CB -0.299 67.828 68.868 -1.236 0.000 0.879 68 T HN 0.009 nan 8.240 nan 0.000 0.467 69 F N 2.126 122.121 119.950 0.074 0.000 2.206 69 F HA 0.083 4.609 4.527 -0.000 0.000 0.298 69 F C 2.959 178.815 175.800 0.094 0.000 1.090 69 F CA 1.182 59.190 58.000 0.013 0.000 1.323 69 F CB -1.038 37.855 39.000 -0.180 0.000 1.028 69 F HN 0.136 nan 8.300 nan 0.000 0.492 70 T N -0.608 114.136 114.554 0.317 0.000 2.777 70 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 70 T C 2.380 177.262 174.700 0.303 0.000 1.040 70 T CA 1.406 63.705 62.100 0.332 0.000 1.141 70 T CB -0.989 68.063 68.868 0.307 0.000 0.868 70 T HN 0.424 nan 8.240 nan 0.000 0.444 71 G N 0.997 109.936 108.800 0.232 0.000 2.421 71 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 71 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 71 G C 1.697 176.750 174.900 0.254 0.000 1.171 71 G CA 0.843 46.073 45.100 0.217 0.000 0.775 71 G HN 0.431 nan 8.290 nan 0.000 0.543 72 V N 0.634 120.716 119.914 0.279 0.000 2.427 72 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 72 V C 2.671 178.890 176.094 0.208 0.000 1.051 72 V CA 1.539 64.017 62.300 0.297 0.000 1.048 72 V CB -0.350 31.762 31.823 0.481 0.000 0.666 72 V HN 0.348 nan 8.190 nan 0.000 0.456 73 L N 1.347 122.665 121.223 0.159 0.000 2.046 73 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 73 L C 2.313 179.198 176.870 0.026 0.000 1.077 73 L CA 2.438 57.290 54.840 0.021 0.000 0.747 73 L CB -1.234 40.754 42.059 -0.117 0.000 0.896 73 L HN 0.264 nan 8.230 nan 0.000 0.432 74 G N -1.172 107.698 108.800 0.117 0.000 2.418 74 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 74 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 74 G C 1.507 176.509 174.900 0.170 0.000 1.158 74 G CA 0.525 45.710 45.100 0.141 0.000 0.771 74 G HN 0.585 nan 8.290 nan 0.000 0.545 75 G N 0.528 109.439 108.800 0.186 0.000 2.408 75 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 75 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 75 G C 1.419 176.376 174.900 0.094 0.000 1.150 75 G CA 1.299 46.487 45.100 0.148 0.000 0.776 75 G HN 0.501 nan 8.290 nan 0.000 0.542 76 D N 0.676 121.122 120.400 0.076 0.000 2.117 76 D HA 0.007 4.646 4.640 -0.000 0.000 0.197 76 D C 2.643 178.948 176.300 0.009 0.000 0.987 76 D CA 1.459 55.481 54.000 0.038 0.000 0.829 76 D CB -0.244 40.569 40.800 0.021 0.000 0.961 76 D HN 0.233 nan 8.370 nan 0.000 0.460 77 A N -0.013 122.800 122.820 -0.011 0.000 1.930 77 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 77 A C 2.337 179.915 177.584 -0.009 0.000 1.175 77 A CA 1.107 53.121 52.037 -0.038 0.000 0.627 77 A CB -0.742 18.199 19.000 -0.098 0.000 0.815 77 A HN 0.391 nan 8.150 nan 0.000 0.443 78 I N -0.174 120.410 120.570 0.023 0.000 2.179 78 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 78 I C 2.916 179.056 176.117 0.038 0.000 1.088 78 I CA 1.124 62.450 61.300 0.042 0.000 1.357 78 I CB -0.342 37.702 38.000 0.074 0.000 1.051 78 I HN 0.329 nan 8.210 nan 0.000 0.409 79 A N 0.654 123.496 122.820 0.038 0.000 2.019 79 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 79 A C 2.285 179.880 177.584 0.018 0.000 1.164 79 A CA 1.303 53.358 52.037 0.030 0.000 0.644 79 A CB -0.548 18.471 19.000 0.030 0.000 0.805 79 A HN 0.351 nan 8.150 nan 0.000 0.449 80 R N -1.386 119.120 120.500 0.011 0.000 2.323 80 R HA 0.152 4.492 4.340 -0.000 0.000 0.198 80 R C 1.320 177.626 176.300 0.009 0.000 0.988 80 R CA 0.515 56.617 56.100 0.003 0.000 1.041 80 R CB -0.172 30.122 30.300 -0.010 0.000 0.926 80 R HN 0.670 nan 8.270 nan 0.000 0.476 81 G N 1.263 110.074 108.800 0.019 0.000 2.155 81 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 81 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 81 G C 0.520 175.440 174.900 0.034 0.000 0.983 81 G CA 0.614 45.730 45.100 0.028 0.000 0.676 81 G HN 0.478 nan 8.290 nan 0.000 0.528 82 E N -0.848 119.365 120.200 0.023 0.000 2.299 82 E HA 0.268 4.618 4.350 -0.000 0.000 0.193 82 E C 1.085 177.722 176.600 0.062 0.000 0.998 82 E CA 0.586 57.005 56.400 0.031 0.000 0.851 82 E CB 0.519 30.216 29.700 -0.006 0.000 0.795 82 E HN 0.565 nan 8.360 nan 0.000 0.492 83 I N 0.226 120.817 120.570 0.034 0.000 3.095 83 I HA 0.338 4.508 4.170 -0.000 0.000 0.310 83 I C -0.765 175.397 176.117 0.075 0.000 1.196 83 I CA -0.786 60.531 61.300 0.029 0.000 0.985 83 I CB 2.364 40.257 38.000 -0.179 0.000 1.250 83 I HN -0.193 nan 8.210 nan 0.000 0.446 84 K N 2.589 123.063 120.400 0.123 0.000 2.422 84 K HA 0.512 4.831 4.320 -0.000 0.000 0.251 84 K C 0.344 177.012 176.600 0.112 0.000 0.933 84 K CA -0.724 55.631 56.287 0.113 0.000 0.798 84 K CB 3.035 35.608 32.500 0.123 0.000 1.238 84 K HN 0.424 nan 8.250 nan 0.000 0.428 85 L N 0.986 122.257 121.223 0.080 0.000 2.291 85 L HA -0.143 4.197 4.340 -0.000 0.000 0.214 85 L C 2.036 178.929 176.870 0.040 0.000 1.120 85 L CA 1.205 56.070 54.840 0.041 0.000 0.799 85 L CB -0.237 41.800 42.059 -0.037 0.000 0.925 85 L HN 0.708 nan 8.230 nan 0.000 0.446 86 S N -2.383 113.356 115.700 0.064 0.000 2.481 86 S HA -0.032 4.437 4.470 -0.000 0.000 0.231 86 S C 0.628 175.292 174.600 0.108 0.000 0.996 86 S CA -0.040 58.200 58.200 0.067 0.000 0.942 86 S CB -0.379 62.861 63.200 0.066 0.000 0.768 86 S HN 0.243 nan 8.310 nan 0.000 0.520 87 D N 3.772 124.268 120.400 0.159 0.000 2.382 87 D HA 0.346 4.986 4.640 -0.000 0.000 0.245 87 D C -2.587 173.856 176.300 0.239 0.000 1.120 87 D CA -1.687 52.440 54.000 0.212 0.000 0.890 87 D CB 0.648 41.663 40.800 0.359 0.000 1.201 87 D HN 0.148 nan 8.370 nan 0.000 0.433 88 P HA 0.029 nan 4.420 nan 0.000 0.269 88 P C 0.776 178.229 177.300 0.255 0.000 1.209 88 P CA -0.027 63.195 63.100 0.204 0.000 0.776 88 P CB 0.578 32.358 31.700 0.133 0.000 0.876 89 T N 0.461 115.187 114.554 0.286 0.000 2.746 89 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 89 T C 1.703 176.518 174.700 0.191 0.000 1.039 89 T CA 2.299 64.564 62.100 0.274 0.000 1.142 89 T CB -0.994 68.033 68.868 0.265 0.000 0.866 89 T HN 0.631 nan 8.240 nan 0.000 0.444 90 T N 0.612 115.231 114.554 0.108 0.000 2.929 90 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 90 T C 1.792 176.488 174.700 -0.007 0.000 1.085 90 T CA 1.267 63.383 62.100 0.026 0.000 1.125 90 T CB -0.299 68.574 68.868 0.009 0.000 0.874 90 T HN 0.422 nan 8.240 nan 0.000 0.494 91 K N 0.272 120.625 120.400 -0.078 0.000 2.147 91 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 91 K C 1.200 177.504 176.600 -0.493 0.000 1.049 91 K CA 1.315 57.402 56.287 -0.334 0.000 0.936 91 K CB -0.242 31.936 32.500 -0.538 0.000 0.722 91 K HN 0.590 nan 8.250 nan 0.000 0.446 92 Y N -2.505 117.828 120.300 0.056 0.000 2.449 92 Y HA 0.140 4.690 4.550 -0.000 0.000 0.254 92 Y C 0.137 176.091 175.900 0.091 0.000 1.140 92 Y CA -0.655 57.466 58.100 0.035 0.000 1.272 92 Y CB 0.580 39.033 38.460 -0.012 0.000 1.114 92 Y HN 0.126 nan 8.280 nan 0.000 0.525 93 W N 2.325 123.613 121.300 -0.020 0.000 2.237 93 W HA 0.409 5.069 4.660 -0.000 0.000 0.289 93 W C -2.510 173.953 176.519 -0.093 0.000 0.988 93 W CA -3.784 53.516 57.345 -0.075 0.000 1.671 93 W CB 0.883 30.254 29.460 -0.149 0.000 1.746 93 W HN -0.087 nan 8.180 nan 0.000 0.380 94 P HA -0.277 nan 4.420 nan 0.000 0.218 94 P C 1.069 178.331 177.300 -0.063 0.000 1.154 94 P CA 2.422 65.542 63.100 0.034 0.000 0.872 94 P CB 0.448 32.178 31.700 0.049 0.000 0.790 95 E N -1.533 118.606 120.200 -0.102 0.000 2.472 95 E HA -0.056 4.294 4.350 -0.000 0.000 0.200 95 E C 0.537 176.843 176.600 -0.490 0.000 1.046 95 E CA 0.174 56.425 56.400 -0.249 0.000 0.871 95 E CB -0.604 28.990 29.700 -0.177 0.000 0.806 95 E HN 0.116 nan 8.360 nan 0.000 0.533 96 L N 1.432 122.234 121.223 -0.702 0.000 2.399 96 L HA 0.100 4.439 4.340 -0.000 0.000 0.257 96 L C 0.856 177.506 176.870 -0.367 0.000 1.236 96 L CA 0.390 54.761 54.840 -0.780 0.000 1.144 96 L CB -0.186 41.217 42.059 -1.094 0.000 1.379 96 L HN 0.017 nan 8.230 nan 0.000 0.414 97 T N -0.612 113.812 114.554 -0.216 0.000 3.044 97 T HA 0.349 4.699 4.350 -0.000 0.000 0.250 97 T C 0.961 175.678 174.700 0.028 0.000 1.081 97 T CA 0.239 62.297 62.100 -0.068 0.000 1.040 97 T CB -0.014 68.817 68.868 -0.061 0.000 0.962 97 T HN 0.518 nan 8.240 nan 0.000 0.506 98 A N 2.820 125.683 122.820 0.071 0.000 2.561 98 A HA 0.236 4.556 4.320 -0.000 0.000 0.234 98 A C 1.655 179.357 177.584 0.196 0.000 1.055 98 A CA 0.088 52.213 52.037 0.147 0.000 0.756 98 A CB 0.191 19.319 19.000 0.213 0.000 0.986 98 A HN 0.661 nan 8.150 nan 0.000 0.505 99 K N 1.668 122.128 120.400 0.100 0.000 2.280 99 K HA -0.215 4.105 4.320 -0.000 0.000 0.202 99 K C 1.427 178.057 176.600 0.049 0.000 1.047 99 K CA 1.470 57.800 56.287 0.071 0.000 0.942 99 K CB -0.088 32.425 32.500 0.022 0.000 0.739 99 K HN 0.832 nan 8.250 nan 0.000 0.457 100 Q N 0.435 120.230 119.800 -0.008 0.000 2.364 100 Q HA -0.159 4.181 4.340 -0.000 0.000 0.207 100 Q C 1.003 176.899 176.000 -0.173 0.000 0.970 100 Q CA 1.172 56.875 55.803 -0.168 0.000 0.888 100 Q CB -0.488 28.029 28.738 -0.368 0.000 0.951 100 Q HN 0.585 nan 8.270 nan 0.000 0.469 101 W N 1.601 122.954 121.300 0.088 0.000 2.770 101 W HA 0.134 4.794 4.660 -0.000 0.000 0.256 101 W C 0.383 176.964 176.519 0.104 0.000 1.291 101 W CA -0.383 57.039 57.345 0.129 0.000 1.396 101 W CB -0.024 29.491 29.460 0.091 0.000 1.114 101 W HN 0.078 nan 8.180 nan 0.000 0.637 102 N N 0.273 119.115 118.700 0.237 0.000 2.411 102 N HA 0.264 5.004 4.740 -0.000 0.000 0.265 102 N C 0.974 176.577 175.510 0.154 0.000 1.266 102 N CA 1.969 55.122 53.050 0.172 0.000 0.889 102 N CB 0.517 39.069 38.487 0.107 0.000 1.069 102 N HN 0.207 nan 8.380 nan 0.000 0.476 103 G N 2.506 111.416 108.800 0.184 0.000 2.195 103 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 103 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 103 G C 0.128 175.190 174.900 0.270 0.000 0.984 103 G CA -0.236 44.978 45.100 0.191 0.000 0.633 103 G HN 0.538 nan 8.290 nan 0.000 0.525 104 I N 2.875 123.633 120.570 0.312 0.000 2.304 104 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 104 I C 1.161 177.581 176.117 0.505 0.000 1.018 104 I CA 0.076 61.635 61.300 0.432 0.000 1.260 104 I CB 1.289 39.496 38.000 0.346 0.000 1.390 104 I HN 0.307 nan 8.210 nan 0.000 0.475 105 T N 3.095 117.983 114.554 0.558 0.000 2.923 105 T HA 0.448 4.797 4.350 -0.000 0.000 0.281 105 T C 1.237 176.050 174.700 0.188 0.000 0.995 105 T CA -0.850 