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 2hdu_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 0.000 177.455 177.584 -0.215 0.000 1.274 4 A CA 0.000 51.907 52.037 -0.217 0.000 0.836 4 A CB 0.000 18.837 19.000 -0.271 0.000 0.831 5 P HA 0.062 nan 4.420 nan 0.000 0.265 5 P C 0.723 177.912 177.300 -0.185 0.000 1.187 5 P CA -0.046 62.914 63.100 -0.232 0.000 0.766 5 P CB 0.601 32.109 31.700 -0.320 0.000 0.820 6 Q N 2.749 122.482 119.800 -0.112 0.000 2.135 6 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 6 Q C 1.743 177.693 176.000 -0.082 0.000 0.981 6 Q CA 2.100 57.861 55.803 -0.069 0.000 0.856 6 Q CB -0.025 28.689 28.738 -0.041 0.000 0.902 6 Q HN 0.695 nan 8.270 nan 0.000 0.425 7 Q N -0.685 119.039 119.800 -0.127 0.000 2.167 7 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 7 Q C 2.011 177.913 176.000 -0.164 0.000 0.970 7 Q CA 1.457 57.181 55.803 -0.132 0.000 0.855 7 Q CB -0.304 28.345 28.738 -0.148 0.000 0.911 7 Q HN 0.435 nan 8.270 nan 0.000 0.438 8 I N 1.141 121.570 120.570 -0.235 0.000 2.277 8 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 8 I C 1.832 177.903 176.117 -0.075 0.000 1.094 8 I CA 0.726 61.902 61.300 -0.208 0.000 1.393 8 I CB -0.484 37.336 38.000 -0.300 0.000 1.078 8 I HN 0.233 nan 8.210 nan 0.000 0.417 9 N N 1.049 119.754 118.700 0.009 0.000 2.094 9 N HA -0.248 4.492 4.740 -0.000 0.000 0.191 9 N C 1.506 177.057 175.510 0.068 0.000 1.023 9 N CA 1.830 54.945 53.050 0.109 0.000 0.857 9 N CB -0.552 37.991 38.487 0.093 0.000 1.013 9 N HN 0.382 nan 8.380 nan 0.000 0.426 10 D N 0.272 120.689 120.400 0.028 0.000 2.084 10 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 10 D C 1.870 178.186 176.300 0.027 0.000 0.990 10 D CA 0.656 54.682 54.000 0.044 0.000 0.826 10 D CB -0.201 40.604 40.800 0.008 0.000 0.971 10 D HN 0.133 nan 8.370 nan 0.000 0.453 11 I N -0.301 120.255 120.570 -0.023 0.000 2.439 11 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 11 I C 2.043 178.139 176.117 -0.035 0.000 1.139 11 I CA 0.720 62.001 61.300 -0.031 0.000 1.438 11 I CB -0.101 37.870 38.000 -0.049 0.000 1.085 11 I HN -0.022 nan 8.210 nan 0.000 0.427 12 V N 0.216 120.076 119.914 -0.090 0.000 2.295 12 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 12 V C 2.556 178.698 176.094 0.080 0.000 1.049 12 V CA 2.272 64.488 62.300 -0.140 0.000 1.024 12 V CB -1.089 30.364 31.823 -0.616 0.000 0.648 12 V HN 0.534 nan 8.190 nan 0.000 0.447 13 H N 0.820 119.909 119.070 0.032 0.000 2.357 13 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 13 H C 2.418 177.799 175.328 0.087 0.000 1.082 13 H CA 1.845 57.979 56.048 0.143 0.000 1.342 13 H CB -0.135 29.698 29.762 0.119 0.000 1.389 13 H HN 0.277 nan 8.280 nan 0.000 0.511 14 R N -1.064 119.423 120.500 -0.022 0.000 2.152 14 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 14 R C 1.791 178.052 176.300 -0.064 0.000 1.117 14 R CA 1.699 57.740 56.100 -0.099 0.000 0.981 14 R CB 0.121 30.391 30.300 -0.049 0.000 0.870 14 R HN 0.341 nan 8.270 nan 0.000 0.451 15 T N 0.301 114.839 114.554 -0.026 0.000 2.988 15 T HA 0.123 4.473 4.350 -0.000 0.000 0.240 15 T C 1.735 176.398 174.700 -0.062 0.000 1.014 15 T CA 0.291 62.377 62.100 -0.024 0.000 1.155 15 T CB 0.207 69.078 68.868 0.004 0.000 0.872 15 T HN -0.030 nan 8.240 nan 0.000 0.440 16 I N 2.065 122.587 120.570 -0.081 0.000 2.333 16 I HA -0.049 4.121 4.170 -0.000 0.000 0.246 16 I C 2.545 178.443 176.117 -0.364 0.000 1.106 16 I CA 1.317 62.461 61.300 -0.261 0.000 1.411 16 I CB -1.731 36.025 38.000 -0.407 0.000 1.082 16 I HN 0.250 nan 8.210 nan 0.000 0.420 17 T N 2.122 116.601 114.554 -0.126 0.000 2.708 17 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 17 T C -0.300 174.323 174.700 -0.128 0.000 1.037 17 T CA 1.524 63.587 62.100 -0.062 0.000 1.146 17 T CB -1.257 67.824 68.868 0.356 0.000 0.865 17 T HN 0.233 nan 8.240 nan 0.000 0.435 18 P HA 0.038 nan 4.420 nan 0.000 0.219 18 P C 1.633 178.858 177.300 -0.124 0.000 1.150 18 P CA 0.365 63.405 63.100 -0.099 0.000 0.814 18 P CB -0.161 31.491 31.700 -0.080 0.000 0.787 19 L N -0.386 120.744 121.223 -0.155 0.000 2.013 19 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 19 L C 2.124 178.841 176.870 -0.256 0.000 1.073 19 L CA 1.917 56.649 54.840 -0.180 0.000 0.753 19 L CB -1.182 40.764 42.059 -0.189 0.000 0.890 19 L HN -0.123 nan 8.230 nan 0.000 0.432 20 I N -0.650 119.729 120.570 -0.319 0.000 2.226 20 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 20 I C 2.406 178.406 176.117 -0.195 0.000 1.100 20 I CA 1.006 62.114 61.300 -0.320 0.000 1.374 20 I CB -0.405 37.361 38.000 -0.390 0.000 1.057 20 I HN 0.322 nan 8.210 nan 0.000 0.413 21 E N 0.567 120.681 120.200 -0.143 0.000 2.072 21 E HA -0.229 4.120 4.350 -0.000 0.000 0.191 21 E C 2.165 178.716 176.600 -0.080 0.000 0.985 21 E CA 1.202 57.550 56.400 -0.087 0.000 0.801 21 E CB -0.343 29.322 29.700 -0.058 0.000 0.750 21 E HN 0.582 nan 8.360 nan 0.000 0.452 22 Q N 0.196 119.944 119.800 -0.087 0.000 2.084 22 Q HA -0.126 4.213 4.340 -0.000 0.000 0.202 22 Q C 1.946 177.908 176.000 -0.064 0.000 0.978 22 Q CA 1.126 56.891 55.803 -0.064 0.000 0.844 22 Q CB 0.075 28.779 28.738 -0.058 0.000 0.898 22 Q HN 0.175 nan 8.270 nan 0.000 0.426 23 Q N 0.068 119.801 119.800 -0.111 0.000 2.392 23 Q HA 0.069 4.409 4.340 -0.000 0.000 0.203 23 Q C -0.309 175.637 176.000 -0.090 0.000 0.917 23 Q CA 0.213 55.953 55.803 -0.104 0.000 0.939 23 Q CB 0.641 29.241 28.738 -0.229 0.000 1.063 23 Q HN 0.280 nan 8.270 nan 0.000 0.516 24 K N 0.812 121.155 120.400 -0.095 0.000 3.150 24 K HA -0.172 4.148 4.320 -0.000 0.000 0.267 24 K C -0.586 175.968 176.600 -0.077 0.000 1.028 24 K CA 0.202 56.446 56.287 -0.071 0.000 0.753 24 K CB -1.925 30.552 32.500 -0.039 0.000 1.288 24 K HN 0.247 nan 8.250 nan 0.000 0.473 25 I N 1.054 121.549 120.570 -0.125 0.000 2.452 25 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 25 I C -0.954 175.133 176.117 -0.050 0.000 1.079 25 I CA -2.068 59.169 61.300 -0.104 0.000 1.387 25 I CB 0.839 38.706 38.000 -0.223 0.000 1.404 25 I HN 0.022 nan 8.210 nan 0.000 0.522 26 P HA 0.023 nan 4.420 nan 0.000 0.219 26 P C 0.325 177.669 177.300 0.073 0.000 1.150 26 P CA 0.456 63.543 63.100 -0.023 0.000 0.814 26 P CB 0.342 31.946 31.700 -0.159 0.000 0.787 27 G N -1.144 107.759 108.800 0.172 0.000 2.759 27 G HA2 0.653 4.613 3.960 -0.000 0.000 0.297 27 G HA3 0.653 4.613 3.960 -0.000 0.000 0.297 27 G C -1.987 173.155 174.900 0.403 0.000 1.434 27 G CA -0.352 44.925 45.100 0.296 0.000 0.980 27 G HN 0.034 nan 8.290 nan 0.000 0.531 28 M N 1.359 121.238 119.600 0.465 0.000 2.414 28 M HA 0.715 5.195 4.480 -0.000 0.000 0.287 28 M C -1.421 175.214 176.300 0.559 0.000 1.181 28 M CA -0.478 55.063 55.300 0.401 0.000 0.933 28 M CB 2.218 34.897 32.600 0.133 0.000 1.732 28 M HN 1.109 nan 8.290 nan 0.000 0.486 29 A N 3.396 126.421 122.820 0.341 0.000 2.386 29 A HA 0.898 5.218 4.320 -0.000 0.000 0.311 29 A C -1.716 176.084 177.584 0.360 0.000 1.068 29 A CA -0.631 51.649 52.037 0.406 0.000 0.743 29 A CB 1.795 20.991 19.000 0.328 0.000 1.258 29 A HN 0.628 nan 8.150 nan 0.000 0.429 30 V N 0.804 121.045 119.914 0.546 0.000 2.789 30 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 30 V C 0.117 176.543 176.094 0.553 0.000 1.073 30 V CA -0.245 62.354 62.300 0.498 0.000 0.921 30 V CB 1.860 34.006 31.823 0.539 0.000 1.009 30 V HN 1.409 nan 8.190 nan 0.000 0.426 31 A N 3.774 126.834 122.820 0.400 0.000 2.355 31 A HA 0.895 5.214 4.320 -0.000 0.000 0.317 31 A C -1.091 176.642 177.584 0.248 0.000 1.094 31 A CA -0.565 51.644 52.037 0.288 0.000 0.764 31 A CB 1.767 20.880 19.000 0.188 0.000 1.230 31 A HN 0.663 nan 8.150 nan 0.000 0.448 32 V N 3.912 123.993 119.914 0.277 0.000 2.417 32 V HA 0.363 4.483 4.120 -0.000 0.000 0.291 32 V C -0.578 175.630 176.094 0.190 0.000 1.024 32 V CA -0.547 61.897 62.300 0.240 0.000 0.861 32 V CB 1.504 33.501 31.823 0.290 0.000 0.985 32 V HN 0.714 nan 8.190 nan 0.000 0.436 33 I N 5.266 125.909 120.570 0.122 0.000 2.321 33 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 33 I C -0.761 175.461 176.117 0.175 0.000 0.998 33 I CA -0.488 60.857 61.300 0.075 0.000 1.227 33 I CB 0.912 38.895 38.000 -0.029 0.000 1.368 33 I HN 0.673 nan 8.210 nan 0.000 0.466 34 Y N 5.814 126.175 120.300 0.101 0.000 2.346 34 Y HA 0.280 4.830 4.550 0.000 0.000 0.332 34 Y C 0.428 176.374 175.900 0.076 0.000 0.985 34 Y CA -0.657 57.503 58.100 0.101 0.000 1.112 34 Y CB 1.242 39.803 38.460 0.168 0.000 1.170 34 Y HN 0.688 nan 8.280 nan 0.000 0.447 35 Q N 4.544 124.073 119.800 -0.453 0.000 2.435 35 Q HA -0.277 4.063 4.340 -0.000 0.000 0.286 35 Q C 1.100 177.010 176.000 -0.149 0.000 1.229 35 Q CA 1.249 56.851 55.803 -0.334 0.000 0.884 35 Q CB -1.627 26.885 28.738 -0.377 0.000 1.245 35 Q HN 1.410 nan 8.270 nan 0.000 0.488 36 G N -0.707 108.020 108.800 -0.122 0.000 2.205 36 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 36 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 36 G C 0.035 174.880 174.900 -0.091 0.000 0.980 36 G CA 0.631 45.667 45.100 -0.105 0.000 0.632 36 G HN 0.297 nan 8.290 nan 0.000 0.533 37 K N 1.541 121.902 120.400 -0.066 0.000 2.182 37 K HA 0.534 4.854 4.320 -0.000 0.000 0.262 37 K C -2.693 173.715 176.600 -0.319 0.000 0.957 37 K CA -1.930 54.257 56.287 -0.168 0.000 0.842 37 K CB 2.763 35.173 32.500 -0.150 0.000 1.099 37 K HN 0.082 nan 8.250 nan 0.000 0.438 38 P HA 0.224 nan 4.420 nan 0.000 0.288 38 P C -1.484 175.180 177.300 -1.060 0.000 1.267 38 P CA -0.407 62.341 63.100 -0.588 0.000 0.815 38 P CB 0.585 31.995 31.700 -0.484 0.000 0.989 39 Y N 1.096 121.108 120.300 -0.481 0.000 2.442 39 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 39 Y C -0.129 175.360 175.900 -0.685 0.000 0.976 39 Y CA -0.584 57.222 58.100 -0.490 0.000 1.040 39 Y CB 1.856 40.215 38.460 -0.168 0.000 1.228 39 Y HN 0.282 nan 8.280 nan 0.000 0.451 40 Y N 2.219 122.301 120.300 -0.363 0.000 2.468 40 Y HA 0.723 5.273 4.550 -0.000 0.000 0.342 40 Y C -1.079 174.352 175.900 -0.781 0.000 1.021 40 Y CA -1.691 56.224 58.100 -0.309 0.000 1.079 40 Y CB 1.497 39.875 38.460 -0.136 0.000 1.226 40 Y HN 0.373 nan 8.280 nan 0.000 0.460 41 F N -0.008 120.048 119.950 0.176 0.000 2.596 41 F HA 0.585 5.112 4.527 -0.000 0.000 0.311 41 F C -0.147 175.562 175.800 -0.152 0.000 1.116 41 F CA -0.843 57.083 58.000 -0.124 0.000 0.957 41 F CB 2.318 41.242 39.000 -0.126 0.000 1.250 41 F HN 0.311 nan 8.300 nan 0.000 0.444 42 T N 2.483 116.865 114.554 -0.287 0.000 2.903 42 T HA 0.640 4.990 4.350 -0.000 0.000 0.299 42 T C -1.984 172.565 174.700 -0.251 0.000 1.093 42 T CA -0.415 61.667 62.100 -0.029 0.000 1.002 42 T CB 1.145 70.069 68.868 0.093 0.000 1.127 42 T HN 0.558 nan 8.240 nan 0.000 0.488 43 W N 2.081 123.463 121.300 0.137 0.000 3.138 43 W HA 0.484 5.144 4.660 -0.000 0.000 0.331 43 W C 0.650 177.189 176.519 0.034 0.000 1.166 43 W CA -0.347 57.038 57.345 0.068 0.000 1.212 43 W CB 1.447 30.945 29.460 0.064 0.000 1.399 43 W HN 1.257 nan 8.180 nan 0.000 0.514 44 G N 1.561 110.432 108.800 0.119 0.000 2.562 44 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.250 44 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.250 44 G C -1.577 173.283 174.900 -0.067 0.000 1.269 44 G CA -0.393 44.642 45.100 -0.110 0.000 0.919 44 G HN 0.566 nan 8.290 nan 0.000 0.574 45 Y N 0.154 120.537 120.300 0.138 0.000 2.393 45 Y HA 0.556 5.105 4.550 -0.000 0.000 0.341 45 Y C 1.349 177.343 175.900 0.157 0.000 0.988 45 Y CA -0.437 57.734 58.100 0.118 0.000 1.078 45 Y CB 2.006 40.501 38.460 0.060 0.000 1.203 45 Y HN 0.821 nan 8.280 nan 0.000 0.453 46 A N 1.122 124.140 122.820 0.330 0.000 1.970 46 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 46 A C 0.310 178.095 177.584 0.335 0.000 1.170 46 A CA 1.439 53.618 52.037 0.236 0.000 0.645 46 A CB 0.018 19.092 19.000 0.123 0.000 0.816 46 A HN 0.676 nan 8.150 nan 0.000 0.447 47 D N -1.145 119.439 120.400 0.307 0.000 2.476 47 D HA 0.397 5.037 4.640 -0.000 0.000 0.251 47 D C 0.611 176.962 176.300 0.085 0.000 1.291 47 D CA -0.462 53.734 54.000 0.327 0.000 0.939 47 D CB 0.702 41.680 40.800 0.296 0.000 1.221 47 D HN 0.138 nan 8.370 nan 0.000 0.567 48 I N 2.211 122.829 120.570 0.078 0.000 2.179 48 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 48 I C 2.415 178.397 176.117 -0.226 0.000 1.088 48 I CA 1.226 62.433 61.300 -0.156 0.000 1.357 48 I CB -0.042 37.819 38.000 -0.232 0.000 1.051 48 I HN 0.438 nan 8.210 nan 0.000 0.409 49 A N 0.793 123.548 122.820 -0.108 0.000 1.902 49 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 49 A C 2.216 179.718 177.584 -0.136 0.000 1.181 49 A CA 1.512 53.480 52.037 -0.115 0.000 0.623 49 A CB -0.382 18.559 19.000 -0.098 0.000 0.818 49 A HN 0.346 nan 8.150 nan 0.000 0.443 50 K N -0.627 119.701 120.400 -0.119 0.000 2.459 50 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 50 K C -0.304 176.175 176.600 -0.201 0.000 1.030 50 K CA 0.308 56.531 56.287 -0.106 0.000 1.026 50 K CB 0.046 32.532 32.500 -0.024 0.000 0.809 50 K HN 0.421 nan 8.250 nan 0.000 0.504 51 K N 1.521 121.654 120.400 -0.445 0.000 3.071 51 K HA -0.218 4.102 4.320 -0.000 0.000 0.262 51 K C -0.297 176.085 176.600 -0.364 0.000 0.977 51 K CA 0.359 56.122 56.287 -0.874 0.000 0.721 51 K CB -1.174 31.014 32.500 -0.519 0.000 1.293 51 K HN 0.150 nan 8.250 nan 0.000 0.475 52 Q N 1.130 120.837 119.800 -0.156 0.000 2.314 52 Q HA 0.182 4.522 4.340 -0.000 0.000 0.257 52 Q C -2.302 173.845 176.000 0.246 0.000 0.975 52 Q CA -2.193 53.650 55.803 0.066 0.000 0.933 52 Q CB 0.906 29.689 28.738 0.076 0.000 1.195 52 Q HN 0.039 nan 8.270 nan 0.000 0.426 53 P HA -0.004 nan 4.420 nan 0.000 0.274 53 P C -0.651 176.780 177.300 0.218 0.000 1.237 53 P CA -0.294 62.987 63.100 0.302 0.000 0.793 53 P CB 0.779 32.594 31.700 0.192 0.000 0.977 54 V N 2.326 122.378 119.914 0.231 0.000 2.585 54 V HA 0.198 4.318 4.120 -0.000 0.000 0.296 54 V C 1.272 177.471 176.094 0.176 0.000 1.035 54 V CA 0.819 63.259 62.300 0.233 0.000 1.084 54 V CB 0.189 32.231 31.823 0.364 0.000 0.953 54 V HN 0.888 nan 8.190 nan 0.000 0.483 55 T N 1.209 115.850 114.554 0.146 0.000 2.831 55 T HA 0.348 4.698 4.350 -0.000 0.000 0.287 55 T C 0.712 175.457 174.700 0.075 0.000 1.070 55 T CA -0.236 61.912 62.100 0.080 0.000 1.010 55 T CB 1.718 70.605 68.868 0.030 0.000 1.264 55 T HN 0.612 nan 8.240 nan 0.000 0.532 56 Q N -0.259 119.528 119.800 -0.022 0.000 2.437 56 Q HA -0.093 4.247 4.340 -0.000 0.000 0.210 56 Q C 1.301 177.246 176.000 -0.093 0.000 0.972 56 Q CA 1.236 56.977 55.803 -0.103 0.000 0.903 56 Q CB -0.387 28.193 28.738 -0.264 0.000 0.967 56 Q HN 0.636 nan 8.270 nan 0.000 0.486 57 Q N 0.600 120.354 119.800 -0.078 0.000 2.392 57 Q HA 0.146 4.486 4.340 -0.000 0.000 0.203 57 Q C -0.166 175.807 176.000 -0.045 0.000 0.917 57 Q CA 0.502 56.226 55.803 -0.132 0.000 0.939 57 Q CB 0.939 29.595 28.738 -0.137 0.000 1.063 57 Q HN 0.198 nan 8.270 nan 0.000 0.516 58 T N 1.351 115.928 114.554 0.038 0.000 2.834 58 T HA 0.236 4.586 4.350 -0.000 0.000 0.298 58 T C -0.331 174.398 174.700 0.048 0.000 0.966 58 T CA -0.223 61.888 62.100 0.018 0.000 1.141 58 T CB 0.281 69.146 68.868 -0.005 0.000 0.905 58 T HN -0.014 nan 8.240 nan 0.000 0.535 59 L N 4.482 125.699 121.223 -0.009 0.000 2.305 59 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 59 L C -0.295 176.564 176.870 -0.019 0.000 1.085 59 L CA 0.036 54.893 54.840 0.028 0.000 0.813 59 L CB 0.156 42.160 42.059 -0.092 0.000 1.157 59 L HN 0.521 nan 8.230 nan 0.000 0.436 60 F N 0.531 120.528 119.950 0.079 0.000 2.507 60 F HA 0.408 4.935 4.527 -0.000 0.000 0.327 60 F C 0.599 176.189 