61.397 62.100 0.246 0.000 0.985 105 T CB 1.391 70.284 68.868 0.041 0.000 1.114 105 T HN 0.416 nan 8.240 nan 0.000 0.548 106 L N 0.247 121.570 121.223 0.167 0.000 2.083 106 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 106 L C 2.555 179.416 176.870 -0.015 0.000 1.083 106 L CA 0.932 55.885 54.840 0.188 0.000 0.752 106 L CB -0.808 41.389 42.059 0.230 0.000 0.899 106 L HN 0.600 nan 8.230 nan 0.000 0.433 107 L N -0.120 121.029 121.223 -0.124 0.000 1.989 107 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 107 L C 2.420 179.202 176.870 -0.147 0.000 1.071 107 L CA 2.031 56.727 54.840 -0.239 0.000 0.749 107 L CB -0.744 41.191 42.059 -0.207 0.000 0.890 107 L HN 0.242 nan 8.230 nan 0.000 0.431 108 H N -0.987 118.144 119.070 0.101 0.000 2.319 108 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 108 H C 2.258 177.571 175.328 -0.025 0.000 1.092 108 H CA 1.840 57.929 56.048 0.069 0.000 1.302 108 H CB -0.274 29.551 29.762 0.105 0.000 1.373 108 H HN 0.328 nan 8.280 nan 0.000 0.497 109 L N 0.108 121.400 121.223 0.116 0.000 2.046 109 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 109 L C 2.821 179.598 176.870 -0.156 0.000 1.077 109 L CA 0.863 55.742 54.840 0.065 0.000 0.747 109 L CB -0.502 41.669 42.059 0.185 0.000 0.896 109 L HN 0.369 nan 8.230 nan 0.000 0.432 110 A N -0.278 122.271 122.820 -0.452 0.000 1.969 110 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 110 A C 2.113 179.257 177.584 -0.733 0.000 1.169 110 A CA 1.984 53.481 52.037 -0.900 0.000 0.635 110 A CB -0.661 17.355 19.000 -1.641 0.000 0.810 110 A HN 0.513 nan 8.150 nan 0.000 0.445 111 T N -6.134 108.110 114.554 -0.517 0.000 3.134 111 T HA 0.313 4.662 4.350 -0.000 0.000 0.260 111 T C 0.210 174.685 174.700 -0.375 0.000 1.027 111 T CA 0.208 62.035 62.100 -0.454 0.000 0.913 111 T CB -0.606 68.293 68.868 0.052 0.000 1.046 111 T HN 0.685 nan 8.240 nan 0.000 0.553 112 Y N 0.842 121.111 120.300 -0.053 0.000 4.177 112 Y HA -0.251 4.299 4.550 -0.000 0.000 0.227 112 Y C 1.128 176.977 175.900 -0.085 0.000 1.154 112 Y CA 0.523 58.592 58.100 -0.052 0.000 1.887 112 Y CB -3.161 35.278 38.460 -0.035 0.000 1.594 112 Y HN 0.611 nan 8.280 nan 0.000 0.668 113 T N -4.393 110.142 114.554 -0.032 0.000 3.266 113 T HA 0.710 5.059 4.350 -0.000 0.000 0.278 113 T C 1.352 176.011 174.700 -0.067 0.000 1.010 113 T CA 0.133 62.130 62.100 -0.172 0.000 0.909 113 T CB 0.605 69.105 68.868 -0.613 0.000 1.122 113 T HN 0.495 nan 8.240 nan 0.000 0.536 114 A N 1.214 124.055 122.820 0.035 0.000 2.119 114 A HA 0.592 4.912 4.320 -0.000 0.000 0.217 114 A C 1.863 179.505 177.584 0.096 0.000 1.153 114 A CA 0.592 52.635 52.037 0.009 0.000 0.692 114 A CB -0.717 18.270 19.000 -0.022 0.000 0.799 114 A HN 1.492 nan 8.150 nan 0.000 0.458 115 G N -3.064 105.873 108.800 0.227 0.000 2.188 115 G HA2 0.407 4.367 3.960 -0.000 0.000 0.112 115 G HA3 0.407 4.367 3.960 -0.000 0.000 0.112 115 G C 0.979 176.218 174.900 0.565 0.000 1.048 115 G CA 0.359 45.705 45.100 0.410 0.000 0.720 115 G HN 1.952 nan 8.290 nan 0.000 0.487 116 G N -0.909 108.243 108.800 0.587 0.000 2.131 116 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.201 116 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.201 116 G C 0.475 175.626 174.900 0.418 0.000 1.000 116 G CA 0.018 45.417 45.100 0.498 0.000 0.680 116 G HN 1.260 nan 8.290 nan 0.000 0.514 117 L N 2.111 123.404 121.223 0.118 0.000 2.514 117 L HA 0.241 4.581 4.340 -0.000 0.000 0.280 117 L C -0.751 176.172 176.870 0.088 0.000 1.223 117 L CA -1.141 53.558 54.840 -0.235 0.000 0.864 117 L CB 0.353 42.209 42.059 -0.339 0.000 1.118 117 L HN 0.106 nan 8.230 nan 0.000 0.494 118 P HA -0.059 nan 4.420 nan 0.000 0.271 118 P C 0.547 177.933 177.300 0.143 0.000 1.218 118 P CA -0.459 62.753 63.100 0.188 0.000 0.780 118 P CB 1.105 32.955 31.700 0.250 0.000 0.901 119 L N 1.566 122.864 121.223 0.124 0.000 2.021 119 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 119 L C 0.898 177.819 176.870 0.084 0.000 1.074 119 L CA 2.061 56.961 54.840 0.101 0.000 0.760 119 L CB -0.630 41.496 42.059 0.111 0.000 0.889 119 L HN 0.396 nan 8.230 nan 0.000 0.433 120 Q N -0.733 119.110 119.800 0.072 0.000 2.345 120 Q HA 0.398 4.738 4.340 -0.000 0.000 0.268 120 Q C -0.930 175.057 176.000 -0.022 0.000 1.054 120 Q CA -0.813 55.012 55.803 0.038 0.000 0.835 120 Q CB 2.076 30.821 28.738 0.012 0.000 1.339 120 Q HN -0.082 nan 8.270 nan 0.000 0.447 121 V N 3.498 123.362 119.914 -0.084 0.000 2.530 121 V HA 0.173 4.292 4.120 -0.000 0.000 0.282 121 V C -1.982 173.924 176.094 -0.313 0.000 1.048 121 V CA -1.297 60.794 62.300 -0.349 0.000 0.997 121 V CB 0.860 32.521 31.823 -0.271 0.000 0.987 121 V HN 0.593 nan 8.190 nan 0.000 0.477 122 P HA 0.023 nan 4.420 nan 0.000 0.265 122 P C 0.343 177.547 177.300 -0.159 0.000 1.187 122 P CA 0.047 63.013 63.100 -0.223 0.000 0.766 122 P CB 0.459 32.031 31.700 -0.213 0.000 0.820 123 D N 1.565 121.918 120.400 -0.078 0.000 2.309 123 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 123 D C 1.233 177.509 176.300 -0.040 0.000 0.968 123 D CA 1.171 55.145 54.000 -0.043 0.000 0.882 123 D CB 0.011 40.802 40.800 -0.015 0.000 0.918 123 D HN 0.462 nan 8.370 nan 0.000 0.503 124 E N -0.382 119.788 120.200 -0.050 0.000 2.285 124 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 124 E C 0.382 176.960 176.600 -0.038 0.000 0.997 124 E CA 0.069 56.451 56.400 -0.031 0.000 0.845 124 E CB 0.322 30.011 29.700 -0.019 0.000 0.782 124 E HN 0.007 nan 8.360 nan 0.000 0.491 125 V N 1.204 121.067 119.914 -0.084 0.000 2.421 125 V HA 0.235 4.355 4.120 -0.000 0.000 0.271 125 V C 1.007 177.075 176.094 -0.044 0.000 1.031 125 V CA 0.996 63.247 62.300 -0.081 0.000 1.032 125 V CB 0.434 32.134 31.823 -0.205 0.000 1.009 125 V HN 0.295 nan 8.190 nan 0.000 0.477 126 K N 3.797 124.192 120.400 -0.007 0.000 2.363 126 K HA 0.314 4.634 4.320 -0.000 0.000 0.215 126 K C 1.187 177.796 176.600 0.015 0.000 1.179 126 K CA 0.705 56.993 56.287 0.002 0.000 0.856 126 K CB -0.289 32.215 32.500 0.007 0.000 1.371 126 K HN 0.741 nan 8.250 nan 0.000 0.455 127 S N 0.976 116.694 115.700 0.029 0.000 2.624 127 S HA 0.189 4.659 4.470 -0.000 0.000 0.263 127 S C 1.461 176.100 174.600 0.065 0.000 1.287 127 S CA 0.273 58.496 58.200 0.039 0.000 0.990 127 S CB 1.406 64.632 63.200 0.042 0.000 0.950 127 S HN 0.810 nan 8.310 nan 0.000 0.561 128 S N 0.966 116.705 115.700 0.065 0.000 2.419 128 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 128 S C 1.806 176.510 174.600 0.175 0.000 1.016 128 S CA 1.095 59.356 58.200 0.102 0.000 0.974 128 S CB -1.063 62.173 63.200 0.061 0.000 0.786 128 S HN 0.655 nan 8.310 nan 0.000 0.492 129 S N 2.319 118.097 115.700 0.131 0.000 2.355 129 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 129 S C 1.571 176.258 174.600 0.145 0.000 1.031 129 S CA 1.286 59.565 58.200 0.132 0.000 0.993 129 S CB -0.585 62.668 63.200 0.088 0.000 0.859 129 S HN 0.511 nan 8.310 nan 0.000 0.453 130 D N 1.296 121.769 120.400 0.122 0.000 2.104 130 D HA -0.075 4.565 4.640 -0.000 0.000 0.194 130 D C 1.893 178.304 176.300 0.186 0.000 0.994 130 D CA 0.669 54.740 54.000 0.118 0.000 0.830 130 D CB -0.461 40.381 40.800 0.070 0.000 0.959 130 D HN 0.151 nan 8.370 nan 0.000 0.452 131 L N 0.447 121.808 121.223 0.229 0.000 2.017 131 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 131 L C 2.233 179.435 176.870 0.553 0.000 1.073 131 L CA 1.156 56.223 54.840 0.377 0.000 0.745 131 L CB -0.738 41.547 42.059 0.377 0.000 0.894 131 L HN 0.039 nan 8.230 nan 0.000 0.432 132 L N -0.312 121.211 121.223 0.500 0.000 2.012 132 L HA -0.237 4.102 4.340 -0.000 0.000 0.210 132 L C 2.731 179.688 176.870 0.144 0.000 1.073 132 L CA 1.995 57.006 54.840 0.285 0.000 0.748 132 L CB -0.725 41.456 42.059 0.204 0.000 0.891 132 L HN 0.316 nan 8.230 nan 0.000 0.431 133 R N -1.500 119.099 120.500 0.165 0.000 2.081 133 R HA -0.245 4.095 4.340 -0.000 0.000 0.235 133 R C 2.371 178.772 176.300 0.168 0.000 1.131 133 R CA 1.909 58.087 56.100 0.130 0.000 0.960 133 R CB -0.610 29.762 30.300 0.120 0.000 0.856 133 R HN 0.457 nan 8.270 nan 0.000 0.436 134 F N 0.478 120.460 119.950 0.053 0.000 2.069 134 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 134 F C 1.483 177.318 175.800 0.058 0.000 1.113 134 F CA 1.547 59.542 58.000 -0.008 0.000 1.214 134 F CB -0.696 38.212 39.000 -0.153 0.000 0.978 134 F HN 0.004 nan 8.300 nan 0.000 0.474 135 Y N 0.495 120.770 120.300 -0.042 0.000 2.293 135 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 135 Y C 2.622 178.659 175.900 0.227 0.000 1.137 135 Y CA 1.439 59.537 58.100 -0.003 0.000 1.202 135 Y CB -0.905 37.539 38.460 -0.027 0.000 0.990 135 Y HN 0.155 nan 8.280 nan 0.000 0.537 136 Q N 0.015 119.924 119.800 0.182 0.000 2.167 136 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 136 Q C 1.343 177.448 176.000 0.175 0.000 0.970 136 Q CA 1.332 57.228 55.803 0.155 0.000 0.855 136 Q CB -0.443 28.304 28.738 0.014 0.000 0.911 136 Q HN 0.664 nan 8.270 nan 0.000 0.438 137 N N -0.920 117.851 118.700 0.118 0.000 2.424 137 N HA -0.053 4.687 4.740 -0.000 0.000 0.178 137 N C -0.019 175.507 175.510 0.027 0.000 1.060 137 N CA -0.373 52.712 53.050 0.058 0.000 0.901 137 N CB 0.151 38.671 38.487 0.055 0.000 0.979 137 N HN 0.158 nan 8.380 nan 0.000 0.451 138 W N 3.098 124.314 121.300 -0.139 0.000 2.264 138 W HA 0.039 4.699 4.660 -0.000 0.000 0.331 138 W C -0.593 175.822 176.519 -0.172 0.000 1.364 138 W CA 0.034 57.252 57.345 -0.211 0.000 1.253 138 W CB 0.502 29.784 29.460 -0.296 0.000 1.215 138 W HN -0.049 nan 8.180 nan 0.000 0.561 139 Q N 8.607 127.808 119.800 -0.999 0.000 2.331 139 Q HA 0.333 4.672 4.340 -0.000 0.000 0.267 139 Q C -2.046 173.028 176.000 -1.543 0.000 1.006 139 Q CA -2.082 53.076 55.803 -1.074 0.000 0.818 139 Q CB 1.449 29.857 28.738 -0.550 0.000 1.276 139 Q HN 0.407 nan 8.270 nan 0.000 0.450 140 P HA 0.064 nan 4.420 nan 0.000 0.269 140 P C -0.319 176.586 177.300 -0.659 0.000 1.209 140 P CA 0.090 62.525 63.100 -1.108 0.000 0.776 140 P CB 0.967 32.189 31.700 -0.797 0.000 0.876 141 A N 2.488 124.929 122.820 -0.632 0.000 2.095 141 A HA 0.160 4.480 4.320 -0.000 0.000 0.212 141 A C 0.350 177.231 177.584 -1.171 0.000 1.162 141 A CA 0.509 51.928 52.037 -1.030 0.000 0.753 141 A CB -0.109 17.913 19.000 -1.629 0.000 0.840 141 A HN 0.589 nan 8.150 nan 0.000 0.468 142 W N -2.793 118.465 121.300 -0.070 