175.800 -0.350 0.000 1.068 60 F CA -0.948 57.054 58.000 0.004 0.000 0.965 60 F CB 1.118 40.258 39.000 0.233 0.000 1.192 60 F HN 0.410 nan 8.300 nan 0.000 0.476 61 E N 2.779 122.479 120.200 -0.833 0.000 2.265 61 E HA 0.107 4.457 4.350 -0.000 0.000 0.272 61 E C 0.564 177.083 176.600 -0.135 0.000 1.067 61 E CA -0.000 56.077 56.400 -0.537 0.000 0.900 61 E CB 0.673 29.952 29.700 -0.701 0.000 1.017 61 E HN 0.619 nan 8.360 nan 0.000 0.431 62 L N 2.995 124.221 121.223 0.004 0.000 2.395 62 L HA 0.007 4.346 4.340 -0.000 0.000 0.218 62 L C 1.471 178.439 176.870 0.163 0.000 1.130 62 L CA 0.566 55.477 54.840 0.118 0.000 0.826 62 L CB -0.918 41.217 42.059 0.125 0.000 0.941 62 L HN 0.901 nan 8.230 nan 0.000 0.451 63 G N 0.396 109.294 108.800 0.163 0.000 2.596 63 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.295 63 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.295 63 G C 0.794 175.843 174.900 0.249 0.000 1.240 63 G CA 0.361 45.591 45.100 0.218 0.000 0.985 63 G HN 0.224 nan 8.290 nan 0.000 0.555 64 S N -0.079 115.768 115.700 0.245 0.000 2.547 64 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 64 S C 2.342 177.077 174.600 0.225 0.000 0.980 64 S CA 1.185 59.549 58.200 0.273 0.000 0.941 64 S CB -0.047 63.352 63.200 0.332 0.000 0.763 64 S HN 0.738 nan 8.310 nan 0.000 0.532 65 V N 1.750 121.783 119.914 0.198 0.000 2.720 65 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 65 V C 2.192 178.399 176.094 0.188 0.000 1.082 65 V CA 1.528 63.927 62.300 0.165 0.000 1.101 65 V CB -0.896 31.044 31.823 0.197 0.000 0.693 65 V HN 0.468 nan 8.190 nan 0.000 0.479 66 S N -0.178 115.664 115.700 0.237 0.000 2.402 66 S HA -0.271 4.199 4.470 -0.000 0.000 0.233 66 S C 1.909 176.668 174.600 0.263 0.000 1.030 66 S CA 1.479 59.852 58.200 0.287 0.000 1.003 66 S CB -0.317 62.995 63.200 0.187 0.000 0.813 66 S HN 0.647 nan 8.310 nan 0.000 0.477 67 K N 0.819 121.330 120.400 0.185 0.000 2.211 67 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 67 K C 2.465 179.095 176.600 0.049 0.000 1.047 67 K CA 1.606 57.983 56.287 0.150 0.000 0.935 67 K CB -0.524 32.087 32.500 0.185 0.000 0.728 67 K HN 0.655 nan 8.250 nan 0.000 0.452 68 T N -1.172 113.308 114.554 -0.124 0.000 2.821 68 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 68 T C 1.758 176.447 174.700 -0.017 0.000 1.046 68 T CA 0.795 62.640 62.100 -0.424 0.000 1.139 68 T CB -0.383 67.810 68.868 -1.126 0.000 0.871 68 T HN 0.027 nan 8.240 nan 0.000 0.454 69 F N 2.227 122.217 119.950 0.067 0.000 2.146 69 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 69 F C 3.023 178.875 175.800 0.087 0.000 1.096 69 F CA 1.395 59.392 58.000 -0.006 0.000 1.275 69 F CB -1.214 37.674 39.000 -0.186 0.000 1.008 69 F HN 0.138 nan 8.300 nan 0.000 0.480 70 T N -0.503 114.242 114.554 0.319 0.000 2.746 70 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 70 T C 2.373 177.261 174.700 0.313 0.000 1.039 70 T CA 1.461 63.765 62.100 0.339 0.000 1.142 70 T CB -1.065 68.004 68.868 0.335 0.000 0.866 70 T HN 0.445 nan 8.240 nan 0.000 0.444 71 G N 0.890 109.842 108.800 0.253 0.000 2.418 71 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 71 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 71 G C 1.699 176.756 174.900 0.261 0.000 1.158 71 G CA 0.805 46.048 45.100 0.238 0.000 0.771 71 G HN 0.436 nan 8.290 nan 0.000 0.545 72 V N 0.553 120.631 119.914 0.274 0.000 2.427 72 V HA -0.087 4.033 4.120 -0.000 0.000 0.248 72 V C 2.661 178.877 176.094 0.203 0.000 1.051 72 V CA 1.457 63.929 62.300 0.288 0.000 1.048 72 V CB -0.280 31.813 31.823 0.451 0.000 0.666 72 V HN 0.341 nan 8.190 nan 0.000 0.456 73 L N 1.362 122.679 121.223 0.157 0.000 2.046 73 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 73 L C 2.343 179.229 176.870 0.027 0.000 1.077 73 L CA 2.458 57.311 54.840 0.023 0.000 0.747 73 L CB -1.267 40.724 42.059 -0.114 0.000 0.896 73 L HN 0.271 nan 8.230 nan 0.000 0.432 74 G N -1.213 107.658 108.800 0.118 0.000 2.418 74 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 74 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 74 G C 1.528 176.532 174.900 0.173 0.000 1.158 74 G CA 0.563 45.749 45.100 0.143 0.000 0.771 74 G HN 0.595 nan 8.290 nan 0.000 0.545 75 G N 0.660 109.574 108.800 0.189 0.000 2.440 75 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 75 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 75 G C 1.447 176.402 174.900 0.093 0.000 1.154 75 G CA 1.392 46.581 45.100 0.148 0.000 0.767 75 G HN 0.521 nan 8.290 nan 0.000 0.552 76 D N 0.439 120.882 120.400 0.072 0.000 2.144 76 D HA 0.067 4.707 4.640 -0.000 0.000 0.200 76 D C 2.641 178.944 176.300 0.005 0.000 0.978 76 D CA 1.367 55.387 54.000 0.033 0.000 0.833 76 D CB -0.252 40.559 40.800 0.018 0.000 0.961 76 D HN 0.241 nan 8.370 nan 0.000 0.470 77 A N 0.046 122.856 122.820 -0.015 0.000 1.930 77 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 77 A C 2.295 179.869 177.584 -0.017 0.000 1.175 77 A CA 1.052 53.061 52.037 -0.047 0.000 0.627 77 A CB -0.739 18.197 19.000 -0.108 0.000 0.815 77 A HN 0.386 nan 8.150 nan 0.000 0.443 78 I N -0.178 120.404 120.570 0.020 0.000 2.226 78 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 78 I C 2.909 179.046 176.117 0.034 0.000 1.100 78 I CA 1.104 62.428 61.300 0.041 0.000 1.374 78 I CB -0.309 37.737 38.000 0.076 0.000 1.057 78 I HN 0.328 nan 8.210 nan 0.000 0.413 79 A N 0.721 123.562 122.820 0.034 0.000 2.019 79 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 79 A C 2.298 179.890 177.584 0.014 0.000 1.164 79 A CA 1.293 53.346 52.037 0.026 0.000 0.644 79 A CB -0.529 18.488 19.000 0.028 0.000 0.805 79 A HN 0.348 nan 8.150 nan 0.000 0.449 80 R N -1.368 119.135 120.500 0.005 0.000 2.307 80 R HA 0.152 4.492 4.340 -0.000 0.000 0.199 80 R C 1.306 177.607 176.300 0.002 0.000 1.000 80 R CA 0.522 56.620 56.100 -0.003 0.000 1.023 80 R CB -0.174 30.115 30.300 -0.018 0.000 0.908 80 R HN 0.676 nan 8.270 nan 0.000 0.473 81 G N 1.084 109.891 108.800 0.010 0.000 2.143 81 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 81 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 81 G C 0.525 175.438 174.900 0.022 0.000 0.991 81 G CA 0.567 45.679 45.100 0.020 0.000 0.689 81 G HN 0.446 nan 8.290 nan 0.000 0.522 82 E N -0.591 119.611 120.200 0.004 0.000 2.112 82 E HA 0.225 4.575 4.350 -0.000 0.000 0.190 82 E C 1.607 178.211 176.600 0.006 0.000 0.979 82 E CA 1.177 57.575 56.400 -0.004 0.000 0.814 82 E CB 0.150 29.821 29.700 -0.048 0.000 0.762 82 E HN 0.902 nan 8.360 nan 0.000 0.460 83 I N -2.432 118.127 120.570 -0.018 0.000 3.174 83 I HA 0.499 4.669 4.170 -0.000 0.000 0.313 83 I C -1.366 174.788 176.117 0.062 0.000 1.155 83 I CA -1.276 60.017 61.300 -0.011 0.000 0.977 83 I CB 2.257 40.123 38.000 -0.225 0.000 1.248 83 I HN -0.319 nan 8.210 nan 0.000 0.453 84 K N 2.498 122.969 120.400 0.118 0.000 2.464 84 K HA 0.482 4.802 4.320 -0.000 0.000 0.253 84 K C -0.139 176.535 176.600 0.124 0.000 0.933 84 K CA -0.810 55.542 56.287 0.109 0.000 0.801 84 K CB 2.967 35.530 32.500 0.106 0.000 1.271 84 K HN 0.594 nan 8.250 nan 0.000 0.430 85 L N 0.989 122.267 121.223 0.091 0.000 2.376 85 L HA -0.132 4.208 4.340 -0.000 0.000 0.219 85 L C 1.955 178.852 176.870 0.045 0.000 1.133 85 L CA 1.150 56.026 54.840 0.060 0.000 0.816 85 L CB -0.271 41.771 42.059 -0.029 0.000 0.933 85 L HN 0.756 nan 8.230 nan 0.000 0.449 86 S N -2.580 113.156 115.700 0.060 0.000 2.561 86 S HA -0.020 4.449 4.470 -0.000 0.000 0.225 86 S C 0.607 175.261 174.600 0.090 0.000 0.977 86 S CA -0.239 57.993 58.200 0.054 0.000 0.926 86 S CB -0.408 62.823 63.200 0.052 0.000 0.769 86 S HN 0.224 nan 8.310 nan 0.000 0.533 87 D N 4.108 124.592 120.400 0.140 0.000 2.424 87 D HA 0.272 4.912 4.640 -0.000 0.000 0.244 87 D C -2.558 173.849 176.300 0.178 0.000 1.134 87 D CA -1.476 52.631 54.000 0.179 0.000 0.881 87 D CB 0.700 41.718 40.800 0.363 0.000 1.191 87 D HN 0.171 nan 8.370 nan 0.000 0.445 88 P HA -0.001 nan 4.420 nan 0.000 0.266 88 P C 0.819 178.232 177.300 0.189 0.000 1.195 88 P CA 0.019 63.213 63.100 0.157 0.000 0.768 88 P CB 0.542 32.302 31.700 0.100 0.000 0.838 89 T N 0.926 115.629 114.554 0.250 0.000 2.699 89 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 89 T C 1.683 176.474 174.700 0.152 0.000 1.036 89 T CA 2.427 64.674 62.100 0.245 0.000 1.147 89 T CB -1.046 67.987 68.868 0.274 0.000 0.862 89 T HN 0.625 nan 8.240 nan 0.000 0.446 90 T N 0.410 115.017 114.554 0.088 0.000 2.962 90 T HA -0.033 4.317 4.350 -0.000 0.000 0.270 90 T C 1.778 176.454 174.700 -0.040 0.000 1.088 90 T CA 1.168 63.273 62.100 0.008 0.000 1.127 90 T CB -0.262 68.609 68.868 0.004 0.000 0.883 90 T HN 0.402 nan 8.240 nan 0.000 0.493 91 K N 0.283 120.607 120.400 -0.127 0.000 2.103 91 K HA -0.132 4.187 4.320 -0.000 0.000 0.207 91 K C 1.368 177.628 176.600 -0.566 0.000 1.048 91 K CA 1.459 57.515 56.287 -0.385 0.000 0.930 91 K CB -0.244 31.908 32.500 -0.581 0.000 0.716 91 K HN 0.590 nan 8.250 nan 0.000 0.444 92 Y N -2.690 117.646 120.300 0.060 0.000 2.458 92 Y HA 0.071 4.620 4.550 -0.000 0.000 0.254 92 Y C 0.290 176.247 175.900 0.095 0.000 1.120 92 Y CA -0.613 57.511 58.100 0.041 0.000 1.282 92 Y CB 0.605 39.062 38.460 -0.004 0.000 1.109 92 Y HN 0.133 nan 8.280 nan 0.000 0.526 93 W N 2.563 123.846 121.300 -0.028 0.000 2.291 93 W HA 0.399 5.059 4.660 -0.000 0.000 0.288 93 W C -2.501 173.959 176.519 -0.098 0.000 0.976 93 W CA -3.805 53.494 57.345 -0.077 0.000 1.744 93 W CB 0.842 30.213 29.460 -0.148 0.000 1.815 93 W HN -0.102 nan 8.180 nan 0.000 0.396 94 P HA -0.258 nan 4.420 nan 0.000 0.217 94 P C 1.329 178.591 177.300 -0.063 0.000 1.148 94 P CA 1.912 65.022 63.100 0.018 0.000 0.828 94 P CB 0.298 32.016 31.700 0.030 0.000 0.783 95 E N -0.949 119.205 120.200 -0.077 0.000 2.333 95 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 95 E C 0.525 176.823 176.600 -0.503 0.000 1.007 95 E CA 0.161 56.426 56.400 -0.225 0.000 0.845 95 E CB -0.633 28.998 29.700 -0.114 0.000 0.766 95 E HN 0.032 nan 8.360 nan 0.000 0.507 96 L N 1.557 122.338 121.223 -0.737 0.000 2.387 96 L HA 0.154 4.494 4.340 -0.000 0.000 0.267 96 L C 0.580 177.214 176.870 -0.394 0.000 1.197 96 L CA 0.495 54.849 54.840 -0.811 0.000 1.070 96 L CB 0.258 41.637 42.059 -1.132 0.000 1.349 96 L HN 0.081 nan 8.230 nan 0.000 0.422 97 T N -0.159 114.250 114.554 -0.242 0.000 3.023 97 T HA 0.436 4.786 4.350 -0.000 0.000 0.253 97 T C 0.835 175.543 174.700 0.014 0.000 1.038 97 T CA 0.224 62.273 62.100 -0.086 0.000 0.962 97 T CB 0.117 68.941 68.868 -0.073 0.000 1.018 97 T HN 0.507 nan 8.240 nan 0.000 0.521 98 A N 2.616 125.475 122.820 0.065 0.000 2.445 98 A HA 0.381 4.701 4.320 -0.000 0.000 0.242 98 A C 1.624 179.331 177.584 0.205 0.000 1.075 98 A CA -0.242 51.883 52.037 0.145 0.000 0.777 98 A CB 0.374 19.498 19.000 0.205 0.000 1.013 98 A HN 0.594 nan 8.150 nan 0.000 0.493 99 K N 1.188 121.652 120.400 0.107 0.000 2.209 99 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 99 K C 1.407 178.042 176.600 0.059 0.000 1.048 99 K CA 1.486 57.818 56.287 0.074 0.000 0.940 99 K CB -0.092 32.422 32.500 0.025 0.000 0.729 99 K HN 0.795 nan 8.250 nan 0.000 0.451 100 Q N 0.445 120.251 119.800 0.010 0.000 2.364 100 Q HA -0.156 4.184 4.340 -0.000 0.000 0.207 100 Q C 0.892 176.790 176.000 -0.170 0.000 0.970 100 Q CA 1.142 56.857 55.803 -0.147 0.000 0.888 100 Q CB -0.454 28.086 28.738 -0.329 0.000 0.951 100 Q HN 0.587 nan 8.270 nan 0.000 0.469 101 W N 1.715 123.069 121.300 0.090 0.000 2.905 101 W HA 0.191 4.851 4.660 -0.000 0.000 0.251 101 W C 0.532 177.111 176.519 0.100 0.000 1.305 101 W CA -0.546 56.874 57.345 0.124 0.000 1.465 101 W CB 0.090 29.602 29.460 0.087 0.000 1.122 101 W HN -0.007 nan 8.180 nan 0.000 0.659 102 N N 0.971 119.804 118.700 0.221 0.000 2.434 102 N HA 0.123 4.863 4.740 -0.000 0.000 0.268 102 N C 1.048 176.643 175.510 0.141 0.000 1.256 102 N CA 1.727 54.871 53.050 0.158 0.000 0.914 102 N CB 0.685 39.232 38.487 0.100 0.000 1.088 102 N HN 0.313 nan 8.380 nan 0.000 0.478 103 G N 2.630 111.535 108.800 0.175 0.000 2.179 103 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 103 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 103 G C 0.154 175.224 174.900 0.284 0.000 0.990 103 G CA -0.465 44.749 45.100 0.190 0.000 0.646 103 G HN 0.565 nan 8.290 nan 0.000 0.517 104 I N 3.049 123.807 120.570 0.313 0.000 2.304 104 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 104 I C 1.123 177.522 176.117 0.470 0.000 1.018 104 I CA 0.044 61.613 61.300 0.449 0.000 1.260 104 I CB 1.204 39.405 38.000 0.336 0.000 1.390 104 I HN 0.290 nan 8.210 nan 0.000 0.475 105 T N 2.916 117.760 114.554 0.482 0.000 2.923 105 T HA 0.453 4.803 4.350 -0.000 0.000 0.281 105 T C 1.224 176.035 174.700 0.185 0.000 0.995 105 T CA -0.865 61.356 62.100 0.203 0.000 0.985 105 T CB 1.480 70.336 68.868 -0.020 0.000 1.114 105 T HN 0.418 nan 8.240 nan 0.000 0.548 106 L N 0.316 121.648 121.223 0.182 0.000 2.127 106 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 106 L C 2.544 179.426 176.870 0.020 0.000 1.089 106 L CA 0.915 55.888 54.840 0.222 0.000 0.757 106 L CB -0.791 41.452 42.059 0.307 0.000 0.899 106 L HN 0.603 nan 8.230 nan 0.000 0.434 107 L N -0.251 120.918 121.223 -0.090 0.000 2.012 107 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 107 L C 2.397 179.217 176.870 -0.083 0.000 1.073 107 L CA 1.996 56.719 54.840 -0.194 0.000 0.748 107 L CB -0.687 41.265 42.059 -0.178 0.000 0.891 107 L HN 0.243 nan 8.230 nan 0.000 0.431 108 H N -1.050 118.082 119.070 0.103 0.000 2.319 108 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 108 H C 2.258 177.579 175.328 -0.012 0.000 1.092 108 H CA 1.724 57.820 56.048 0.081 0.000 1.302 108 H CB -0.211 29.623 29.762 0.119 0.000 1.373 108 H HN 0.320 nan 8.280 nan 0.000 0.497 109 L N 0.189 121.497 121.223 0.142 0.000 2.017 109 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 109 L C 2.852 179.643 176.870 -0.132 0.000 1.073 109 L CA 0.878 55.766 54.840 0.080 0.000 0.745 109 L CB -0.541 41.637 42.059 0.198 0.000 0.894 109 L HN 0.360 nan 8.230 nan 0.000 0.432 110 A N -0.240 122.335 122.820 -0.408 0.000 2.019 110 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 110 A C 2.110 179.271 177.584 -0.705 0.000 1.164 110 A CA 2.090 53.646 52.037 -0.802 0.000 0.644 110 A CB -0.660 17.477 19.000 -1.439 0.000 0.805 110 A HN 0.533 nan 8.150 nan 0.000 0.449 111 T N -6.531 107.706 114.554 -0.527 0.000 3.129 111 T HA 0.324 4.674 4.350 -0.000 0.000 0.267 111 T C 0.235 174.649 174.700 -0.476 0.000 1.018 111 T CA 0.252 62.050 62.100 -0.503 0.000 0.903 111 T CB -0.474 68.413 68.868 0.032 0.000 1.067 111 T HN 0.715 nan 8.240 nan 0.000 0.549 112 Y N 0.886 121.163 120.300 -0.038 0.000 4.272 112 Y HA -0.253 4.297 4.550 -0.000 0.000 0.232 112 Y C 1.164 177.015 175.900 -0.082 0.000 1.149 112 Y CA 0.485 58.559 58.100 -0.042 0.000 1.961 112 Y CB -3.173 35.275 38.460 -0.021 0.000 1.611 112 Y HN 0.602 nan 8.280 nan 0.000 0.682 113 T N -4.285 110.238 114.554 -0.052 0.000 3.215 113 T HA 0.699 5.049 4.350 -0.000 0.000 0.271 113 T C 1.421 176.056 174.700 -0.108 0.000 1.012 113 T CA 0.164 62.147 62.100 -0.194 0.000 0.899 113 T CB 0.571 69.058 68.868 -0.636 0.000 1.089 113 T HN 0.507 nan 8.240 nan 0.000 0.552 114 A N 1.295 124.123 122.820 0.014 0.000 2.119 114 A HA 0.569 4.889 4.320 -0.000 0.000 0.217 114 A C 1.850 179.483 177.584 0.082 0.000 1.153 114 A CA 0.567 52.602 52.037 -0.003 0.000 0.692 114 A CB -0.809 18.191 19.000 0.000 0.000 0.799 114 A HN 1.520 nan 8.150 nan 0.000 0.458 115 G N -2.825 106.101 108.800 0.209 0.000 2.337 115 G HA2 0.403 4.363 3.960 -0.000 0.000 0.134 115 G HA3 0.403 4.363 3.960 -0.000 0.000 0.134 115 G C 0.979 176.203 174.900 0.541 0.000 1.052 115 G CA 0.312 45.651 45.100 0.398 0.000 0.737 115 G HN 2.001 nan 8.290 nan 0.000 0.485 116 G N -0.976 108.163 108.800 0.564 0.000 2.167 116 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.194 116 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.194 116 G C 0.466 175.636 174.900 0.449 0.000 1.027 116 G CA 0.022 45.407 45.100 0.474 0.000 0.717 116 G HN 1.329 nan 8.290 nan 0.000 0.501 117 L N 1.687 123.023 121.223 0.189 0.000 2.514 117 L HA 0.238 4.577 4.340 -0.000 0.000 0.280 117 L C -0.799 176.141 176.870 0.117 0.000 1.223 117 L CA -1.115 53.636 54.840 -0.148 0.000 0.864 117 L CB 0.380 42.263 42.059 -0.294 0.000 1.118 117 L HN 0.126 nan 8.230 nan 0.000 0.494 118 P HA 0.002 nan 4.420 nan 0.000 0.276 118 P C 0.494 177.882 177.300 0.145 0.000 1.244 118 P CA -0.603 62.612 63.100 0.192 0.000 0.801 118 P CB 1.151 32.995 31.700 0.241 0.000 1.006 119 L N 0.646 121.943 121.223 0.123 0.000 2.013 119 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 119 L C 0.843 177.762 176.870 0.081 0.000 1.073 119 L CA 2.082 56.980 54.840 0.097 0.000 0.753 119 L CB -0.699 41.423 42.059 0.105 0.000 0.890 119 L HN 0.358 nan 8.230 nan 0.000 0.432 120 Q N -0.341 119.500 119.800 0.069 0.000 2.306 120 Q HA 0.385 4.725 4.340 -0.000 0.000 0.265 120 Q C -0.754 175.230 176.000 -0.027 0.000 1.022 120 Q CA -0.883 54.941 55.803 0.035 0.000 0.853 120 Q CB 1.952 30.695 28.738 0.007 0.000 1.327 120 Q HN -0.031 nan 8.270 nan 0.000 0.449 121 V N 3.552 123.410 119.914 -0.093 0.000 2.529 121 V HA 0.077 4.197 4.120 -0.000 0.000 0.292 121 V C -1.937 173.958 176.094 -0.332 0.000 1.028 121 V CA -0.968 61.096 62.300 -0.393 0.000 1.074 121 V CB -0.021 31.606 31.823 -0.326 0.000 0.958 121 V HN 0.593 nan 8.190 nan 0.000 0.481 122 P HA 0.035 nan 4.420 nan 0.000 0.265 122 P C 0.441 177.646 177.300 -0.158 0.000 1.187 122 P CA 0.007 62.973 63.100 -0.223 0.000 0.766 122 P CB 0.481 32.061 31.700 -0.199 0.000 0.820 123 D N 1.537 121.891 120.400 -0.078 0.000 2.221 123 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 123 D C 1.249 177.524 176.300 -0.041 0.000 0.982 123 D CA 1.364 55.338 54.000 -0.043 0.000 0.857 123 D CB -0.056 40.734 40.800 -0.016 0.000 0.934 123 D HN 0.484 nan 8.370 nan 0.000 0.475 124 E N -0.359 119.812 120.200 -0.047 0.000 2.347 124 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 124 E C 0.250 176.829 176.600 -0.036 0.000 1.008 124 E CA 0.031 56.413 56.400 -0.029 0.000 0.852 124 E CB 0.335 30.026 29.700 -0.016 0.000 0.783 124 E HN 0.023 nan 8.360 nan 0.000 0.505 125 V N 1.838 121.705 119.914 -0.079 0.000 2.427 125 V HA 0.053 4.173 4.120 -0.000 0.000 0.268 125 V C 0.855 176.922 176.094 -0.045 0.000 1.046 125 V CA 0.448 62.701 62.300 -0.077 0.000 0.970 125 V CB 1.116 32.823 31.823 -0.194 0.000 1.001 125 V HN 0.155 nan 8.190 nan 0.000 0.476 126 K N 2.268 122.663 120.400 -0.010 0.000 2.509 126 K HA 0.176 4.496 4.320 -0.000 0.000 0.205 126 K C 0.980 177.586 176.600 0.011 0.000 1.336 126 K CA 0.300 56.586 56.287 -0.001 0.000 0.912 126 K CB 0.334 32.837 32.500 0.004 0.000 1.568 126 K HN 0.673 nan 8.250 nan 0.000 0.475 127 S N 0.990 116.706 115.700 0.025 0.000 2.624 127 S HA 0.038 4.508 4.470 -0.000 0.000 0.263 127 S C 1.350 175.986 174.600 0.059 0.000 1.287 127 S CA -0.049 58.172 58.200 0.035 0.000 0.990 127 S CB 1.450 64.674 63.200 0.040 0.000 0.950 127 S HN 0.283 nan 8.310 nan 0.000 0.561 128 S N 1.371 117.106 115.700 0.058 0.000 2.383 128 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 128 S C 1.892 176.587 174.600 0.159 0.000 1.030 128 S CA 1.370 59.624 58.200 0.091 0.000 1.002 128 S CB -1.325 61.911 63.200 0.059 0.000 0.829 128 S HN 0.671 nan 8.310 nan 0.000 0.467 129 S N 2.218 117.991 115.700 0.122 0.000 2.370 129 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 129 S C 1.623 176.307 174.600 0.140 0.000 1.033 129 S CA 1.475 59.751 58.200 0.126 0.000 1.011 129 S CB -0.662 62.589 63.200 0.084 0.000 0.852 129 S HN 0.570 nan 8.310 nan 0.000 0.457 130 D N 1.045 121.516 120.400 0.119 0.000 2.117 130 D HA -0.052 4.588 4.640 -0.000 0.000 0.197 130 D C 1.900 178.310 176.300 0.183 0.000 0.987 130 D CA 0.599 54.669 54.000 0.117 0.000 0.829 130 D CB -0.439 40.401 40.800 0.067 0.000 0.961 130 D HN 0.190 nan 8.370 nan 0.000 0.460 131 L N 0.568 121.923 121.223 0.219 0.000 2.046 131 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 131 L C 2.173 179.375 176.870 0.552 0.000 1.077 131 L CA 1.082 56.136 54.840 0.357 0.000 0.747 131 L CB -0.624 41.640 42.059 0.342 0.000 0.896 131 L HN 0.006 nan 8.230 nan 0.000 0.432 132 L N -0.317 121.205 121.223 0.499 0.000 2.012 132 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 132 L C 2.709 179.669 176.870 0.150 0.000 1.073 132 L CA 1.930 56.959 54.840 0.315 0.000 0.748 132 L CB -0.710 41.482 42.059 0.222 0.000 0.891 132 L HN 0.258 nan 8.230 nan 0.000 0.431 133 R N -1.654 118.946 120.500 0.167 0.000 2.091 133 R HA -0.241 4.099 4.340 -0.000 0.000 0.238 133 R C 2.316 178.717 176.300 0.169 0.000 1.136 133 R CA 1.988 58.166 56.100 0.130 0.000 0.959 133 R CB -0.594 29.781 30.300 0.125 0.000 0.856 133 R HN 0.478 nan 8.270 nan 0.000 0.437 134 F N 0.068 120.050 119.950 0.053 0.000 2.069 134 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 134 F C 1.454 177.290 175.800 0.060 0.000 1.113 134 F CA 1.564 59.559 58.000 -0.009 0.000 1.214 134 F CB -0.612 38.292 39.000 -0.159 0.000 0.978 134 F HN 0.018 nan 8.300 nan 0.000 0.474 135 Y N 0.469 120.736 120.300 -0.056 0.000 2.263 135 Y HA -0.153 4.397 4.550 -0.000 0.000 0.292 135 Y C 2.641 178.655 175.900 0.189 0.000 1.130 135 Y CA 1.453 59.522 58.100 -0.052 0.000 1.179 135 Y CB -0.975 37.432 38.460 -0.089 0.000 0.998 135 Y HN 0.122 nan 8.280 nan 0.000 0.532 136 Q N 0.153 120.045 119.800 0.152 0.000 2.170 136 Q HA -0.184 4.156 4.340 -0.000 0.000 0.203 136 Q C 1.387 177.500 176.000 0.188 0.000 0.976 136 Q CA 1.461 57.349 55.803 0.142 0.000 0.858 136 Q CB -0.518 28.221 28.738 0.001 0.000 0.907 136 Q HN 0.670 nan 8.270 nan 0.000 0.433 137 N N -0.926 117.856 118.700 0.136 0.000 2.424 137 N HA -0.054 4.686 4.740 -0.000 0.000 0.178 137 N C 0.013 175.564 175.510 0.069 0.000 1.060 137 N CA -0.378 52.723 53.050 0.084 0.000 0.901 137 N CB 0.156 38.687 38.487 0.073 0.000 0.979 137 N HN 0.169 nan 8.380 nan 0.000 0.451 138 W N 3.010 124.247 121.300 -0.104 0.000 2.264 138 W HA 0.026 4.686 4.660 -0.000 0.000 0.331 138 W C -0.577 175.856 176.519 -0.142 0.000 1.364 138 W CA 0.099 57.341 57.345 -0.172 0.000 1.253 138 W CB 0.523 29.826 29.460 -0.262 0.000 1.215 138 W HN -0.046 nan 8.180 nan 0.000 0.561 139 Q N 8.284 127.485 119.800 -0.998 0.000 2.331 139 Q HA 0.342 4.682 4.340 -0.000 0.000 0.267 139 Q C -2.085 173.011 176.000 -1.506 0.000 1.006 139 Q CA -2.064 53.094 55.803 -1.076 0.000 0.818 139 Q CB 1.467 29.879 28.738 -0.544 0.000 1.276 139 Q HN 0.390 nan 8.270 nan 0.000 0.450 140 P HA 0.112 nan 4.420 nan 0.000 0.271 140 P C -0.178 176.742 177.300 -0.632 0.000 1.218 140 P CA 0.012 62.486 63.100 -1.044 0.000 0.780 140 P CB 0.952 32.219 31.700 -0.721 0.000 0.901 141 A N 2.550 125.006 122.820 -0.606 0.000 2.016 141 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 141 A C 0.438 177.385 177.584 -1.062 0.000 1.162 141 A CA 0.780 52.213 52.037 -1.008 0.000 0.662 141 A CB -0.277 17.689 19.000 -1.724 0.000 0.812 141 A HN 0.590 nan 8.150 nan 0.000 0.450 142 W N -2.931 118.322 121.300 -0.080 0.000 3.075 142 W HA 0.637 5.296 4.660 -0.000 0.000 0.334 142 W C -0.032 176.431 176.519 -0.094 0.000 1.243 142 W CA -1.212 56.089 57.345 -0.073 0.000 1.170 142 W CB 0.990 30.420 29.460 -0.050 0.000 1.452 142 W HN 0.148 nan 8.180 nan 0.000 0.572 143 A N 2.339 