0.000 3.042 142 W HA 0.626 5.286 4.660 -0.000 0.000 0.342 142 W C -0.011 176.456 176.519 -0.086 0.000 1.240 142 W CA -1.215 56.090 57.345 -0.066 0.000 1.166 142 W CB 0.938 30.372 29.460 -0.043 0.000 1.469 142 W HN 0.111 nan 8.180 nan 0.000 0.579 143 A N 2.981 125.891 122.820 0.149 0.000 2.386 143 A HA 0.555 4.875 4.320 -0.000 0.000 0.246 143 A C -2.075 175.517 177.584 0.013 0.000 1.089 143 A CA -0.788 51.273 52.037 0.039 0.000 0.790 143 A CB -0.743 18.278 19.000 0.035 0.000 1.042 143 A HN 0.154 nan 8.150 nan 0.000 0.497 144 P HA 0.279 nan 4.420 nan 0.000 0.271 144 P C 0.673 177.832 177.300 -0.235 0.000 1.218 144 P CA 1.317 64.236 63.100 -0.301 0.000 0.780 144 P CB 0.734 32.118 31.700 -0.527 0.000 0.901 145 G N 1.574 110.201 108.800 -0.289 0.000 2.147 145 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 145 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 145 G C 0.603 175.442 174.900 -0.101 0.000 1.005 145 G CA 0.763 45.830 45.100 -0.054 0.000 0.713 145 G HN 0.749 nan 8.290 nan 0.000 0.515 146 T N -4.923 109.534 114.554 -0.160 0.000 2.989 146 T HA 0.443 4.792 4.350 -0.000 0.000 0.250 146 T C 0.554 175.106 174.700 -0.247 0.000 0.981 146 T CA 0.784 62.812 62.100 -0.120 0.000 0.980 146 T CB 0.645 69.488 68.868 -0.041 0.000 1.133 146 T HN 0.283 nan 8.240 nan 0.000 0.489 147 Q N 0.988 120.594 119.800 -0.323 0.000 2.372 147 Q HA 0.483 4.823 4.340 -0.000 0.000 0.273 147 Q C -1.329 174.462 176.000 -0.348 0.000 1.078 147 Q CA -0.543 54.985 55.803 -0.459 0.000 0.806 147 Q CB 3.135 31.301 28.738 -0.954 0.000 1.332 147 Q HN 0.379 nan 8.270 nan 0.000 0.435 148 R N 2.160 122.486 120.500 -0.290 0.000 2.207 148 R HA 0.503 4.843 4.340 -0.000 0.000 0.334 148 R C -1.182 175.079 176.300 -0.066 0.000 1.013 148 R CA -0.510 55.508 56.100 -0.137 0.000 0.858 148 R CB 0.381 30.643 30.300 -0.063 0.000 1.094 148 R HN 0.472 nan 8.270 nan 0.000 0.457 149 L N 5.942 127.195 121.223 0.050 0.000 2.377 149 L HA 0.274 4.614 4.340 -0.000 0.000 0.270 149 L C -1.317 175.587 176.870 0.056 0.000 0.991 149 L CA -0.714 54.181 54.840 0.092 0.000 0.851 149 L CB 0.992 43.194 42.059 0.238 0.000 1.218 149 L HN 0.615 nan 8.230 nan 0.000 0.420 150 Y N 4.818 124.985 120.300 -0.221 0.000 2.881 150 Y HA 0.304 4.854 4.550 -0.000 0.000 0.335 150 Y C 0.104 175.833 175.900 -0.286 0.000 1.263 150 Y CA 1.082 58.843 58.100 -0.565 0.000 1.572 150 Y CB 0.354 38.560 38.460 -0.423 0.000 1.237 150 Y HN 0.829 nan 8.280 nan 0.000 0.568 151 A N 5.654 128.074 122.820 -0.667 0.000 2.491 151 A HA 0.297 4.617 4.320 -0.000 0.000 0.293 151 A C -0.064 177.465 177.584 -0.093 0.000 1.047 151 A CA -0.909 51.015 52.037 -0.188 0.000 0.735 151 A CB 0.854 19.884 19.000 0.049 0.000 1.281 151 A HN 0.773 nan 8.150 nan 0.000 0.398 152 N N 1.117 119.802 118.700 -0.024 0.000 2.244 152 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 152 N C 1.984 177.572 175.510 0.130 0.000 1.016 152 N CA 1.923 55.020 53.050 0.078 0.000 0.866 152 N CB -0.084 38.506 38.487 0.171 0.000 0.980 152 N HN 0.831 nan 8.380 nan 0.000 0.430 153 S N -1.087 114.712 115.700 0.165 0.000 2.515 153 S HA 0.045 4.515 4.470 -0.000 0.000 0.231 153 S C 1.989 176.775 174.600 0.310 0.000 0.987 153 S CA 0.868 59.242 58.200 0.290 0.000 0.936 153 S CB 0.021 63.426 63.200 0.341 0.000 0.766 153 S HN 0.195 nan 8.310 nan 0.000 0.528 154 S N 1.242 117.060 115.700 0.198 0.000 2.357 154 S HA 0.251 4.721 4.470 -0.000 0.000 0.209 154 S C 1.635 176.311 174.600 0.127 0.000 1.023 154 S CA 0.424 58.720 58.200 0.161 0.000 0.933 154 S CB -0.569 62.733 63.200 0.170 0.000 0.897 154 S HN 0.550 nan 8.310 nan 0.000 0.529 155 I N 1.330 121.965 120.570 0.108 0.000 2.493 155 I HA 0.009 4.179 4.170 -0.000 0.000 0.254 155 I C 2.118 178.299 176.117 0.107 0.000 1.160 155 I CA 1.200 62.547 61.300 0.078 0.000 1.445 155 I CB -0.596 37.415 38.000 0.019 0.000 1.086 155 I HN 0.486 nan 8.210 nan 0.000 0.433 156 G N 0.997 109.833 108.800 0.060 0.000 2.440 156 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.218 156 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.218 156 G C 1.536 176.385 174.900 -0.085 0.000 1.154 156 G CA 0.917 45.989 45.100 -0.047 0.000 0.767 156 G HN 0.384 nan 8.290 nan 0.000 0.552 157 L N -0.287 120.938 121.223 0.004 0.000 2.056 157 L HA 0.138 4.478 4.340 -0.000 0.000 0.207 157 L C 2.426 179.240 176.870 -0.094 0.000 1.078 157 L CA 1.430 56.214 54.840 -0.094 0.000 0.749 157 L CB -0.747 41.211 42.059 -0.168 0.000 0.901 157 L HN 0.228 nan 8.230 nan 0.000 0.433 158 F N 0.506 120.384 119.950 -0.118 0.000 2.043 158 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 158 F C 2.227 177.954 175.800 -0.121 0.000 1.121 158 F CA 1.985 59.916 58.000 -0.115 0.000 1.199 158 F CB -1.173 37.765 39.000 -0.103 0.000 0.968 158 F HN 0.126 nan 8.300 nan 0.000 0.478 159 G N -0.272 108.350 108.800 -0.297 0.000 2.491 159 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 159 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 159 G C 1.847 176.575 174.900 -0.287 0.000 1.180 159 G CA 1.411 46.329 45.100 -0.303 0.000 0.774 159 G HN 0.723 nan 8.290 nan 0.000 0.562 160 A N 0.451 123.054 122.820 -0.361 0.000 1.908 160 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 160 A C 2.461 179.875 177.584 -0.282 0.000 1.181 160 A CA 1.572 53.428 52.037 -0.301 0.000 0.627 160 A CB -0.388 18.405 19.000 -0.345 0.000 0.818 160 A HN 0.386 nan 8.150 nan 0.000 0.445 161 L N -1.210 119.813 121.223 -0.334 0.000 2.179 161 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 161 L C 3.006 179.628 176.870 -0.413 0.000 1.096 161 L CA 0.718 55.371 54.840 -0.312 0.000 0.779 161 L CB -0.639 41.279 42.059 -0.234 0.000 0.922 161 L HN 0.405 nan 8.230 nan 0.000 0.443 162 A N 0.622 123.103 122.820 -0.565 0.000 1.978 162 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 162 A C 2.145 179.516 177.584 -0.355 0.000 1.170 162 A CA 2.054 53.726 52.037 -0.609 0.000 0.636 162 A CB -0.787 17.706 19.000 -0.844 0.000 0.810 162 A HN 0.355 nan 8.150 nan 0.000 0.448 163 V N -4.140 115.629 119.914 -0.242 0.000 3.649 163 V HA 0.103 4.223 4.120 -0.000 0.000 0.275 163 V C 1.645 177.664 176.094 -0.124 0.000 1.281 163 V CA 0.811 63.014 62.300 -0.163 0.000 1.143 163 V CB -0.377 31.374 31.823 -0.120 0.000 0.892 163 V HN 0.195 nan 8.190 nan 0.000 0.441 164 K N 1.707 122.032 120.400 -0.125 0.000 2.009 164 K HA -0.022 4.298 4.320 -0.000 0.000 0.210 164 K C 0.259 176.850 176.600 -0.015 0.000 1.049 164 K CA 2.014 58.266 56.287 -0.059 0.000 0.929 164 K CB -1.970 30.526 32.500 -0.006 0.000 0.714 164 K HN 0.445 nan 8.250 nan 0.000 0.440 165 P HA -0.153 nan 4.420 nan 0.000 0.216 165 P C 1.457 178.751 177.300 -0.009 0.000 1.150 165 P CA 1.847 64.967 63.100 0.034 0.000 0.843 165 P CB -0.097 31.640 31.700 0.061 0.000 0.787 166 S N -1.689 113.986 115.700 -0.041 0.000 2.447 166 S HA 0.032 4.501 4.470 -0.000 0.000 0.233 166 S C 1.912 176.482 174.600 -0.050 0.000 1.006 166 S CA 1.099 59.267 58.200 -0.053 0.000 0.957 166 S CB -1.485 61.666 63.200 -0.082 0.000 0.773 166 S HN 0.315 nan 8.310 nan 0.000 0.507 167 G N 0.662 109.433 108.800 -0.047 0.000 2.212 167 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.266 167 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.266 167 G C 0.030 174.897 174.900 -0.056 0.000 0.978 167 G CA 0.591 45.664 45.100 -0.044 0.000 0.632 167 G HN 0.590 nan 8.290 nan 0.000 0.537 168 L N 1.647 122.826 121.223 -0.073 0.000 2.418 168 L HA 0.555 4.895 4.340 -0.000 0.000 0.265 168 L C 1.530 178.349 176.870 -0.085 0.000 1.143 168 L CA -0.177 54.611 54.840 -0.086 0.000 0.809 168 L CB 1.214 43.204 42.059 -0.115 0.000 1.124 168 L HN 0.404 nan 8.230 nan 0.000 0.456 169 S N 0.533 116.187 115.700 -0.077 0.000 2.589 169 S HA 0.028 4.498 4.470 -0.000 0.000 0.265 169 S C 0.836 175.398 174.600 -0.063 0.000 1.342 169 S CA -0.369 57.800 58.200 -0.052 0.000 1.005 169 S CB 0.443 63.619 63.200 -0.040 0.000 0.909 169 S HN 0.546 nan 8.310 nan 0.000 0.555 170 F N 1.252 121.110 119.950 -0.154 0.000 2.126 170 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 170 F C 2.460 178.144 175.800 -0.194 0.000 1.096 170 F CA 2.196 60.087 58.000 -0.181 0.000 1.255 170 F CB -0.453 38.438 39.000 -0.182 0.000 0.997 170 F HN 0.940 nan 8.300 nan 0.000 0.479 171 E N -0.566 119.571 120.200 -0.106 0.000 2.077 171 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 171 E C 2.143 178.573 176.600 -0.284 0.000 0.989 171 E CA 1.282 57.566 56.400 -0.194 0.000 0.800 171 E CB -0.105 29.579 29.700 -0.027 0.000 0.746 171 E HN 0.379 nan 8.360 nan 0.000 0.452 172 Q N -0.017 119.660 119.800 -0.205 0.000 2.119 172 Q HA -0.067 4.273 4.340 -0.000 0.000 0.201 172 Q C 2.082 177.918 176.000 -0.273 0.000 0.972 172 Q CA 1.344 57.030 55.803 -0.195 0.000 0.847 172 Q CB -0.396 28.268 28.738 -0.123 0.000 0.903 172 Q HN 0.391 nan 8.270 nan 0.000 0.433 173 A N 0.561 123.187 122.820 -0.325 0.000 1.877 173 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 173 A C 2.158 179.455 177.584 -0.478 0.000 1.186 173 A CA 1.899 53.724 52.037 -0.354 0.000 0.620 173 A CB -0.481 18.301 19.000 -0.362 0.000 0.822 173 A HN 0.349 nan 8.150 nan 0.000 0.443 174 M N -0.034 119.138 119.600 -0.713 0.000 2.067 174 M HA -0.196 4.283 4.480 -0.000 0.000 0.260 174 M C 2.212 177.940 176.300 -0.954 0.000 1.069 174 M CA 2.093 56.836 55.300 -0.928 0.000 1.117 174 M CB -0.606 31.255 32.600 -1.232 0.000 1.334 174 M HN 0.538 nan 8.290 nan 0.000 0.407 175 Q N -0.934 118.414 119.800 -0.753 0.000 2.002 175 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 175 Q C 2.007 177.833 176.000 -0.289 0.000 0.988 175 Q CA 2.458 57.977 55.803 -0.472 0.000 0.843 175 Q CB -0.868 27.701 28.738 -0.281 0.000 0.908 175 Q HN 0.768 nan 8.270 nan 0.000 0.420 176 T N -1.187 113.218 114.554 -0.248 0.000 2.867 176 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 176 T C 1.760 176.373 174.700 -0.145 0.000 1.057 176 T CA 0.920 62.922 62.100 -0.164 0.000 1.136 176 T CB -0.061 68.725 68.868 -0.136 0.000 0.874 176 T HN 0.176 nan 8.240 nan 0.000 0.466 177 R N -0.109 120.276 120.500 -0.191 0.000 2.265 177 R HA 0.365 4.705 4.340 -0.000 0.000 0.194 177 R C 1.682 177.928 176.300 -0.089 0.000 0.931 177 R CA 0.283 56.302 56.100 -0.135 0.000 1.032 177 R CB 0.341 30.550 30.300 -0.151 0.000 0.980 177 R HN 0.317 nan 8.270 nan 0.000 0.497 178 V N -0.980 118.850 119.914 -0.140 0.000 3.054 178 V HA 0.021 4.141 4.120 -0.000 0.000 0.227 178 V C 1.381 177.560 176.094 0.142 0.000 1.252 178 V CA 0.467 62.770 62.300 0.004 0.000 1.279 178 V CB -0.299 31.493 31.823 -0.052 0.000 1.118 178 V HN -0.029 nan 8.190 nan 0.000 0.504 179 F N 1.588 121.457 119.950 -0.136 0.000 2.075 179 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 179 F C 2.622 178.330 175.800 -0.152 0.000 1.113 179 F CA 1.469 59.352 58.000 -0.195 0.000 1.218 179 F CB -1.297 37.473 39.000 -0.383 0.000 0.984 179 F HN 0.199 nan 8.300 nan 0.000 0.472 180 Q N -0.189 119.632 119.800 0.035 0.000 2.050 180 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 180 Q C -0.321 175.680 176.000 0.001 0.000 0.980 180 Q CA 1.696 57.484 55.803 -0.024 0.000 0.840 180 Q CB -1.551 27.150 28.738 -0.062 0.000 0.898 180 Q HN 0.284 nan 8.270 nan 0.000 0.424 181 P HA -0.150 nan 4.420 nan 0.000 0.218 181 P C 0.677 178.007 177.300 0.050 0.000 1.148 181 P CA 1.198 64.313 63.100 0.025 0.000 0.822 181 P CB 0.054 31.771 31.700 0.028 0.000 0.784 182 L N -2.176 119.104 121.223 0.094 0.000 2.592 182 L HA 0.157 4.496 4.340 -0.000 0.000 0.227 182 L C 0.293 177.211 176.870 0.080 0.000 1.127 182 L CA -0.004 54.907 54.840 0.119 0.000 0.884 182 L CB -0.562 41.642 42.059 0.241 0.000 1.065 182 L HN -0.123 nan 8.230 nan 0.000 0.457 183 K N 0.438 120.858 120.400 0.034 0.000 3.129 183 K HA -0.158 4.162 4.320 -0.000 0.000 0.273 183 K C -0.298 176.285 176.600 -0.027 0.000 1.123 183 K CA 0.622 56.906 56.287 -0.005 0.000 0.800 183 K CB -1.860 30.645 32.500 0.008 0.000 1.238 183 K HN 0.256 nan 8.250 nan 0.000 0.492 184 L N 0.890 122.081 121.223 -0.054 0.000 2.387 184 L HA 0.141 4.481 4.340 -0.000 0.000 0.267 184 L C 0.908 177.596 176.870 -0.302 0.000 1.197 184 L CA -0.421 54.327 54.840 -0.153 0.000 1.070 184 L CB 0.165 42.074 42.059 -0.250 0.000 1.349 184 L HN 0.164 nan 8.230 nan 0.000 0.422 185 N N 0.463 119.010 118.700 -0.256 0.000 2.521 185 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 185 N C 0.609 175.707 175.510 -0.687 0.000 1.146 185 N CA 0.723 53.513 53.050 -0.433 0.000 0.893 185 N CB 0.178 38.443 38.487 -0.371 0.000 0.975 185 N HN 0.536 nan 8.380 nan 0.000 0.451 186 H N -0.802 118.149 119.070 -0.198 0.000 2.651 186 H HA 0.258 4.814 4.556 -0.000 0.000 0.241 186 H C -0.362 174.834 175.328 -0.218 0.000 1.225 186 H CA -0.112 55.890 56.048 -0.076 0.000 0.942 186 H CB 0.391 30.147 29.762 -0.011 0.000 1.996 186 H HN -0.134 nan 8.280 nan 0.000 0.600 187 T N 0.863 115.063 114.554 -0.591 0.000 2.812 187 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 187 T C -0.716 173.300 174.700 -1.141 0.000 0.990 187 T CA -0.430 61.154 62.100 -0.861 0.000 0.960 187 T CB 1.477 69.555 68.868 -1.316 0.000 0.948 187 T HN 0.244 nan 8.240 nan 0.000 0.438 188 W N 1.640 122.636 121.300 -0.508 0.000 3.107 188 W HA 0.557 5.217 4.660 -0.000 0.000 0.331 188 W C 0.549 176.960 176.519 -0.179 0.000 1.204 188 W CA -0.781 56.413 57.345 -0.252 0.000 1.184 188 W CB 1.214 30.526 29.460 -0.248 0.000 1.421 188 W HN 0.495 nan 8.180 nan 0.000 0.544 189 I N 1.403 122.106 120.570 0.222 0.000 2.731 189 I HA 0.005 4.175 4.170 -0.000 0.000 0.260 189 I C 0.247 176.395 176.117 0.052 0.000 1.138 189 I CA 0.753 62.111 61.300 0.096 0.000 1.461 189 I CB 0.056 38.118 38.000 0.104 0.000 1.128 189 I HN 0.255 nan 8.210 nan 0.000 0.438 190 N N 1.237 120.004 118.700 0.112 0.000 2.524 190 N HA 0.244 4.984 4.740 -0.000 0.000 0.261 190 N C -0.882 174.545 175.510 -0.139 0.000 0.998 190 N CA -0.210 52.833 53.050 -0.012 0.000 0.915 190 N CB 2.509 40.996 38.487 -0.001 0.000 1.187 190 N HN -0.210 nan 8.380 nan 0.000 0.507 191 V N 4.787 124.533 119.914 -0.281 0.000 2.485 191 V HA 0.111 4.231 4.120 -0.000 0.000 0.287 191 V C -1.413 174.360 176.094 -0.536 0.000 1.022 191 V CA -0.733 61.260 62.300 -0.512 0.000 1.067 191 V CB 0.229 31.718 31.823 -0.556 0.000 0.967 191 V HN 0.506 nan 8.190 nan 0.000 0.479 192 P HA 0.295 nan 4.420 nan 0.000 0.276 192 P C -2.312 174.764 177.300 -0.373 0.000 1.261 192 P CA -1.872 60.864 63.100 -0.606 0.000 0.800 192 P CB 0.557 31.749 31.700 -0.846 0.000 1.066 193 P HA -0.230 nan 4.420 nan 0.000 0.216 193 P C 1.511 178.730 177.300 -0.136 0.000 1.157 193 P CA 2.546 65.556 63.100 -0.150 0.000 0.880 193 P CB -0.526 31.107 31.700 -0.112 0.000 0.791 194 A N -0.499 122.229 122.820 -0.154 0.000 2.070 194 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 194 A C 2.013 179.541 177.584 -0.093 0.000 1.159 194 A CA 1.471 53.446 52.037 -0.102 0.000 0.656 194 A CB -0.781 18.169 19.000 -0.082 0.000 0.800 194 A HN 0.125 nan 8.150 nan 0.000 0.453 195 E N -0.579 119.522 120.200 -0.165 0.000 2.472 195 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 195 E C 1.428 177.975 176.600 -0.090 0.000 1.033 195 E CA 0.159 56.483 56.400 -0.127 0.000 0.886 195 E CB -0.024 29.540 29.700 -0.227 0.000 0.944 195 E HN 0.747 nan 8.360 nan 0.000 0.492 196 E N 1.301 121.449 120.200 -0.085 0.000 2.130 196 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 196 E C 1.911 178.512 176.600 0.003 0.000 0.998 196 E CA 1.668 58.057 56.400 -0.018 0.000 0.806 196 E CB -0.032 29.651 29.700 -0.027 0.000 0.738 196 E HN 0.242 nan 8.360 nan 0.000 0.459 197 K N 0.082 120.479 120.400 -0.005 0.000 2.283 197 K HA -0.053 4.266 4.320 -0.000 0.000 0.202 197 K C 1.275 177.883 176.600 0.013 0.000 1.048 197 K CA 1.236 57.528 56.287 0.008 0.000 0.948 197 K CB 0.092 32.596 32.500 0.008 0.000 0.742 197 K HN -0.011 nan 8.250 nan 0.000 0.458 198 N N -0.082 118.624 118.700 0.011 0.000 2.299 198 N HA -0.064 4.676 4.740 -0.000 0.000 0.187 198 N C -0.639 174.893 175.510 0.037 0.000 1.099 198 N CA 0.106 53.162 53.050 0.011 0.000 0.867 198 N CB 0.153 38.634 38.487 -0.009 0.000 0.974 198 N HN 0.177 nan 8.380 nan 0.000 0.477 199 Y N 3.080 123.294 120.300 -0.144 0.000 2.539 199 Y HA 0.384 4.934 4.550 -0.000 0.000 0.352 199 Y C 0.232 176.027 175.900 -0.175 0.000 1.004 199 Y CA -1.756 56.224 58.100 -0.200 0.000 1.278 199 Y CB -0.623 37.661 38.460 -0.292 0.000 1.136 199 Y HN -0.046 nan 8.280 nan 0.000 0.528 200 A N 6.073 128.961 122.820 0.113 0.000 2.466 200 A HA 0.144 4.464 4.320 -0.000 0.000 0.238 200 A C -0.504 177.121 177.584 0.069 0.000 1.074 200 A CA -0.323 51.743 52.037 0.048 0.000 0.774 200 A CB 0.160 19.140 19.000 -0.035 0.000 1.015 200 A HN 0.882 nan 8.150 nan 0.000 0.498 201 W N 0.304 121.614 121.300 0.016 0.000 2.313 201 W HA 0.489 5.148 4.660 -0.000 0.000 0.328 201 W C 0.865 177.096 176.519 -0.479 0.000 1.197 201 W CA 0.414 57.574 57.345 -0.308 0.000 1.235 201 W CB 1.191 30.328 29.460 -0.540 0.000 1.158 201 W HN 0.922 nan 8.180 nan 0.000 0.578 202 G N 1.055 109.691 108.800 -0.273 0.000 2.437 202 G HA2 0.530 4.490 3.960 -0.000 0.000 0.319 202 G HA3 0.530 4.490 3.960 -0.000 0.000 0.319 202 G C -2.228 172.234 174.900 -0.731 0.000 1.158 202 G CA -0.509 44.103 45.100 -0.813 0.000 0.899 202 G HN 0.395 nan 8.290 nan 0.000 0.502 203 Y N -0.245 119.967 120.300 -0.148 0.000 2.326 203 Y HA 0.513 5.063 4.550 -0.000 0.000 0.329 203 Y C 0.448 176.336 175.900 -0.020 0.000 0.973 203 Y CA -0.782 57.286 58.100 -0.054 0.000 1.162 203 Y CB 2.187 40.623 38.460 -0.039 0.000 1.147 203 Y HN 0.479 nan 8.280 nan 0.000 0.456 204 R N 2.972 123.520 120.500 0.079 0.000 2.388 204 R HA 0.316 4.656 4.340 -0.000 0.000 0.314 204 R C -0.688 175.653 176.300 0.069 0.000 0.959 204 R CA -0.354 55.789 56.100 0.072 0.000 0.851 204 R CB 0.467 30.796 30.300 0.049 0.000 1.168 204 R HN 0.884 nan 8.270 nan 0.000 0.472 205 E N 2.882 123.125 120.200 0.071 0.000 2.252 205 E HA -0.262 4.088 4.350 -0.000 0.000 0.218 205 E C 0.590 177.222 176.600 0.054 0.000 1.253 205 E CA 0.730 57.161 56.400 0.051 0.000 0.705 205 E CB -1.104 28.616 29.700 0.034 0.000 1.172 205 E HN 1.189 nan 8.360 nan 0.000 0.369 206 G N -1.654 107.198 108.800 0.087 0.000 2.212 206 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.266 206 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.266 206 G C 0.385 175.365 174.900 0.133 0.000 0.978 206 G CA 1.030 46.182 45.100 0.088 0.000 0.632 206 G HN 0.806 nan 8.290 nan 0.000 0.537 207 K N -0.069 120.387 120.400 0.093 0.000 2.130 207 K HA 0.944 5.263 4.320 -0.000 0.000 0.268 207 K C 0.305 176.850 176.600 -0.092 0.000 0.983 207 K CA 0.414 56.702 56.287 0.001 0.000 0.893 207 K CB 1.346 33.820 32.500 -0.043 0.000 1.066 207 K HN 1.893 nan 8.250 nan 0.000 0.450 208 A N 1.354 123.999 122.820 -0.292 0.000 2.409 208 A HA 0.567 4.886 4.320 -0.000 0.000 0.267 208 A C 0.295 177.618 177.584 -0.434 0.000 1.127 208 A CA 0.162 51.791 52.037 -0.679 0.000 0.795 208 A CB -0.589 17.756 19.000 -1.093 0.000 1.061 208 A HN 1.755 nan 8.150 nan 0.000 0.502 209 V N 0.935 120.742 119.914 -0.178 0.000 3.007 209 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 209 V C -0.662 175.594 176.094 0.271 0.000 1.120 209 V CA -0.829 61.514 62.300 0.072 0.000 0.980 209 V CB 1.381 33.240 31.823 0.061 0.000 1.033 209 V HN 0.946 nan 8.190 nan 0.000 0.429 210 H N 0.317 119.553 119.070 0.277 0.000 2.690 210 H HA 0.648 5.203 4.556 -0.000 0.000 0.368 210 H C -0.539 174.901 175.328 0.186 0.000 1.150 210 H CA -0.996 55.157 56.048 0.174 0.000 1.174 210 H CB 2.321 32.055 29.762 -0.046 0.000 1.684 210 H HN 0.798 nan 8.280 nan 0.000 0.538 211 V N 3.297 123.407 119.914 0.326 0.000 2.694 211 V HA -0.021 4.099 4.120 -0.000 0.000 0.306 211 V C -0.044 176.176 176.094 0.210 0.000 1.054 211 V CA 0.312 62.758 62.300 0.242 0.000 1.161 211 V CB 0.405 32.372 31.823 0.240 0.000 0.916 211 V HN 0.853 nan 8.190 nan 0.000 0.490 212 S N 6.848 122.654 115.700 0.177 0.000 2.672 212 S HA 0.670 5.139 4.470 -0.000 0.000 0.276 212 S C -2.546 172.149 174.600 0.158 0.000 1.207 212 S CA -1.306 56.983 58.200 0.148 0.000 1.002 212 S CB 0.961 64.229 63.200 0.114 0.000 0.998 212 S HN 0.759 nan 8.310 nan 0.000 0.542 213 P HA 0.487 nan 4.420 nan 0.000 0.267 213 P C -0.037 177.324 177.300 0.101 0.000 1.200 213 P CA 0.062 63.215 63.100 0.088 0.000 0.772 213 P CB 0.227 31.958 31.700 0.053 0.000 0.855 214 G N -0.036 108.816 108.800 0.086 0.000 2.632 214 G HA2 0.542 4.502 3.960 -0.000 0.000 0.292 214 G HA3 0.542 4.502 3.960 -0.000 0.000 0.292 214 G C -1.421 173.490 174.900 0.018 0.000 1.465 214 G CA -0.434 44.723 45.100 0.094 0.000 0.824 214 G HN 0.531 nan 8.290 nan 0.000 0.509 215 A N 0.580 123.399 122.820 -0.001 0.000 