125.252 122.820 0.154 0.000 2.406 143 A HA 0.561 4.881 4.320 -0.000 0.000 0.243 143 A C -2.239 175.350 177.584 0.007 0.000 1.082 143 A CA -0.840 51.222 52.037 0.041 0.000 0.786 143 A CB -0.731 18.291 19.000 0.037 0.000 1.029 143 A HN 0.140 nan 8.150 nan 0.000 0.495 144 P HA 0.282 nan 4.420 nan 0.000 0.268 144 P C 0.772 177.918 177.300 -0.257 0.000 1.205 144 P CA 1.690 64.596 63.100 -0.325 0.000 0.771 144 P CB 0.514 31.948 31.700 -0.444 0.000 0.858 145 G N 1.591 110.186 108.800 -0.342 0.000 2.176 145 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 145 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 145 G C 0.636 175.485 174.900 -0.086 0.000 1.024 145 G CA 0.671 45.734 45.100 -0.061 0.000 0.755 145 G HN 0.697 nan 8.290 nan 0.000 0.507 146 T N -5.126 109.321 114.554 -0.178 0.000 3.028 146 T HA 0.445 4.795 4.350 -0.000 0.000 0.250 146 T C 0.541 175.077 174.700 -0.274 0.000 0.979 146 T CA 0.854 62.872 62.100 -0.137 0.000 1.004 146 T CB 0.653 69.487 68.868 -0.057 0.000 1.120 146 T HN 0.290 nan 8.240 nan 0.000 0.482 147 Q N 0.866 120.446 119.800 -0.366 0.000 2.359 147 Q HA 0.485 4.825 4.340 -0.000 0.000 0.274 147 Q C -1.407 174.372 176.000 -0.368 0.000 1.074 147 Q CA -0.529 54.970 55.803 -0.506 0.000 0.810 147 Q CB 3.177 31.267 28.738 -1.080 0.000 1.342 147 Q HN 0.398 nan 8.270 nan 0.000 0.427 148 R N 2.069 122.396 120.500 -0.289 0.000 2.265 148 R HA 0.551 4.891 4.340 -0.000 0.000 0.319 148 R C -1.214 175.060 176.300 -0.043 0.000 1.006 148 R CA -0.559 55.467 56.100 -0.124 0.000 0.880 148 R CB 0.507 30.776 30.300 -0.052 0.000 1.077 148 R HN 0.469 nan 8.270 nan 0.000 0.454 149 L N 5.932 127.204 121.223 0.081 0.000 2.415 149 L HA 0.270 4.610 4.340 -0.000 0.000 0.268 149 L C -1.391 175.537 176.870 0.097 0.000 0.984 149 L CA -0.692 54.224 54.840 0.127 0.000 0.853 149 L CB 1.021 43.238 42.059 0.264 0.000 1.215 149 L HN 0.622 nan 8.230 nan 0.000 0.419 150 Y N 4.725 124.918 120.300 -0.179 0.000 2.810 150 Y HA 0.370 4.919 4.550 -0.000 0.000 0.332 150 Y C 0.081 175.817 175.900 -0.274 0.000 1.243 150 Y CA 0.946 58.719 58.100 -0.545 0.000 1.537 150 Y CB 0.530 38.728 38.460 -0.437 0.000 1.265 150 Y HN 0.801 nan 8.280 nan 0.000 0.572 151 A N 5.780 128.191 122.820 -0.683 0.000 2.480 151 A HA 0.266 4.586 4.320 -0.000 0.000 0.289 151 A C -0.023 177.477 177.584 -0.139 0.000 1.044 151 A CA -0.886 51.035 52.037 -0.194 0.000 0.761 151 A CB 0.662 19.692 19.000 0.050 0.000 1.289 151 A HN 0.816 nan 8.150 nan 0.000 0.401 152 N N 1.349 120.012 118.700 -0.060 0.000 2.149 152 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 152 N C 2.066 177.652 175.510 0.127 0.000 1.019 152 N CA 2.043 55.133 53.050 0.066 0.000 0.857 152 N CB -0.149 38.441 38.487 0.172 0.000 0.997 152 N HN 0.872 nan 8.380 nan 0.000 0.426 153 S N -0.835 114.961 115.700 0.159 0.000 2.474 153 S HA 0.007 4.477 4.470 -0.000 0.000 0.235 153 S C 2.038 176.823 174.600 0.308 0.000 0.997 153 S CA 1.075 59.444 58.200 0.282 0.000 0.949 153 S CB -0.055 63.348 63.200 0.338 0.000 0.766 153 S HN 0.226 nan 8.310 nan 0.000 0.517 154 S N 1.110 116.933 115.700 0.205 0.000 2.324 154 S HA 0.253 4.723 4.470 -0.000 0.000 0.210 154 S C 1.644 176.334 174.600 0.150 0.000 1.027 154 S CA 0.456 58.762 58.200 0.176 0.000 0.945 154 S CB -0.568 62.745 63.200 0.189 0.000 0.908 154 S HN 0.563 nan 8.310 nan 0.000 0.496 155 I N 1.313 121.971 120.570 0.146 0.000 2.493 155 I HA -0.013 4.157 4.170 -0.000 0.000 0.254 155 I C 2.135 178.331 176.117 0.131 0.000 1.160 155 I CA 1.147 62.521 61.300 0.124 0.000 1.445 155 I CB -0.646 37.410 38.000 0.094 0.000 1.086 155 I HN 0.487 nan 8.210 nan 0.000 0.433 156 G N 1.105 109.951 108.800 0.077 0.000 2.446 156 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 156 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 156 G C 1.536 176.395 174.900 -0.067 0.000 1.168 156 G CA 0.978 46.061 45.100 -0.030 0.000 0.771 156 G HN 0.385 nan 8.290 nan 0.000 0.551 157 L N -0.283 120.950 121.223 0.017 0.000 2.056 157 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 157 L C 2.447 179.278 176.870 -0.064 0.000 1.078 157 L CA 1.519 56.311 54.840 -0.081 0.000 0.749 157 L CB -0.776 41.188 42.059 -0.159 0.000 0.901 157 L HN 0.232 nan 8.230 nan 0.000 0.433 158 F N 0.476 120.373 119.950 -0.088 0.000 2.065 158 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 158 F C 2.180 177.926 175.800 -0.090 0.000 1.112 158 F CA 1.980 59.934 58.000 -0.077 0.000 1.212 158 F CB -1.077 37.885 39.000 -0.063 0.000 0.975 158 F HN 0.126 nan 8.300 nan 0.000 0.476 159 G N -0.472 108.194 108.800 -0.224 0.000 2.418 159 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 159 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 159 G C 1.829 176.564 174.900 -0.275 0.000 1.158 159 G CA 0.959 45.893 45.100 -0.277 0.000 0.771 159 G HN 0.682 nan 8.290 nan 0.000 0.545 160 A N 0.565 123.178 122.820 -0.346 0.000 1.902 160 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 160 A C 2.424 179.836 177.584 -0.286 0.000 1.181 160 A CA 1.364 53.219 52.037 -0.304 0.000 0.623 160 A CB -0.375 18.416 19.000 -0.349 0.000 0.818 160 A HN 0.364 nan 8.150 nan 0.000 0.443 161 L N -1.113 119.919 121.223 -0.318 0.000 2.179 161 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 161 L C 2.985 179.607 176.870 -0.413 0.000 1.096 161 L CA 0.750 55.415 54.840 -0.291 0.000 0.779 161 L CB -0.549 41.409 42.059 -0.169 0.000 0.922 161 L HN 0.415 nan 8.230 nan 0.000 0.443 162 A N 0.387 122.885 122.820 -0.536 0.000 2.019 162 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 162 A C 2.129 179.478 177.584 -0.392 0.000 1.164 162 A CA 1.804 53.479 52.037 -0.604 0.000 0.644 162 A CB -0.658 17.822 19.000 -0.867 0.000 0.805 162 A HN 0.345 nan 8.150 nan 0.000 0.449 163 V N -3.871 115.879 119.914 -0.274 0.000 3.649 163 V HA 0.080 4.200 4.120 -0.000 0.000 0.275 163 V C 1.650 177.647 176.094 -0.162 0.000 1.281 163 V CA 0.774 62.960 62.300 -0.190 0.000 1.143 163 V CB -0.404 31.342 31.823 -0.128 0.000 0.892 163 V HN 0.276 nan 8.190 nan 0.000 0.441 164 K N 1.541 121.834 120.400 -0.179 0.000 2.009 164 K HA -0.065 4.255 4.320 -0.000 0.000 0.210 164 K C 0.204 176.772 176.600 -0.053 0.000 1.049 164 K CA 2.081 58.308 56.287 -0.099 0.000 0.929 164 K CB -1.781 30.693 32.500 -0.043 0.000 0.714 164 K HN 0.467 nan 8.250 nan 0.000 0.440 165 P HA -0.125 nan 4.420 nan 0.000 0.219 165 P C 1.455 178.737 177.300 -0.030 0.000 1.146 165 P CA 1.500 64.600 63.100 -0.001 0.000 0.808 165 P CB -0.094 31.611 31.700 0.008 0.000 0.779 166 S N -1.494 114.167 115.700 -0.066 0.000 2.447 166 S HA 0.030 4.500 4.470 -0.000 0.000 0.233 166 S C 1.942 176.508 174.600 -0.057 0.000 1.006 166 S CA 1.053 59.213 58.200 -0.066 0.000 0.957 166 S CB -1.561 61.583 63.200 -0.094 0.000 0.773 166 S HN 0.299 nan 8.310 nan 0.000 0.507 167 G N 0.761 109.528 108.800 -0.055 0.000 2.189 167 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.267 167 G C 0.021 174.886 174.900 -0.059 0.000 0.975 167 G CA 0.571 45.642 45.100 -0.048 0.000 0.644 167 G HN 0.584 nan 8.290 nan 0.000 0.537 168 L N 1.787 122.965 121.223 -0.076 0.000 2.395 168 L HA 0.508 4.848 4.340 -0.000 0.000 0.269 168 L C 1.579 178.398 176.870 -0.085 0.000 1.133 168 L CA -0.125 54.664 54.840 -0.086 0.000 0.812 168 L CB 1.193 43.184 42.059 -0.114 0.000 1.125 168 L HN 0.427 nan 8.230 nan 0.000 0.452 169 S N 1.070 116.726 115.700 -0.073 0.000 2.576 169 S HA -0.041 4.429 4.470 -0.000 0.000 0.272 169 S C 0.908 175.470 174.600 -0.062 0.000 1.352 169 S CA -0.311 57.858 58.200 -0.051 0.000 1.021 169 S CB 0.355 63.533 63.200 -0.037 0.000 0.887 169 S HN 0.545 nan 8.310 nan 0.000 0.542 170 F N 1.333 121.189 119.950 -0.157 0.000 2.091 170 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 170 F C 2.490 178.175 175.800 -0.191 0.000 