2.511 215 A HA 0.556 4.876 4.320 -0.000 0.000 0.242 215 A C 1.426 178.969 177.584 -0.068 0.000 1.069 215 A CA 0.584 52.599 52.037 -0.037 0.000 0.763 215 A CB -0.376 18.603 19.000 -0.035 0.000 1.001 215 A HN 1.792 nan 8.150 nan 0.000 0.498 216 L N 0.374 121.521 121.223 -0.128 0.000 4.232 216 L HA -0.319 4.020 4.340 -0.000 0.000 0.415 216 L C 1.164 177.811 176.870 -0.371 0.000 1.168 216 L CA 0.671 55.383 54.840 -0.212 0.000 0.966 216 L CB -1.847 40.150 42.059 -0.103 0.000 2.052 216 L HN 0.996 nan 8.230 nan 0.000 0.887 217 D N 0.304 120.443 120.400 -0.435 0.000 2.117 217 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 217 D C 1.974 177.846 176.300 -0.715 0.000 0.987 217 D CA 1.445 54.896 54.000 -0.914 0.000 0.829 217 D CB -0.129 40.346 40.800 -0.542 0.000 0.961 217 D HN 0.444 nan 8.370 nan 0.000 0.460 218 A N 0.877 123.454 122.820 -0.404 0.000 1.883 218 A HA -0.234 4.085 4.320 -0.000 0.000 0.217 218 A C 2.120 179.490 177.584 -0.355 0.000 1.186 218 A CA 2.041 53.926 52.037 -0.253 0.000 0.624 218 A CB -0.731 18.209 19.000 -0.101 0.000 0.822 218 A HN 0.222 nan 8.150 nan 0.000 0.444 219 E N -0.455 119.331 120.200 -0.690 0.000 2.208 219 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 219 E C 1.904 178.316 176.600 -0.314 0.000 0.988 219 E CA 1.156 57.062 56.400 -0.822 0.000 0.828 219 E CB -0.209 28.931 29.700 -0.933 0.000 0.763 219 E HN 0.606 nan 8.360 nan 0.000 0.478 220 A N -0.354 122.294 122.820 -0.287 0.000 2.055 220 A HA 0.104 4.424 4.320 -0.000 0.000 0.205 220 A C 0.778 178.418 177.584 0.094 0.000 1.235 220 A CA 0.486 52.484 52.037 -0.065 0.000 0.822 220 A CB 0.034 19.052 19.000 0.030 0.000 0.903 220 A HN 0.387 nan 8.150 nan 0.000 0.473 221 Y N -3.916 116.403 120.300 0.033 0.000 2.926 221 Y HA 0.488 5.038 4.550 -0.000 0.000 0.258 221 Y C 0.967 176.892 175.900 0.042 0.000 1.110 221 Y CA -0.507 57.630 58.100 0.062 0.000 1.224 221 Y CB -0.459 38.045 38.460 0.073 0.000 1.276 221 Y HN -0.011 nan 8.280 nan 0.000 0.595 222 G N 0.694 109.451 108.800 -0.070 0.000 2.985 222 G HA2 0.258 4.218 3.960 -0.000 0.000 0.209 222 G HA3 0.258 4.218 3.960 -0.000 0.000 0.209 222 G C 0.019 174.907 174.900 -0.020 0.000 1.165 222 G CA 0.225 45.294 45.100 -0.052 0.000 0.776 222 G HN 0.136 nan 8.290 nan 0.000 0.541 223 V N 0.478 120.383 119.914 -0.016 0.000 2.649 223 V HA 0.403 4.523 4.120 -0.000 0.000 0.292 223 V C -0.236 175.771 176.094 -0.146 0.000 1.055 223 V CA -0.326 61.906 62.300 -0.113 0.000 1.023 223 V CB 1.396 33.069 31.823 -0.249 0.000 0.992 223 V HN 0.136 nan 8.190 nan 0.000 0.480 224 K N 2.402 122.668 120.400 -0.224 0.000 2.324 224 K HA 0.781 5.101 4.320 -0.000 0.000 0.253 224 K C -0.575 175.883 176.600 -0.236 0.000 0.932 224 K CA -0.167 55.968 56.287 -0.254 0.000 0.799 224 K CB 2.063 34.294 32.500 -0.448 0.000 1.154 224 K HN 0.732 nan 8.250 nan 0.000 0.425 225 S N 0.313 115.943 115.700 -0.116 0.000 2.625 225 S HA 0.621 5.091 4.470 -0.000 0.000 0.271 225 S C -1.272 173.394 174.600 0.111 0.000 1.161 225 S CA -0.702 57.449 58.200 -0.082 0.000 0.820 225 S CB 1.027 64.140 63.200 -0.145 0.000 1.137 225 S HN 0.660 nan 8.310 nan 0.000 0.470 226 T N 0.088 114.709 114.554 0.111 0.000 2.944 226 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 226 T C 1.447 176.265 174.700 0.197 0.000 1.010 226 T CA -0.464 61.750 62.100 0.190 0.000 1.025 226 T CB 0.577 69.492 68.868 0.078 0.000 1.079 226 T HN 0.561 nan 8.240 nan 0.000 0.516 227 I N -0.620 120.084 120.570 0.224 0.000 2.756 227 I HA 0.101 4.271 4.170 -0.000 0.000 0.262 227 I C 2.268 178.530 176.117 0.241 0.000 1.225 227 I CA 0.877 62.320 61.300 0.238 0.000 1.472 227 I CB -0.999 37.184 38.000 0.305 0.000 1.094 227 I HN 0.843 nan 8.210 nan 0.000 0.454 228 E N 1.401 121.637 120.200 0.060 0.000 2.028 228 E HA -0.220 4.130 4.350 -0.000 0.000 0.190 228 E C 1.557 178.241 176.600 0.141 0.000 0.984 228 E CA 1.319 57.723 56.400 0.007 0.000 0.800 228 E CB 0.035 29.632 29.700 -0.171 0.000 0.758 228 E HN 0.443 nan 8.360 nan 0.000 0.448 229 D N -0.023 120.442 120.400 0.109 0.000 2.144 229 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 229 D C 1.822 178.245 176.300 0.205 0.000 0.984 229 D CA 0.938 55.005 54.000 0.112 0.000 0.834 229 D CB -0.044 40.760 40.800 0.006 0.000 0.955 229 D HN 0.225 nan 8.370 nan 0.000 0.465 230 M N 0.230 119.971 119.600 0.234 0.000 2.229 230 M HA 0.010 4.489 4.480 -0.000 0.000 0.264 230 M C 2.207 178.701 176.300 0.322 0.000 1.063 230 M CA 0.633 56.131 55.300 0.330 0.000 1.114 230 M CB -1.007 31.769 32.600 0.294 0.000 1.387 230 M HN -0.022 nan 8.290 nan 0.000 0.420 231 A N 0.025 123.010 122.820 0.276 0.000 1.933 231 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 231 A C 2.378 180.045 177.584 0.139 0.000 1.175 231 A CA 1.342 53.499 52.037 0.200 0.000 0.628 231 A CB -0.544 18.605 19.000 0.248 0.000 0.814 231 A HN 0.421 nan 8.150 nan 0.000 0.444 232 R N -1.640 118.968 120.500 0.181 0.000 2.092 232 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 232 R C 2.154 178.562 176.300 0.181 0.000 1.119 232 R CA 1.303 57.487 56.100 0.141 0.000 0.970 232 R CB -0.365 30.026 30.300 0.151 0.000 0.864 232 R HN 0.872 nan 8.270 nan 0.000 0.440 233 W N 0.960 122.293 121.300 0.055 0.000 2.335 233 W HA -0.226 4.434 4.660 -0.000 0.000 0.311 233 W C 1.531 178.005 176.519 -0.074 0.000 1.213 233 W CA 1.193 58.568 57.345 0.050 0.000 1.274 233 W CB -0.040 29.500 29.460 0.134 0.000 1.148 233 W HN -0.113 nan 8.180 nan 0.000 0.498 234 V N 1.329 121.198 119.914 -0.075 0.000 2.343 234 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 234 V C 2.368 178.141 176.094 -0.535 0.000 1.051 234 V CA 2.304 64.347 62.300 -0.427 0.000 1.036 234 V CB -1.051 30.642 31.823 -0.218 0.000 0.654 234 V HN 0.267 nan 8.190 nan 0.000 0.451 235 Q N -0.225 119.407 119.800 -0.280 0.000 2.124 235 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 235 Q C 2.474 178.297 176.000 -0.296 0.000 0.977 235 Q CA 1.925 57.574 55.803 -0.256 0.000 0.850 235 Q CB -0.265 28.396 28.738 -0.129 0.000 0.901 235 Q HN 0.625 nan 8.270 nan 0.000 0.429 236 S N 0.984 116.521 115.700 -0.271 0.000 2.368 236 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 236 S C 1.566 175.917 174.600 -0.414 0.000 1.029 236 S CA 0.944 58.989 58.200 -0.258 0.000 0.988 236 S CB -0.204 62.907 63.200 -0.148 0.000 0.838 236 S HN 0.382 nan 8.310 nan 0.000 0.462 237 N N 1.201 119.485 118.700 -0.692 0.000 2.331 237 N HA 0.093 4.833 4.740 -0.000 0.000 0.180 237 N C 1.596 176.628 175.510 -0.796 0.000 1.019 237 N CA 0.587 53.140 53.050 -0.827 0.000 0.881 237 N CB -0.178 37.576 38.487 -1.222 0.000 0.972 237 N HN 0.339 nan 8.380 nan 0.000 0.435 238 L N 0.437 121.167 121.223 -0.822 0.000 2.109 238 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 238 L C 0.642 177.337 176.870 -0.292 0.000 1.086 238 L CA 1.109 55.627 54.840 -0.537 0.000 0.760 238 L CB 0.117 41.903 42.059 -0.455 0.000 0.910 238 L HN -0.074 nan 8.230 nan 0.000 0.437 239 K N -0.501 119.739 120.400 -0.267 0.000 2.954 239 K HA 0.194 4.513 4.320 -0.000 0.000 0.171 239 K C -1.880 174.629 176.600 -0.153 0.000 1.079 239 K CA -1.134 55.048 56.287 -0.175 0.000 0.908 239 K CB 1.284 33.697 32.500 -0.145 0.000 1.142 239 K HN -0.099 nan 8.250 nan 0.000 0.613 240 P HA -0.156 nan 4.420 nan 0.000 0.222 240 P C 1.002 178.258 177.300 -0.074 0.000 1.147 240 P CA 0.917 63.949 63.100 -0.114 0.000 0.790 240 P CB 0.277 31.914 31.700 -0.105 0.000 0.780 241 L N -0.473 120.708 121.223 -0.070 0.000 2.456 241 L HA -0.073 4.267 4.340 -0.000 0.000 0.224 241 L C 1.583 178.425 176.870 -0.047 0.000 1.148 241 L CA 1.020 55.829 54.840 -0.051 0.000 0.825 241 L CB -0.825 41.205 42.059 -0.049 0.000 0.937 241 L HN -0.099 nan 8.230 nan 0.000 0.450 242 D N -0.076 120.290 120.400 -0.057 0.000 2.347 242 D HA 0.137 4.777 4.640 -0.000 0.000 0.213 242 D C 0.843 177.121 176.300 -0.038 0.000 0.985 242 D CA 0.414 54.385 54.000 -0.048 0.000 0.879 242 D CB 0.239 41.004 40.800 -0.059 0.000 0.919 242 D HN 0.193 nan 8.370 nan 0.000 0.526 243 I N 1.547 122.095 120.570 -0.036 0.000 2.496 243 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 243 I C 1.343 177.452 176.117 -0.013 0.000 1.080 243 I CA -0.238 61.050 61.300 -0.020 0.000 1.404 243 I CB 0.875 38.866 38.000 -0.015 0.000 1.403 243 I HN -0.145 nan 8.210 nan 0.000 0.539 244 N N 3.957 122.652 118.700 -0.008 0.000 2.300 244 N HA -0.071 4.669 4.740 -0.000 0.000 0.179 244 N C 0.121 175.628 175.510 -0.005 0.000 1.016 244 N CA 0.752 53.797 53.050 -0.008 0.000 0.876 244 N CB 0.070 38.553 38.487 -0.008 0.000 0.979 244 N HN 0.563 nan 8.380 nan 0.000 0.432 245 E N 1.127 121.327 120.200 0.000 0.000 2.220 245 E HA 0.129 4.479 4.350 -0.000 0.000 0.272 245 E C 1.192 177.793 176.600 0.002 0.000 1.099 245 E CA 0.021 56.422 56.400 0.001 0.000 0.907 245 E CB 0.629 30.332 29.700 0.006 0.000 1.022 245 E HN 0.235 nan 8.360 nan 0.000 0.428 246 K N 2.398 122.797 120.400 -0.001 0.000 2.032 246 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 246 K C 2.043 178.647 176.600 0.005 0.000 1.048 246 K CA 2.311 58.598 56.287 -0.000 0.000 0.927 246 K CB -1.515 30.984 32.500 -0.002 0.000 0.712 246 K HN 0.681 nan 8.250 nan 0.000 0.441 247 T N -0.780 113.777 114.554 0.006 0.000 2.867 247 T HA -0.058 4.291 4.350 -0.000 0.000 0.268 247 T C 1.990 176.704 174.700 0.023 0.000 1.057 247 T CA 1.260 63.367 62.100 0.012 0.000 1.136 247 T CB -0.203 68.668 68.868 0.006 0.000 0.874 247 T HN 0.206 nan 8.240 nan 0.000 0.466 248 L N 1.434 122.672 121.223 0.024 0.000 2.093 248 L HA 0.053 4.393 4.340 -0.000 0.000 0.208 248 L C 2.810 179.704 176.870 0.039 0.000 1.085 248 L CA 1.863 56.730 54.840 0.044 0.000 0.755 248 L CB -1.022 41.067 42.059 0.051 0.000 0.904 248 L HN 0.465 nan 8.230 nan 0.000 0.435 249 Q N -0.851 118.960 119.800 0.018 0.000 2.030 249 Q HA -0.295 4.045 4.340 -0.000 0.000 0.204 249 Q C 2.157 178.162 176.000 0.008 0.000 0.986 249 Q CA 2.280 58.084 55.803 0.002 0.000 0.843 249 Q CB -0.251 28.482 28.738 -0.007 0.000 0.904 249 Q HN 0.648 nan 8.270 nan 0.000 0.420 250 Q N -0.217 119.593 119.800 0.016 0.000 2.084 250 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 250 Q C 2.126 178.154 176.000 0.048 0.000 0.978 250 Q CA 1.388 57.206 55.803 0.025 0.000 0.844 250 Q CB -0.399 28.353 28.738 0.024 0.000 0.898 250 Q HN 0.629 nan 8.270 nan 0.000 0.426 251 G N 0.848 109.684 108.800 0.060 0.000 2.440 251 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 251 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 251 G C 1.380 176.350 174.900 0.117 0.000 1.154 251 G CA 0.867 46.023 45.100 0.094 0.000 0.767 251 G HN 0.261 nan 8.290 nan 0.000 0.552 252 I N 0.417 121.038 120.570 0.084 0.000 2.252 252 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 252 I C 3.031 179.184 176.117 0.060 0.000 1.102 252 I CA 1.004 62.344 61.300 0.066 0.000 1.385 252 I CB -0.136 37.845 38.000 -0.031 0.000 1.064 252 I HN 0.202 nan 8.210 nan 0.000 0.414 253 Q N 0.442 120.262 119.800 0.034 0.000 2.079 253 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 253 Q C 2.418 178.456 176.000 0.063 0.000 0.974 253 Q CA 1.322 57.138 55.803 0.021 0.000 0.840 253 Q CB -0.282 28.457 28.738 0.001 0.000 0.898 253 Q HN 0.547 nan 8.270 nan 0.000 0.430 254 L N 0.328 121.612 121.223 0.102 0.000 2.083 254 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 254 L C 2.436 179.468 176.870 0.269 0.000 1.083 254 L CA 0.957 55.898 54.840 0.168 0.000 0.752 254 L CB -0.599 41.562 42.059 0.170 0.000 0.899 254 L HN 0.142 nan 8.230 nan 0.000 0.433 255 A N -0.862 122.112 122.820 0.257 0.000 2.066 255 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 255 A C 2.061 179.881 177.584 0.393 0.000 1.157 255 A CA 1.024 53.267 52.037 0.344 0.000 0.670 255 A CB -0.219 19.014 19.000 0.387 0.000 0.804 255 A HN 0.483 nan 8.150 nan 0.000 0.453 256 Q N -0.025 119.924 119.800 0.248 0.000 2.319 256 Q HA 0.168 4.508 4.340 -0.000 0.000 0.202 256 Q C -0.093 175.940 176.000 0.054 0.000 0.896 256 Q CA -0.273 55.613 55.803 0.138 0.000 0.942 256 Q CB 0.370 29.113 28.738 0.008 0.000 1.083 256 Q HN 0.504 nan 8.270 nan 0.000 0.510 257 S N 0.979 116.697 115.700 0.031 0.000 2.585 257 S HA 0.209 4.679 4.470 -0.000 0.000 0.273 257 S C 0.063 174.489 174.600 -0.290 0.000 1.339 257 S CA -0.147 57.925 58.200 -0.215 0.000 1.028 257 S CB 0.584 63.540 63.200 -0.406 0.000 0.906 257 S HN 0.218 nan 8.310 nan 0.000 0.528 258 R N 1.568 121.862 120.500 -0.343 0.000 2.204 258 R HA 0.235 4.574 4.340 -0.000 0.000 0.341 258 R C -0.293 175.818 176.300 -0.315 0.000 1.035 258 R CA -0.129 55.869 56.100 -0.169 0.000 0.887 258 R CB 0.332 30.518 30.300 -0.189 0.000 1.114 258 R HN 0.688 nan 8.270 nan 0.000 0.473 259 Y N 0.714 121.004 120.300 -0.017 0.000 2.389 259 Y HA 0.094 4.644 4.550 -0.000 0.000 0.292 259 Y C 0.219 175.767 175.900 -0.586 0.000 1.117 259 Y CA 0.490 58.406 58.100 -0.307 0.000 1.195 259 Y CB 0.434 38.717 38.460 -0.295 0.000 1.076 259 Y HN 0.452 nan 8.280 nan 0.000 0.548 260 W N -0.316 121.149 121.300 0.276 0.000 3.031 260 W HA 0.563 5.222 4.660 -0.000 0.000 0.337 260 W C -0.870 175.751 176.519 0.171 0.000 1.187 260 W CA -1.043 56.419 57.345 0.195 0.000 1.166 260 W CB 1.138 30.697 29.460 0.165 0.000 1.437 260 W HN -0.444 nan 8.180 nan 0.000 0.551 261 Q N 1.233 121.223 119.800 0.317 0.000 2.337 261 Q HA 0.641 4.981 4.340 -0.000 0.000 0.270 261 Q C -1.324 174.686 176.000 0.016 0.000 1.043 261 Q CA -0.466 55.344 55.803 0.012 0.000 0.794 261 Q CB 2.404 31.071 28.738 -0.119 0.000 1.281 261 Q HN 0.428 nan 8.270 nan 0.000 0.446 262 T N 2.849 117.362 114.554 -0.068 0.000 2.965 262 T HA 0.616 4.966 4.350 -0.000 0.000 0.306 262 T C 0.334 174.977 174.700 -0.095 0.000 0.991 262 T CA 0.760 62.831 62.100 -0.047 0.000 1.001 262 T CB 0.559 69.419 68.868 -0.012 0.000 0.984 262 T HN 1.090 nan 8.240 nan 0.000 0.446 263 G N 5.451 114.195 108.800 -0.094 0.000 2.561 263 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.289 263 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.289 263 G C 0.336 175.147 174.900 -0.149 0.000 1.169 263 G CA 0.735 45.777 45.100 -0.095 0.000 0.980 263 G HN 0.957 nan 8.290 nan 0.000 0.550 264 D N 0.197 120.521 120.400 -0.128 0.000 2.368 264 D HA 0.284 4.924 4.640 -0.000 0.000 0.218 264 D C 1.112 177.322 176.300 -0.150 0.000 1.112 264 D CA 0.283 54.203 54.000 -0.133 0.000 0.834 264 D CB 0.047 40.807 40.800 -0.068 0.000 0.953 264 D HN 0.577 nan 8.370 nan 0.000 0.505 265 M N 0.712 120.208 119.600 -0.173 0.000 2.423 265 M HA 0.417 4.897 4.480 -0.000 0.000 0.335 265 M C -1.646 174.530 176.300 -0.206 0.000 1.177 265 M CA -0.597 54.675 55.300 -0.047 0.000 1.038 265 M CB 1.574 34.215 32.600 0.069 0.000 1.641 265 M HN -0.174 nan 8.290 nan 0.000 0.455 266 Y N 1.647 122.061 120.300 0.190 0.000 2.425 266 Y HA 0.360 4.909 4.550 -0.000 0.000 0.344 266 Y C -0.485 175.577 175.900 0.270 0.000 0.969 266 Y CA -0.775 57.447 58.100 0.204 0.000 1.052 266 Y CB 1.759 40.305 38.460 0.144 0.000 1.215 266 Y HN 0.555 nan 8.280 nan 0.000 0.451 267 Q N 1.928 122.012 119.800 0.473 0.000 2.303 267 Q HA 0.583 4.923 4.340 -0.000 0.000 0.257 267 Q C -0.048 176.252 176.000 0.500 0.000 0.941 267 Q CA -0.210 55.876 55.803 0.471 0.000 0.931 267 Q CB 1.221 30.256 28.738 0.495 0.000 1.215 267 Q HN 0.892 nan 8.270 nan 0.000 0.437 268 G N 2.797 111.864 108.800 0.446 0.000 2.782 268 G HA2 0.487 4.447 3.960 -0.000 0.000 0.201 268 G HA3 0.487 4.447 3.960 -0.000 0.000 0.201 268 G C -0.935 174.142 174.900 0.295 0.000 1.374 268 G CA -0.817 44.573 45.100 0.482 0.000 1.039 268 G HN 0.589 nan 8.290 nan 0.000 0.576 269 L N 1.118 122.480 121.223 0.231 0.000 2.270 269 L HA 0.453 4.793 4.340 -0.000 0.000 0.286 269 L C 1.365 178.272 176.870 0.061 0.000 1.059 269 L CA 0.450 55.286 54.840 -0.005 0.000 0.839 269 L CB 0.572 42.617 42.059 -0.024 0.000 1.221 269 L HN 1.041 nan 8.230 nan 0.000 0.431 270 G N 2.195 110.999 108.800 0.007 0.000 4.039 270 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G C 0.026 174.962 174.900 0.061 0.000 1.391 270 G CA -0.193 44.910 45.100 0.005 0.000 0.920 270 G HN 0.516 nan 8.290 nan 0.000 0.599 271 W N 2.380 123.804 121.300 0.207 0.000 2.158 271 W HA 0.565 5.225 4.660 -0.000 0.000 0.339 271 W C 0.833 177.491 176.519 0.231 0.000 1.294 271 W CA -0.164 57.297 57.345 0.194 0.000 1.231 271 W CB 0.419 29.967 29.460 0.148 0.000 1.143 271 W HN 0.319 nan 8.180 nan 0.000 0.571 272 E N 1.740 122.279 120.200 0.566 0.000 2.227 272 E HA 0.553 4.903 4.350 -0.000 0.000 0.268 272 E C -0.791 176.117 176.600 0.513 0.000 0.907 272 E CA -1.104 55.596 56.400 0.500 0.000 0.786 272 E CB 1.699 31.669 29.700 0.449 0.000 1.191 272 E HN 0.174 nan 8.360 nan 0.000 0.411 273 M N 1.873 121.730 119.600 0.429 0.000 2.572 273 M HA 0.508 4.987 4.480 -0.000 0.000 0.299 273 M C -1.544 174.995 176.300 0.399 0.000 1.205 273 M CA -0.417 55.079 55.300 0.326 0.000 0.876 273 M CB 1.735 34.450 32.600 0.191 0.000 1.728 273 M HN 0.297 nan 8.290 nan 0.000 0.458 274 L N 0.409 121.829 121.223 0.328 0.000 2.434 274 L HA 0.533 4.873 4.340 -0.000 0.000 0.260 274 L C -0.882 176.153 176.870 0.275 0.000 0.983 274 L CA -0.696 54.339 54.840 0.325 0.000 0.820 274 L CB 2.010 44.170 42.059 0.169 0.000 1.361 274 L HN 0.560 nan 8.230 nan 0.000 0.410 275 D N 0.856 121.405 120.400 0.248 0.000 2.399 275 D HA -0.011 4.629 4.640 -0.000 0.000 0.241 275 D C -0.916 175.508 176.300 0.207 0.000 1.133 275 D CA 0.203 54.310 54.000 0.178 0.000 0.890 275 D CB 1.201 42.074 40.800 0.122 0.000 1.201 275 D HN 0.367 nan 8.370 nan 0.000 0.432 276 W N 4.140 125.492 121.300 0.087 0.000 2.469 276 W HA 0.287 4.947 4.660 -0.000 0.000 0.320 276 W C -2.319 174.250 176.519 0.082 0.000 1.086 276 W CA -1.829 55.586 57.345 0.117 0.000 1.211 276 W CB 1.111 30.659 29.460 0.147 0.000 1.298 276 W HN 0.231 nan 8.180 nan 0.000 0.525 277 P HA 0.134 nan 4.420 nan 0.000 0.272 277 P C -0.432 176.493 177.300 -0.625 0.000 1.223 277 P CA 0.043 62.257 63.100 -1.478 0.000 0.784 277 P CB 1.592 32.639 31.700 -1.088 0.000 0.923 278 V N -1.005 118.571 119.914 -0.565 0.000 2.975 278 V HA 0.537 4.657 4.120 -0.000 0.000 0.318 278 V C 0.071 175.873 176.094 -0.488 0.000 1.077 278 V CA -1.100 60.985 62.300 -0.358 0.000 1.000 278 V CB 1.579 33.204 31.823 -0.330 0.000 1.066 278 V HN 0.598 nan 8.190 nan 0.000 0.452 279 N N 3.069 121.510 118.700 -0.431 0.000 2.414 279 N HA 0.393 5.133 4.740 -0.000 0.000 0.256 279 N C -1.584 173.544 175.510 -0.637 0.000 1.029 279 N CA -2.059 50.718 53.050 -0.456 0.000 0.948 279 N CB 1.849 40.158 38.487 -0.296 0.000 1.102 279 N HN 0.552 nan 8.380 nan 0.000 0.496 280 P HA -0.086 nan 4.420 nan 0.000 0.218 280 P C 0.434 177.380 177.300 -0.590 0.000 1.149 280 P CA 0.978 63.427 63.100 -1.084 0.000 0.817 280 P CB 0.559 31.210 31.700 -1.748 0.000 0.785 281 D N -0.282 119.862 120.400 -0.426 0.000 2.149 281 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 281 D C 2.164 178.331 176.300 -0.221 0.000 0.990 281 D CA 1.165 55.005 54.000 -0.267 0.000 0.839 281 D CB -0.521 40.158 40.800 -0.203 0.000 0.948 281 D HN 0.154 nan 8.370 nan 0.000 0.460 282 S N 0.418 115.971 115.700 -0.244 0.000 2.355 282 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 282 S C 2.192 176.700 174.600 -0.154 0.000 1.031 282 S CA 0.952 59.043 58.200 -0.181 0.000 0.993 282 S CB -0.179 62.910 63.200 -0.185 0.000 0.859 282 S HN 0.392 nan 8.310 nan 0.000 0.453 283 I N -1.024 119.408 120.570 -0.229 0.000 2.406 283 I HA 0.012 4.181 4.170 -0.000 0.000 0.249 283 I C 2.069 178.149 176.117 -0.061 0.000 1.122 283 I CA 1.106 62.332 61.300 -0.124 0.000 1.431 283 I CB -0.601 37.228 38.000 -0.284 0.000 1.087 283 I HN 0.231 nan 8.210 nan 0.000 0.424 284 I N 2.098 122.581 120.570 -0.144 0.000 2.163 284 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 284 I C 2.360 178.430 176.117 -0.077 0.000 1.081 284 I CA 1.514 62.754 61.300 -0.100 0.000 1.353 284 I CB -0.730 37.194 38.000 -0.126 0.000 1.054 284 I HN 0.304 nan 8.210 nan 0.000 0.407 285 N N 1.238 119.884 118.700 -0.090 0.000 2.142 285 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 285 N C 1.930 177.408 175.510 -0.054 0.000 1.023 285 N CA 1.558 54.566 53.050 -0.070 0.000 0.852 285 N CB -0.749 37.692 38.487 -0.076 0.000 0.998 285 N HN 0.405 nan 8.380 nan 0.000 0.424 286 G N 0.537 109.309 108.800 -0.046 0.000 2.479 286 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 286 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 286 G C 1.586 176.478 174.900 -0.013 0.000 1.115 286 G CA 1.314 46.401 45.100 -0.022 0.000 0.757 286 G HN 0.509 nan 8.290 nan 0.000 0.560 287 S N -0.511 115.181 115.700 -0.013 0.000 2.527 287 S HA 0.027 4.496 4.470 -0.000 0.000 0.222 287 S C 0.779 175.337 174.600 -0.071 0.000 0.985 287 S CA 0.011 