1.103 170 F CA 2.313 60.204 58.000 -0.181 0.000 1.228 170 F CB -0.472 38.421 39.000 -0.179 0.000 0.984 170 F HN 0.946 nan 8.300 nan 0.000 0.477 171 E N -0.595 119.559 120.200 -0.077 0.000 2.051 171 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 171 E C 2.193 178.637 176.600 -0.260 0.000 0.991 171 E CA 1.346 57.649 56.400 -0.162 0.000 0.799 171 E CB -0.120 29.570 29.700 -0.017 0.000 0.748 171 E HN 0.395 nan 8.360 nan 0.000 0.449 172 Q N -0.108 119.581 119.800 -0.185 0.000 2.119 172 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 172 Q C 2.065 177.909 176.000 -0.259 0.000 0.972 172 Q CA 1.264 56.957 55.803 -0.182 0.000 0.847 172 Q CB -0.321 28.348 28.738 -0.115 0.000 0.903 172 Q HN 0.373 nan 8.270 nan 0.000 0.433 173 A N 0.659 123.295 122.820 -0.306 0.000 1.877 173 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 173 A C 2.158 179.460 177.584 -0.471 0.000 1.186 173 A CA 1.907 53.738 52.037 -0.343 0.000 0.620 173 A CB -0.499 18.295 19.000 -0.345 0.000 0.822 173 A HN 0.338 nan 8.150 nan 0.000 0.443 174 M N -0.774 118.406 119.600 -0.700 0.000 2.086 174 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 174 M C 2.201 177.908 176.300 -0.989 0.000 1.067 174 M CA 2.412 57.154 55.300 -0.930 0.000 1.116 174 M CB -0.516 31.362 32.600 -1.204 0.000 1.348 174 M HN 0.479 nan 8.290 nan 0.000 0.407 175 Q N -0.640 118.707 119.800 -0.755 0.000 2.050 175 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 175 Q C 1.893 177.712 176.000 -0.303 0.000 0.980 175 Q CA 2.942 58.451 55.803 -0.490 0.000 0.840 175 Q CB -0.558 28.016 28.738 -0.275 0.000 0.898 175 Q HN 0.718 nan 8.270 nan 0.000 0.424 176 T N -2.962 111.434 114.554 -0.263 0.000 3.035 176 T HA 0.115 4.465 4.350 -0.000 0.000 0.259 176 T C 1.630 176.241 174.700 -0.148 0.000 1.078 176 T CA 0.530 62.529 62.100 -0.168 0.000 1.132 176 T CB -0.016 68.770 68.868 -0.137 0.000 0.900 176 T HN 0.232 nan 8.240 nan 0.000 0.480 177 R N -0.034 120.349 120.500 -0.195 0.000 2.265 177 R HA 0.382 4.722 4.340 -0.000 0.000 0.194 177 R C 1.496 177.740 176.300 -0.094 0.000 0.931 177 R CA 0.257 56.274 56.100 -0.138 0.000 1.032 177 R CB 0.408 30.616 30.300 -0.153 0.000 0.980 177 R HN 0.289 nan 8.270 nan 0.000 0.497 178 V N -1.035 118.794 119.914 -0.142 0.000 3.134 178 V HA 0.029 4.149 4.120 -0.000 0.000 0.222 178 V C 1.353 177.517 176.094 0.116 0.000 1.247 178 V CA 0.452 62.751 62.300 -0.002 0.000 1.281 178 V CB -0.292 31.515 31.823 -0.027 0.000 1.169 178 V HN -0.024 nan 8.190 nan 0.000 0.512 179 F N 1.478 121.344 119.950 -0.141 0.000 2.102 179 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 179 F C 2.599 178.307 175.800 -0.153 0.000 1.105 179 F CA 1.401 59.284 58.000 -0.195 0.000 1.239 179 F CB -1.164 37.611 39.000 -0.374 0.000 0.991 179 F HN 0.198 nan 8.300 nan 0.000 0.474 180 Q N -0.217 119.605 119.800 0.036 0.000 2.046 180 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 180 Q C -0.313 175.685 176.000 -0.003 0.000 0.975 180 Q CA 1.689 57.477 55.803 -0.025 0.000 0.836 180 Q CB -1.484 27.217 28.738 -0.062 0.000 0.896 180 Q HN 0.264 nan 8.270 nan 0.000 0.428 181 P HA -0.154 nan 4.420 nan 0.000 0.218 181 P C 0.657 177.984 177.300 0.045 0.000 1.148 181 P CA 1.230 64.342 63.100 0.020 0.000 0.822 181 P CB 0.035 31.748 31.700 0.023 0.000 0.784 182 L N -1.435 119.840 121.223 0.087 0.000 2.592 182 L HA 0.157 4.497 4.340 -0.000 0.000 0.227 182 L C 0.386 177.302 176.870 0.076 0.000 1.127 182 L CA 0.073 54.980 54.840 0.113 0.000 0.884 182 L CB -0.643 41.552 42.059 0.228 0.000 1.065 182 L HN -0.044 nan 8.230 nan 0.000 0.457 183 K N 0.833 121.252 120.400 0.031 0.000 3.096 183 K HA -0.167 4.153 4.320 -0.000 0.000 0.266 183 K C -0.279 176.305 176.600 -0.027 0.000 1.043 183 K CA 0.369 56.651 56.287 -0.009 0.000 0.758 183 K CB -1.818 30.683 32.500 0.002 0.000 1.260 183 K HN 0.332 nan 8.250 nan 0.000 0.481 184 L N 1.327 122.518 121.223 -0.053 0.000 2.387 184 L HA 0.123 4.463 4.340 -0.000 0.000 0.267 184 L C 0.996 177.681 176.870 -0.309 0.000 1.197 184 L CA -0.456 54.293 54.840 -0.151 0.000 1.070 184 L CB 0.054 41.986 42.059 -0.212 0.000 1.349 184 L HN 0.160 nan 8.230 nan 0.000 0.422 185 N N 0.287 118.824 118.700 -0.272 0.000 2.398 185 N HA -0.012 4.728 4.740 -0.000 0.000 0.188 185 N C 0.608 175.684 175.510 -0.724 0.000 1.122 185 N CA 0.579 53.362 53.050 -0.445 0.000 0.866 185 N CB 0.252 38.511 38.487 -0.380 0.000 0.970 185 N HN 0.502 nan 8.380 nan 0.000 0.462 186 H N -0.989 117.962 119.070 -0.198 0.000 2.651 186 H HA 0.274 4.830 4.556 -0.000 0.000 0.241 186 H C -0.375 174.817 175.328 -0.226 0.000 1.225 186 H CA -0.098 55.902 56.048 -0.080 0.000 0.942 186 H CB 0.412 30.166 29.762 -0.013 0.000 1.996 186 H HN -0.139 nan 8.280 nan 0.000 0.600 187 T N 0.785 114.968 114.554 -0.619 0.000 2.824 187 T HA 0.367 4.717 4.350 -0.000 0.000 0.282 187 T C -0.771 173.185 174.700 -1.240 0.000 0.993 187 T CA -0.436 61.132 62.100 -0.886 0.000 0.967 187 T CB 1.502 69.622 68.868 -1.246 0.000 0.960 187 T HN 0.228 nan 8.240 nan 0.000 0.441 188 W N 1.836 122.819 121.300 -0.528 0.000 3.256 188 W HA 0.515 5.175 4.660 0.000 0.000 0.324 188 W C 0.593 176.997 176.519 -0.192 0.000 1.196 188 W CA -0.814 56.371 57.345 -0.266 0.000 1.206 188 W CB 1.134 30.438 29.460 -0.260 0.000 1.385 188 W HN 0.512 nan 8.180 nan 0.000 0.522 189 I N 1.619 122.311 120.570 0.204 0.000 2.400 189 I HA -0.083 4.087 4.170 -0.000 0.000 0.248 189 I C 0.419 176.566 176.117 0.050 0.000 1.109 189 I CA 0.969 62.327 61.300 0.097 0.000 1.425 189 I CB -0.060 38.005 38.000 0.108 0.000 1.094 189 I HN 0.274 nan 8.210 nan 0.000 0.425 190 N N 1.174 119.936 118.700 0.103 0.000 2.479 190 N HA 0.247 4.987 4.740 -0.000 0.000 0.261 190 N C -0.875 174.540 175.510 -0.158 0.000 0.979 190 N CA -0.241 52.794 53.050 -0.025 0.000 0.930 190 N CB 2.549 41.027 38.487 -0.015 0.000 1.172 190 N HN -0.205 nan 8.380 nan 0.000 0.499 191 V N 4.840 124.568 119.914 -0.309 0.000 2.479 191 V HA 0.127 4.247 4.120 -0.000 0.000 0.281 191 V C -1.445 174.316 176.094 -0.554 0.000 1.031 191 V CA -0.778 61.197 62.300 -0.542 0.000 1.038 191 V CB 0.271 31.711 31.823 -0.639 0.000 0.981 191 V HN 0.517 nan 8.190 nan 0.000 0.478 192 P HA 0.313 nan 4.420 nan 0.000 0.276 192 P C -2.324 174.750 177.300 -0.376 0.000 1.252 192 P CA -1.936 60.798 63.100 -0.609 0.000 0.802 192 P CB 0.640 31.828 31.700 -0.853 0.000 1.035 193 P HA -0.193 nan 4.420 nan 0.000 0.216 193 P C 1.431 178.653 177.300 -0.129 0.000 1.154 193 P CA 2.233 65.246 63.100 -0.145 0.000 0.865 193 P CB -0.513 31.124 31.700 -0.105 0.000 0.789 194 A N -0.525 122.207 122.820 -0.148 0.000 2.121 194 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 194 A C 1.947 179.480 177.584 -0.085 0.000 1.154 194 A CA 1.362 53.343 52.037 -0.094 0.000 0.679 194 A CB -0.677 18.279 19.000 -0.073 0.000 0.795 194 A HN 0.108 nan 8.150 nan 0.000 0.458 195 E N -0.557 119.550 120.200 -0.155 0.000 2.476 195 E HA 0.011 4.361 4.350 -0.000 0.000 0.199 195 E C 1.267 177.817 176.600 -0.084 0.000 1.021 195 E CA 0.075 56.403 56.400 -0.119 0.000 0.907 195 E CB 0.033 29.610 29.700 -0.205 0.000 0.974 195 E HN 0.743 nan 8.360 nan 0.000 0.489 196 E N 1.385 121.541 120.200 -0.074 0.000 2.118 196 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 196 E C 1.972 178.586 176.600 0.024 0.000 0.992 196 E CA 1.211 57.609 56.400 -0.004 0.000 0.804 196 E CB -0.101 29.595 29.700 -0.007 0.000 0.741 196 E HN 0.232 nan 8.360 nan 0.000 0.458 197 K N 0.474 120.881 120.400 0.012 0.000 2.280 197 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 197 K C 1.240 177.857 176.600 0.029 0.000 1.047 197 K CA 1.223 57.526 56.287 0.026 0.000 0.942 197 K CB 0.032 32.543 32.500 0.020 0.000 0.739 197 K HN -0.011 nan 8.250 nan 0.000 0.457 198 N N -0.156 118.557 118.700 0.023 0.000 2.236 198 