58.191 58.200 -0.033 0.000 0.921 287 S CB 0.005 63.188 63.200 -0.029 0.000 0.772 287 S HN 0.331 nan 8.310 nan 0.000 0.529 288 D N 1.887 122.250 120.400 -0.061 0.000 2.455 288 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 288 D C 0.357 176.615 176.300 -0.071 0.000 1.138 288 D CA 0.017 53.980 54.000 -0.061 0.000 0.877 288 D CB 0.540 41.311 40.800 -0.048 0.000 1.187 288 D HN 0.080 nan 8.370 nan 0.000 0.451 289 N N 2.941 121.597 118.700 -0.073 0.000 2.348 289 N HA -0.195 4.544 4.740 -0.000 0.000 0.185 289 N C 1.600 177.076 175.510 -0.057 0.000 1.019 289 N CA 0.789 53.791 53.050 -0.080 0.000 0.880 289 N CB -0.108 38.339 38.487 -0.068 0.000 0.965 289 N HN 0.639 nan 8.380 nan 0.000 0.437 290 K N 0.201 120.576 120.400 -0.041 0.000 2.283 290 K HA -0.015 4.304 4.320 -0.000 0.000 0.202 290 K C 1.620 178.202 176.600 -0.030 0.000 1.048 290 K CA 0.963 57.234 56.287 -0.027 0.000 0.948 290 K CB 0.028 32.516 32.500 -0.021 0.000 0.742 290 K HN 0.179 nan 8.250 nan 0.000 0.458 291 I N 0.841 121.385 120.570 -0.043 0.000 2.947 291 I HA 0.030 4.200 4.170 -0.000 0.000 0.263 291 I C 2.512 178.595 176.117 -0.057 0.000 1.130 291 I CA 0.471 61.745 61.300 -0.043 0.000 1.448 291 I CB -0.096 37.879 38.000 -0.042 0.000 1.222 291 I HN 0.173 nan 8.210 nan 0.000 0.453 292 A N 1.189 123.957 122.820 -0.086 0.000 1.978 292 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 292 A C 2.071 179.551 177.584 -0.172 0.000 1.170 292 A CA 1.462 53.411 52.037 -0.146 0.000 0.636 292 A CB -0.683 18.188 19.000 -0.215 0.000 0.810 292 A HN 0.437 nan 8.150 nan 0.000 0.448 293 L N -1.022 120.132 121.223 -0.114 0.000 2.628 293 L HA 0.289 4.629 4.340 -0.000 0.000 0.229 293 L C 1.002 177.881 176.870 0.015 0.000 1.137 293 L CA -0.121 54.693 54.840 -0.043 0.000 0.909 293 L CB -0.264 41.780 42.059 -0.025 0.000 1.137 293 L HN 0.360 nan 8.230 nan 0.000 0.470 294 A N 0.645 123.463 122.820 -0.004 0.000 2.304 294 A HA 0.714 5.034 4.320 -0.000 0.000 0.301 294 A C 0.415 177.994 177.584 -0.009 0.000 1.132 294 A CA -0.289 51.754 52.037 0.010 0.000 0.819 294 A CB 0.624 19.619 19.000 -0.008 0.000 1.094 294 A HN 0.187 nan 8.150 nan 0.000 0.492 295 A N 2.141 124.954 122.820 -0.012 0.000 2.462 295 A HA 0.553 4.872 4.320 -0.000 0.000 0.243 295 A C 0.398 177.872 177.584 -0.184 0.000 1.076 295 A CA 0.057 52.004 52.037 -0.150 0.000 0.773 295 A CB 0.110 18.926 19.000 -0.307 0.000 1.010 295 A HN 0.747 nan 8.150 nan 0.000 0.493 296 R N 2.115 122.483 120.500 -0.220 0.000 2.604 296 R HA 0.429 4.769 4.340 -0.000 0.000 0.281 296 R C -3.136 173.031 176.300 -0.221 0.000 1.020 296 R CA -1.922 54.073 56.100 -0.175 0.000 0.899 296 R CB 2.219 32.462 30.300 -0.095 0.000 1.205 296 R HN 0.559 nan 8.270 nan 0.000 0.450 297 P HA 0.062 nan 4.420 nan 0.000 0.271 297 P C -0.123 177.121 177.300 -0.094 0.000 1.216 297 P CA -0.177 62.818 63.100 -0.175 0.000 0.771 297 P CB 0.901 32.524 31.700 -0.127 0.000 0.864 298 V N 0.602 120.470 119.914 -0.078 0.000 2.667 298 V HA 0.573 4.693 4.120 -0.000 0.000 0.308 298 V C -0.079 176.130 176.094 0.192 0.000 1.048 298 V CA -1.009 61.325 62.300 0.057 0.000 0.928 298 V CB 2.185 34.002 31.823 -0.009 0.000 1.004 298 V HN 0.419 nan 8.190 nan 0.000 0.444 299 K N 2.657 123.217 120.400 0.266 0.000 2.235 299 K HA 0.728 5.048 4.320 -0.000 0.000 0.266 299 K C -0.076 176.746 176.600 0.371 0.000 0.980 299 K CA -0.348 56.090 56.287 0.253 0.000 0.849 299 K CB 1.694 34.277 32.500 0.137 0.000 1.098 299 K HN 1.136 nan 8.250 nan 0.000 0.445 300 A N 5.275 128.285 122.820 0.317 0.000 2.440 300 A HA 0.290 4.610 4.320 -0.000 0.000 0.251 300 A C 0.025 177.559 177.584 -0.083 0.000 1.089 300 A CA -0.397 51.623 52.037 -0.028 0.000 0.779 300 A CB 0.088 19.050 19.000 -0.064 0.000 1.022 300 A HN 0.621 nan 8.150 nan 0.000 0.492 301 I N 3.221 123.668 120.570 -0.206 0.000 2.291 301 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 301 I C 0.027 176.046 176.117 -0.164 0.000 1.050 301 I CA 0.313 61.545 61.300 -0.113 0.000 1.245 301 I CB 0.225 38.168 38.000 -0.094 0.000 1.405 301 I HN 0.504 nan 8.210 nan 0.000 0.478 302 T N 7.713 122.207 114.554 -0.099 0.000 2.893 302 T HA 0.466 4.816 4.350 -0.000 0.000 0.324 302 T C -1.546 173.117 174.700 -0.061 0.000 1.082 302 T CA -0.874 61.175 62.100 -0.085 0.000 0.983 302 T CB 1.200 70.038 68.868 -0.050 0.000 1.005 302 T HN 0.460 nan 8.240 nan 0.000 0.475 303 P HA 0.541 nan 4.420 nan 0.000 0.281 303 P C -3.045 174.165 177.300 -0.150 0.000 1.281 303 P CA -2.126 60.916 63.100 -0.098 0.000 0.811 303 P CB 0.062 31.720 31.700 -0.071 0.000 1.154 304 P HA 0.071 nan 4.420 nan 0.000 0.266 304 P C -0.320 176.813 177.300 -0.278 0.000 1.195 304 P CA 0.463 63.350 63.100 -0.354 0.000 0.768 304 P CB -0.001 31.311 31.700 -0.646 0.000 0.838 305 T N 5.296 119.688 114.554 -0.269 0.000 2.832 305 T HA 0.283 4.632 4.350 -0.000 0.000 0.296 305 T C -2.143 172.423 174.700 -0.222 0.000 0.968 305 T CA -1.104 60.870 62.100 -0.209 0.000 1.107 305 T CB 0.040 68.781 68.868 -0.211 0.000 0.916 305 T HN 0.265 nan 8.240 nan 0.000 0.517 306 P HA 0.248 nan 4.420 nan 0.000 0.272 306 P C -0.565 176.660 177.300 -0.124 0.000 1.230 306 P CA -0.581 62.439 63.100 -0.132 0.000 0.788 306 P CB 0.279 31.924 31.700 -0.091 0.000 0.949 307 A N 2.119 124.882 122.820 -0.097 0.000 2.589 307 A HA 0.006 4.325 4.320 -0.000 0.000 0.259 307 A C 0.200 177.732 177.584 -0.088 0.000 1.000 307 A CA 0.368 52.355 52.037 -0.084 0.000 0.847 307 A CB -0.998 17.967 19.000 -0.059 0.000 0.885 307 A HN 0.364 nan 8.150 nan 0.000 0.508 308 V N 6.444 126.298 119.914 -0.100 0.000 2.406 308 V HA 0.132 4.252 4.120 -0.000 0.000 0.272 308 V C 1.540 177.600 176.094 -0.057 0.000 1.043 308 V CA -0.590 61.659 62.300 -0.085 0.000 0.915 308 V CB 0.985 32.741 31.823 -0.111 0.000 0.988 308 V HN 1.030 nan 8.190 nan 0.000 0.466 309 R N 3.897 124.371 120.500 -0.043 0.000 2.091 309 R HA -0.078 4.261 4.340 -0.000 0.000 0.238 309 R C 1.345 177.637 176.300 -0.014 0.000 1.136 309 R CA 1.463 57.541 56.100 -0.037 0.000 0.959 309 R CB -0.408 29.871 30.300 -0.034 0.000 0.856 309 R HN 0.723 nan 8.270 nan 0.000 0.437 310 A N 2.029 124.868 122.820 0.032 0.000 3.063 310 A HA 0.277 4.597 4.320 -0.000 0.000 0.263 310 A C -0.418 177.276 177.584 0.184 0.000 1.736 310 A CA 0.014 52.128 52.037 0.129 0.000 1.408 310 A CB -0.084 19.020 19.000 0.174 0.000 1.108 310 A HN 0.099 nan 8.150 nan 0.000 0.621 311 S N 0.455 116.226 115.700 0.119 0.000 2.599 311 S HA 0.574 5.044 4.470 -0.000 0.000 0.287 311 S C -1.029 173.659 174.600 0.147 0.000 1.105 311 S CA -0.607 57.682 58.200 0.147 0.000 0.899 311 S CB 1.288 64.492 63.200 0.007 0.000 1.100 311 S HN 0.691 nan 8.310 nan 0.000 0.482 312 W N 3.347 124.671 121.300 0.040 0.000 2.314 312 W HA 0.590 5.250 4.660 -0.000 0.000 0.310 312 W C -1.922 174.464 176.519 -0.222 0.000 1.075 312 W CA -0.565 56.753 57.345 -0.045 0.000 1.253 312 W CB 0.663 30.201 29.460 0.130 0.000 1.238 312 W HN 0.353 nan 8.180 nan 0.000 0.440 313 V N 7.635 127.135 119.914 -0.690 0.000 2.417 313 V HA 0.434 4.554 4.120 -0.000 0.000 0.291 313 V C -0.052 175.643 176.094 -0.665 0.000 1.024 313 V CA -0.336 61.518 62.300 -0.743 0.000 0.861 313 V CB 1.241 32.132 31.823 -1.554 0.000 0.985 313 V HN 0.694 nan 8.190 nan 0.000 0.436 314 H N 2.540 121.535 119.070 -0.125 0.000 2.918 314 H HA 0.915 5.471 4.556 -0.000 0.000 0.303 314 H C -1.252 174.331 175.328 0.425 0.000 1.380 314 H CA -1.319 54.774 56.048 0.074 0.000 1.134 314 H CB 2.206 32.060 29.762 0.154 0.000 1.842 314 H HN 0.427 nan 8.280 nan 0.000 0.533 315 K N 1.071 121.583 120.400 0.186 0.000 2.579 315 K HA 0.243 4.563 4.320 -0.000 0.000 0.257 315 K C -1.431 175.293 176.600 0.206 0.000 0.950 315 K CA -0.000 56.356 56.287 0.115 0.000 0.862 315 K CB 1.934 34.492 32.500 0.097 0.000 1.317 315 K HN 0.940 nan 8.250 nan 0.000 0.436 316 T N -0.016 114.673 114.554 0.224 0.000 2.918 316 T HA 0.885 5.235 4.350 -0.000 0.000 0.283 316 T C 0.308 175.115 174.700 0.178 0.000 1.001 316 T CA -0.407 61.860 62.100 0.278 0.000 1.041 316 T CB 1.648 70.585 68.868 0.115 0.000 1.028 316 T HN 0.676 nan 8.240 nan 0.000 0.511 317 G N -0.655 108.249 108.800 0.173 0.000 2.732 317 G HA2 0.734 4.694 3.960 -0.000 0.000 0.296 317 G HA3 0.734 4.694 3.960 -0.000 0.000 0.296 317 G C -1.499 173.494 174.900 0.155 0.000 1.448 317 G CA -0.477 44.725 45.100 0.170 0.000 0.911 317 G HN 1.135 nan 8.290 nan 0.000 0.528 318 A N 0.348 123.257 122.820 0.148 0.000 2.609 318 A HA 1.006 5.326 4.320 -0.000 0.000 0.291 318 A C 0.017 177.696 177.584 0.158 0.000 1.096 318 A CA 0.146 52.278 52.037 0.158 0.000 0.684 318 A CB 1.657 20.712 19.000 0.092 0.000 1.282 318 A HN 1.965 nan 8.150 nan 0.000 0.412 319 T N -2.648 112.036 114.554 0.215 0.000 2.693 319 T HA 0.628 4.977 4.350 -0.000 0.000 0.278 319 T C 1.280 176.091 174.700 0.184 0.000 0.994 319 T CA 0.182 62.388 62.100 0.177 0.000 1.033 319 T CB 0.884 69.909 68.868 0.261 0.000 1.342 319 T HN 1.580 nan 8.240 nan 0.000 0.538 320 G N -0.354 108.543 108.800 0.161 0.000 2.422 320 G HA2 0.192 4.152 3.960 -0.000 0.000 0.218 320 G HA3 0.192 4.152 3.960 -0.000 0.000 0.218 320 G C 1.153 176.147 174.900 0.158 0.000 1.146 320 G CA 0.604 45.783 45.100 0.132 0.000 0.769 320 G HN 1.153 nan 8.290 nan 0.000 0.547 321 G N -1.259 107.686 108.800 0.242 0.000 3.324 321 G HA2 0.479 4.439 3.960 -0.000 0.000 0.251 321 G HA3 0.479 4.439 3.960 -0.000 0.000 0.251 321 G C -0.419 174.460 174.900 -0.035 0.000 1.072 321 G CA -0.453 44.701 45.100 0.091 0.000 0.787 321 G HN 0.186 nan 8.290 nan 0.000 0.537 322 F N -0.562 119.515 119.950 0.213 0.000 2.603 322 F HA 0.722 5.249 4.527 -0.000 0.000 0.317 322 F C 0.315 176.243 175.800 0.212 0.000 1.066 322 F CA -1.161 57.000 58.000 0.267 0.000 0.941 322 F CB 2.441 41.625 39.000 0.308 0.000 1.291 322 F HN 0.002 nan 8.300 nan 0.000 0.472 323 G N 0.678 109.728 108.800 0.417 0.000 2.739 323 G HA2 0.550 4.509 3.960 -0.000 0.000 0.291 323 G HA3 0.550 4.509 3.960 -0.000 0.000 0.291 323 G C -1.545 173.500 174.900 0.242 0.000 1.478 323 G CA -0.670 44.555 45.100 0.208 0.000 1.062 323 G HN 0.773 nan 8.290 nan 0.000 0.532 324 S N 1.106 116.929 115.700 0.205 0.000 2.632 324 S HA 0.879 5.349 4.470 -0.000 0.000 0.289 324 S C -1.495 173.285 174.600 0.300 0.000 1.115 324 S CA -0.980 57.367 58.200 0.244 0.000 0.889 324 S CB 2.554 65.901 63.200 0.245 0.000 1.116 324 S HN 1.228 nan 8.310 nan 0.000 0.486 325 Y N -0.078 120.320 120.300 0.163 0.000 2.521 325 Y HA 0.622 5.172 4.550 -0.000 0.000 0.332 325 Y C -2.055 173.991 175.900 0.244 0.000 1.121 325 Y CA -0.840 57.373 58.100 0.189 0.000 1.037 325 Y CB 1.623 40.192 38.460 0.181 0.000 1.330 325 Y HN 0.781 nan 8.280 nan 0.000 0.452 326 V N 4.102 123.791 119.914 -0.375 0.000 2.686 326 V HA 0.963 5.083 4.120 -0.000 0.000 0.306 326 V C -0.907 174.915 176.094 -0.453 0.000 1.065 326 V CA -0.287 61.908 62.300 -0.174 0.000 0.894 326 V CB 1.425 33.421 31.823 0.288 0.000 1.004 326 V HN 1.027 nan 8.190 nan 0.000 0.424 327 A N 4.819 127.416 122.820 -0.371 0.000 2.520 327 A HA 1.037 5.357 4.320 -0.000 0.000 0.298 327 A C -1.271 176.025 177.584 -0.480 0.000 1.051 327 A CA -0.523 51.161 52.037 -0.589 0.000 0.690 327 A CB 1.791 20.360 19.000 -0.718 0.000 1.281 327 A HN 1.509 nan 8.150 nan 0.000 0.402 328 F N -0.527 118.974 119.950 -0.750 0.000 2.668 328 F HA 0.823 5.350 4.527 -0.000 0.000 0.309 328 F C -1.472 173.979 175.800 -0.581 0.000 1.117 328 F CA -1.206 56.433 58.000 -0.602 0.000 0.951 328 F CB 1.288 40.002 39.000 -0.476 0.000 1.323 328 F HN 0.312 nan 8.300 nan 0.000 0.451 329 I N 2.755 123.172 120.570 -0.256 0.000 2.437 329 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 329 I C -2.120 173.905 176.117 -0.153 0.000 1.028 329 I CA -1.918 59.199 61.300 -0.305 0.000 1.142 329 I CB 1.803 39.473 38.000 -0.550 0.000 1.266 329 I HN 0.394 nan 8.210 nan 0.000 0.461 330 P HA -0.236 nan 4.420 nan 0.000 0.216 330 P C 1.403 178.641 177.300 -0.104 0.000 1.157 330 P CA 1.297 64.365 63.100 -0.053 0.000 0.880 330 P CB 0.296 31.978 31.700 -0.030 0.000 0.791 331 E N -0.086 120.048 120.200 -0.111 0.000 2.209 331 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 331 E C 1.129 177.652 176.600 -0.128 0.000 0.993 331 E CA 1.028 57.370 56.400 -0.097 0.000 0.819 331 E CB -0.078 29.585 29.700 -0.061 0.000 0.745 331 E HN 0.256 nan 8.360 nan 0.000 0.477 332 K N -0.606 119.679 120.400 -0.190 0.000 2.358 332 K HA 0.064 4.384 4.320 -0.000 0.000 0.197 332 K C 0.355 176.844 176.600 -0.184 0.000 1.025 332 K CA 0.708 56.877 56.287 -0.196 0.000 1.104 332 K CB 0.942 33.279 32.500 -0.272 0.000 0.855 332 K HN 0.116 nan 8.250 nan 0.000 0.531 333 E N 0.988 121.089 120.200 -0.165 0.000 2.328 333 E HA -0.201 4.149 4.350 -0.000 0.000 0.233 333 E C -0.452 176.058 176.600 -0.151 0.000 1.219 333 E CA 1.228 57.532 56.400 -0.160 0.000 0.717 333 E CB -2.418 27.186 29.700 -0.159 0.000 1.210 333 E HN 0.243 nan 8.360 nan 0.000 0.381 334 L N -1.043 120.094 121.223 -0.143 0.000 2.386 334 L HA 0.930 5.270 4.340 -0.000 0.000 0.271 334 L C 0.524 177.338 176.870 -0.094 0.000 0.993 334 L CA 0.259 55.041 54.840 -0.098 0.000 0.819 334 L CB 2.130 44.115 42.059 -0.124 0.000 1.294 334 L HN 0.812 nan 8.230 nan 0.000 0.414 335 G N 3.999 112.773 108.800 -0.043 0.000 2.576 335 G HA2 0.593 4.553 3.960 -0.000 0.000 0.290 335 G HA3 0.593 4.553 3.960 -0.000 0.000 0.290 335 G C -2.264 172.642 174.900 0.009 0.000 1.442 335 G CA -0.431 44.644 45.100 -0.043 0.000 0.792 335 G HN 0.809 nan 8.290 nan 0.000 0.491 336 I N -0.288 120.291 120.570 0.016 0.000 2.827 336 I HA 0.699 4.869 4.170 -0.000 0.000 0.298 336 I C -1.356 174.828 176.117 0.111 0.000 1.235 336 I CA -1.018 60.335 61.300 0.087 0.000 1.021 336 I CB 2.345 40.416 38.000 0.118 0.000 1.259 336 I HN 0.399 nan 8.210 nan 0.000 0.427 337 V N 7.258 127.273 119.914 0.169 0.000 2.588 337 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 337 V C -0.522 175.705 176.094 0.221 0.000 1.042 337 V CA -0.423 61.994 62.300 0.195 0.000 0.877 337 V CB 1.823 33.776 31.823 0.218 0.000 0.996 337 V HN 0.645 nan 8.190 nan 0.000 0.425 338 M N 6.306 126.044 119.600 0.230 0.000 2.093 338 M HA 0.582 5.062 4.480 -0.000 0.000 0.297 338 M C -1.310 175.085 176.300 0.159 0.000 0.938 338 M CA -0.111 55.324 55.300 0.224 0.000 0.920 338 M CB 1.642 34.422 32.600 0.299 0.000 1.517 338 M HN 0.382 nan 8.290 nan 0.000 0.427 339 L N 2.923 124.140 121.223 -0.010 0.000 2.333 339 L HA 0.979 5.319 4.340 -0.000 0.000 0.280 339 L C -0.335 176.368 176.870 -0.277 0.000 1.004 339 L CA -0.735 53.947 54.840 -0.263 0.000 0.820 339 L CB 1.676 43.223 42.059 -0.853 0.000 1.247 339 L HN 0.761 nan 8.230 nan 0.000 0.416 340 A N 2.104 125.019 122.820 0.159 0.000 2.449 340 A HA 0.574 4.894 4.320 -0.000 0.000 0.302 340 A C -0.401 177.524 177.584 0.569 0.000 1.048 340 A CA -0.767 51.500 52.037 0.385 0.000 0.708 340 A CB 1.293 20.522 19.000 0.381 0.000 1.274 340 A HN 0.753 nan 8.150 nan 0.000 0.410 341 N N 1.388 120.366 118.700 0.462 0.000 2.758 341 N HA 0.175 4.915 4.740 -0.000 0.000 0.293 341 N C -0.481 175.003 175.510 -0.043 0.000 1.273 341 N CA -0.092 52.918 53.050 -0.066 0.000 1.022 341 N CB 0.214 38.636 38.487 -0.108 0.000 1.334 341 N HN 0.611 nan 8.380 nan 0.000 0.519 342 K N 0.265 120.740 120.400 0.126 0.000 2.543 342 K HA 0.202 4.521 4.320 -0.000 0.000 0.255 342 K C -1.742 175.029 176.600 0.285 0.000 0.934 342 K CA -0.679 55.712 56.287 0.173 0.000 0.810 342 K CB 1.258 33.865 32.500 0.177 0.000 1.315 342 K HN 0.015 nan 8.250 nan 0.000 0.433 343 N N 4.042 122.872 118.700 0.216 0.000 2.415 343 N HA 0.148 4.887 4.740 -0.000 0.000 0.246 343 N C -1.490 174.137 175.510 0.195 0.000 1.078 343 N CA -0.012 53.149 53.050 0.185 0.000 0.942 343 N CB 0.050 38.618 38.487 0.136 0.000 1.140 343 N HN 0.484 nan 8.380 nan 0.000 0.501 344 Y N 1.353 121.694 120.300 0.069 0.000 2.549 344 Y HA 0.745 5.295 4.550 -0.000 0.000 0.339 344 Y C -2.521 173.397 175.900 0.030 0.000 1.053 344 Y CA -3.062 55.062 58.100 0.040 0.000 1.105 344 Y CB -0.025 38.453 38.460 0.029 0.000 1.258 344 Y HN 0.318 nan 8.280 nan 0.000 0.478 345 P HA -0.062 nan 4.420 nan 0.000 0.261 345 P C 0.094 177.295 177.300 -0.164 0.000 1.165 345 P CA 0.523 63.597 63.100 -0.043 0.000 0.759 345 P CB 0.666 32.385 31.700 0.032 0.000 0.772 346 N N 4.823 123.424 118.700 -0.165 0.000 2.061 346 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 346 N C -0.853 174.558 175.510 -0.166 0.000 1.030 346 N CA 1.846 54.780 53.050 -0.194 0.000 0.856 346 N CB -1.778 36.626 38.487 -0.140 0.000 1.023 346 N HN 0.452 nan 8.380 nan 0.000 0.424 347 P HA -0.041 nan 4.420 nan 0.000 0.218 347 P C 0.986 178.265 177.300 -0.035 0.000 1.148 347 P CA 1.344 64.403 63.100 -0.069 0.000 0.822 347 P CB -0.043 31.631 31.700 -0.045 0.000 0.784 348 A N -0.143 122.684 122.820 0.011 0.000 1.969 348 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 348 A C 2.178 179.843 177.584 0.135 0.000 1.169 348 A CA 1.205 53.303 52.037 0.103 0.000 0.635 348 A CB -0.834 18.296 19.000 0.216 0.000 0.810 348 A HN 0.109 nan 8.150 nan 0.000 0.445 349 R N -0.609 119.908 120.500 0.028 0.000 2.062 349 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 349 R C 1.971 178.200 176.300 -0.118 0.000 1.136 349 R CA 1.454 57.550 56.100 -0.006 0.000 0.948 349 R CB -0.696 29.465 30.300 -0.231 0.000 0.845 349 R HN 0.344 nan 8.270 nan 0.000 0.430 350 V N 1.851 121.580 119.914 -0.308 0.000 2.407 350 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 350 V C 1.953 178.117 176.094 0.116 0.000 1.055 350 V CA 2.159 64.335 62.300 -0.207 0.000 1.049 350 V CB -0.596 31.125 31.823 -0.170 0.000 0.662 350 V HN 0.337 nan 8.190 nan 0.000 0.455 351 D N 0.625 121.073 120.400 0.080 0.000 2.097 351 D HA -0.147 4.492 4.640 -0.000 0.000 0.195 351 D C 2.117 178.550 176.300 0.222 0.000 0.989 351 D CA 1.596 55.685 54.000 0.149 0.000 0.827 351 D CB -0.173 40.675 40.800 0.081 0.000 0.966 351 D HN 0.343 nan 8.370 nan 0.000 0.456 352 A N 0.462 123.384 122.820 0.170 0.000 1.902 352 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 352 A C 2.398 180.116 177.584 0.224 0.000 1.181 352 A CA 2.226 54.358 52.037 0.158 0.000 0.623 352 A CB -1.121 17.950 19.000 0.119 0.000 0.818 352 A HN 0.354 nan 8.150 nan 0.000 0.443 353 A N -1.163 121.854 122.820 0.328 0.000 1.930 353 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 353 A C 2.104 180.004 177.584 0.526 0.000 1.175 353 A CA 1.350 53.664 52.037 0.462 0.000 0.627 353 A CB -0.889 18.573 19.000 0.770 0.000 0.815 353 A HN 0.896 nan 8.150 nan 0.000 0.443 354 W N 0.874 122.394 121.300 0.365 0.000 2.358 354 W HA -0.190 4.469 4.660 -0.001 0.000 0.303 354 W C 1.882 178.529 176.519 0.214 0.000 1.208 354 W CA 1.899 59.415 57.345 0.286 0.000 1.274 354 W CB -0.305 29.187 29.460 0.053 0.000 1.138 354 W HN 0.430 nan 8.180 nan 0.000 0.515 355 Q N 0.829 120.672 119.800 0.072 0.000 2.014 355 Q HA -0.256 4.084 4.340 -0.000 0.000 0.207 355 Q C 2.299 178.227 176.000 -0.119 0.000 0.993 355 Q CA 2.454 58.221 55.803 -0.060 0.000 0.850 355 Q CB -1.068 27.704 28.738 0.058 0.000 0.916 355 Q HN 0.460 nan 8.270 nan 0.000 0.417 356 I N 0.707 121.268 120.570 -0.015 0.000 2.099 356 I HA -0.299 3.871 4.170 -0.000 0.000 0.239 356 I C 2.466 178.556 176.117 -0.044 0.000 1.066 356 I CA 1.149 62.435 61.300 -0.023 0.000 1.324 356 I CB -0.414 37.597 38.000 0.019 0.000 1.037 356 I HN 0.133 nan 8.210 nan 0.000 0.401 357 L N 0.279 121.505 121.223 0.005 0.000 2.141 357 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 357 L C 2.275 179.080 176.870 -0.108 0.000 1.094 357 L CA 1.340 56.180 54.840 0.000 0.000 0.763 357 L CB -0.834 41.299 42.059 0.124 0.000 0.908 357 L HN 0.354 nan 8.230 nan 0.000 0.437 358 N N 0.583 119.066 118.700 -0.361 0.000 2.270 358 N HA -0.119 4.621 4.740 -0.000 0.000 0.181 358 N C 1.801 177.180 175.510 -0.218 0.000 1.016 358 N CA 1.314 54.069 53.050 -0.493 0.000 0.870 358 N CB 0.045 37.750 38.487 -1.303 0.000 0.979 358 N HN 0.248 nan 8.380 nan 0.000 0.431 359 A N 0.196 122.904 122.820 -0.186 0.000 1.933 359 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 359 A C 2.098 179.655 177.584 -0.046 0.000 1.175 359 A CA 1.008 52.989 52.037 -0.093 0.000 0.628 359 A CB -0.534 18.415 19.000 -0.085 0.000 0.814 359 A HN 0.365 nan 8.150 nan 0.000 0.444 360 L N -0.396 120.807 121.223 -0.033 0.000 2.477 360 L HA 0.031 4.371 4.340 -0.000 0.000 0.220 360 L C 1.388 178.328 176.870 0.116 0.000 1.106 360 L CA -0.042 54.821 54.840 0.039 0.000 0.851 360 L CB -0.468 41.613 42.059 0.037 0.000 0.994 360 L HN 0.591 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.830 119.800 0.050 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.829 55.803 0.043 0.000 1.022 361 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481