N HA -0.047 4.693 4.740 -0.000 0.000 0.196 198 N C -0.748 174.790 175.510 0.047 0.000 1.114 198 N CA 0.005 53.067 53.050 0.020 0.000 0.859 198 N CB 0.210 38.695 38.487 -0.003 0.000 0.982 198 N HN 0.175 nan 8.380 nan 0.000 0.493 199 Y N 2.949 123.166 120.300 -0.137 0.000 2.504 199 Y HA 0.426 4.976 4.550 -0.000 0.000 0.351 199 Y C 0.162 175.956 175.900 -0.176 0.000 0.988 199 Y CA -1.826 56.154 58.100 -0.200 0.000 1.239 199 Y CB -0.410 37.871 38.460 -0.297 0.000 1.128 199 Y HN -0.038 nan 8.280 nan 0.000 0.525 200 A N 6.109 128.970 122.820 0.068 0.000 2.483 200 A HA 0.104 4.424 4.320 -0.000 0.000 0.238 200 A C -0.497 177.083 177.584 -0.008 0.000 1.070 200 A CA -0.298 51.750 52.037 0.019 0.000 0.770 200 A CB 0.054 19.015 19.000 -0.065 0.000 1.008 200 A HN 0.876 nan 8.150 nan 0.000 0.497 201 W N 0.749 122.063 121.300 0.024 0.000 2.218 201 W HA 0.465 5.125 4.660 -0.000 0.000 0.326 201 W C 0.966 177.231 176.519 -0.423 0.000 1.276 201 W CA 0.602 57.779 57.345 -0.279 0.000 1.210 201 W CB 0.909 30.044 29.460 -0.540 0.000 1.143 201 W HN 0.928 nan 8.180 nan 0.000 0.563 202 G N 1.349 109.983 108.800 -0.278 0.000 2.476 202 G HA2 0.475 4.435 3.960 -0.000 0.000 0.286 202 G HA3 0.475 4.435 3.960 -0.000 0.000 0.286 202 G C -2.093 172.408 174.900 -0.664 0.000 1.177 202 G CA -0.493 44.177 45.100 -0.718 0.000 0.870 202 G HN 0.427 nan 8.290 nan 0.000 0.528 203 Y N -0.197 120.016 120.300 -0.144 0.000 2.338 203 Y HA 0.539 5.089 4.550 -0.000 0.000 0.333 203 Y C 0.450 176.340 175.900 -0.016 0.000 0.968 203 Y CA -0.800 57.271 58.100 -0.048 0.000 1.123 203 Y CB 2.242 40.681 38.460 -0.035 0.000 1.165 203 Y HN 0.525 nan 8.280 nan 0.000 0.452 204 R N 2.610 123.165 120.500 0.092 0.000 2.502 204 R HA 0.328 4.668 4.340 -0.000 0.000 0.300 204 R C -0.639 175.701 176.300 0.066 0.000 0.984 204 R CA -0.398 55.747 56.100 0.075 0.000 0.882 204 R CB 0.771 31.103 30.300 0.053 0.000 1.180 204 R HN 0.894 nan 8.270 nan 0.000 0.444 205 E N 2.794 123.032 120.200 0.063 0.000 2.360 205 E HA -0.271 4.079 4.350 -0.000 0.000 0.238 205 E C 0.564 177.194 176.600 0.050 0.000 1.186 205 E CA 0.797 57.224 56.400 0.046 0.000 0.719 205 E CB -1.113 28.606 29.700 0.031 0.000 1.236 205 E HN 1.183 nan 8.360 nan 0.000 0.386 206 G N -0.108 108.741 108.800 0.082 0.000 2.220 206 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.269 206 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.269 206 G C 0.224 175.211 174.900 0.145 0.000 0.977 206 G CA 1.008 46.165 45.100 0.096 0.000 0.634 206 G HN 0.300 nan 8.290 nan 0.000 0.539 207 K N 0.866 121.321 120.400 0.092 0.000 2.201 207 K HA 0.661 4.981 4.320 -0.000 0.000 0.278 207 K C 0.505 177.046 176.600 -0.099 0.000 1.027 207 K CA 0.021 56.310 56.287 0.003 0.000 0.909 207 K CB 1.645 34.124 32.500 -0.034 0.000 1.062 207 K HN 0.442 nan 8.250 nan 0.000 0.465 208 A N 2.630 125.280 122.820 -0.283 0.000 2.451 208 A HA 0.366 4.686 4.320 -0.000 0.000 0.266 208 A C -0.036 177.305 177.584 -0.406 0.000 1.119 208 A CA -0.396 51.243 52.037 -0.664 0.000 0.786 208 A CB -0.203 18.215 19.000 -0.971 0.000 1.061 208 A HN 0.548 nan 8.150 nan 0.000 0.503 209 V N 1.071 120.884 119.914 -0.168 0.000 2.971 209 V HA 0.680 4.800 4.120 -0.000 0.000 0.309 209 V C -0.738 175.475 176.094 0.198 0.000 1.130 209 V CA -0.838 61.495 62.300 0.054 0.000 0.964 209 V CB 1.192 33.040 31.823 0.041 0.000 1.029 209 V HN 0.958 nan 8.190 nan 0.000 0.427 210 H N 0.814 120.038 119.070 0.257 0.000 2.670 210 H HA 0.694 5.250 4.556 -0.000 0.000 0.361 210 H C -0.413 175.018 175.328 0.172 0.000 1.169 210 H CA -0.988 55.149 56.048 0.148 0.000 1.198 210 H CB 2.296 32.019 29.762 -0.065 0.000 1.700 210 H HN 0.787 nan 8.280 nan 0.000 0.542 211 V N 2.732 122.842 119.914 0.327 0.000 2.673 211 V HA -0.001 4.118 4.120 -0.000 0.000 0.303 211 V C 0.022 176.240 176.094 0.207 0.000 1.046 211 V CA 0.142 62.587 62.300 0.242 0.000 1.126 211 V CB 0.533 32.501 31.823 0.240 0.000 0.934 211 V HN 0.871 nan 8.190 nan 0.000 0.487 212 S N 7.101 122.905 115.700 0.173 0.000 2.610 212 S HA 0.611 5.081 4.470 -0.000 0.000 0.273 212 S C -2.502 172.188 174.600 0.150 0.000 1.274 212 S CA -1.217 57.068 58.200 0.142 0.000 1.023 212 S CB 0.938 64.202 63.200 0.107 0.000 0.962 212 S HN 0.755 nan 8.310 nan 0.000 0.523 213 P HA 0.503 nan 4.420 nan 0.000 0.268 213 P C 0.045 177.402 177.300 0.095 0.000 1.205 213 P CA -0.011 63.141 63.100 0.086 0.000 0.771 213 P CB 0.401 32.133 31.700 0.052 0.000 0.858 214 G N 0.177 109.029 108.800 0.086 0.000 2.677 214 G HA2 0.565 4.524 3.960 -0.000 0.000 0.291 214 G HA3 0.565 4.524 3.960 -0.000 0.000 0.291 214 G C -1.406 173.502 174.900 0.013 0.000 1.435 214 G CA -0.578 44.573 45.100 0.085 0.000 0.826 214 G HN 0.534 nan 8.290 nan 0.000 0.491 215 A N 0.115 122.932 122.820 -0.004 0.000 2.520 215 A HA 0.531 4.851 4.320 -0.000 0.000 0.245 215 A C 1.354 178.897 177.584 -0.068 0.000 1.072 215 A CA 0.530 52.544 52.037 -0.039 0.000 0.761 215 A CB -0.448 18.526 19.000 -0.044 0.000 1.004 215 A HN 1.732 nan 8.150 nan 0.000 0.499 216 L N 0.468 121.615 121.223 -0.126 0.000 4.232 216 L HA -0.318 4.022 4.340 -0.000 0.000 0.415 216 L C 1.239 177.895 176.870 -0.357 0.000 1.168 216 L CA 0.648 55.365 54.840 -0.206 0.000 0.966 216 L CB -1.779 40.221 42.059 -0.098 0.000 2.052 216 L HN 1.005 nan 8.230 nan 0.000 0.887 217 D N 0.315 120.460 120.400 -0.426 0.000 2.097 217 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 217 D C 1.964 177.845 176.300 -0.698 0.000 0.989 217 D CA 1.491 54.962 54.000 -0.880 0.000 0.827 217 D CB -0.141 40.343 40.800 -0.527 0.000 0.966 217 D HN 0.445 nan 8.370 nan 0.000 0.456 218 A N 0.843 123.427 122.820 -0.393 0.000 1.883 218 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 218 A C 2.136 179.545 177.584 -0.292 0.000 1.186 218 A CA 2.106 54.002 52.037 -0.235 0.000 0.624 218 A CB -0.724 18.215 19.000 -0.101 0.000 0.822 218 A HN 0.239 nan 8.150 nan 0.000 0.444 219 E N -0.577 119.258 120.200 -0.608 0.000 2.158 219 E HA 0.162 4.511 4.350 -0.000 0.000 0.191 219 E C 1.962 178.422 176.600 -0.234 0.000 0.982 219 E CA 1.149 57.124 56.400 -0.709 0.000 0.823 219 E CB -0.206 28.996 29.700 -0.829 0.000 0.766 219 E HN 0.596 nan 8.360 nan 0.000 0.468 220 A N -0.405 122.273 122.820 -0.237 0.000 2.035 220 A HA 0.097 4.417 4.320 -0.000 0.000 0.208 220 A C 0.768 178.431 177.584 0.131 0.000 1.206 220 A CA 0.584 52.607 52.037 -0.024 0.000 0.773 220 A CB 0.011 19.054 19.000 0.071 0.000 0.878 220 A HN 0.406 nan 8.150 nan 0.000 0.469 221 Y N -4.492 115.836 120.300 0.047 0.000 3.075 221 Y HA 0.464 5.014 4.550 -0.000 0.000 0.270 221 Y C 0.721 176.651 175.900 0.050 0.000 1.071 221 Y CA -0.423 57.719 58.100 0.071 0.000 1.269 221 Y CB -0.376 38.132 38.460 0.079 0.000 1.291 221 Y HN -0.001 nan 8.280 nan 0.000 0.613 222 G N 0.761 109.538 108.800 -0.038 0.000 3.393 222 G HA2 0.419 4.379 3.960 -0.000 0.000 0.255 222 G HA3 0.419 4.379 3.960 -0.000 0.000 0.255 222 G C -0.409 174.478 174.900 -0.021 0.000 1.097 222 G CA -0.036 45.041 45.100 -0.040 0.000 0.780 222 G HN 0.103 nan 8.290 nan 0.000 0.540 223 V N 0.581 120.484 119.914 -0.018 0.000 2.607 223 V HA 0.429 4.549 4.120 -0.000 0.000 0.289 223 V C -0.261 175.748 176.094 -0.141 0.000 1.053 223 V CA -0.424 61.810 62.300 -0.110 0.000 0.996 223 V CB 1.455 33.139 31.823 -0.231 0.000 0.995 223 V HN 0.154 nan 8.190 nan 0.000 0.476 224 K N 2.381 122.655 120.400 -0.210 0.000 2.270 224 K HA 0.785 5.105 4.320 -0.000 0.000 0.255 224 K C -0.567 175.902 176.600 -0.217 0.000 0.936 224 K CA -0.190 55.960 56.287 -0.229 0.000 0.809 224 K CB 2.010 34.270 32.500 -0.399 0.000 1.131 224 K HN 0.704 nan 8.250 nan 0.000 0.427 225 S N 0.302 115.941 115.700 -0.101 0.000 2.596 225 S HA 0.598 5.068 4.470 -0.000 0.000 0.270 225 S C -1.117 173.551 174.600 0.113 0.000 1.155 225 S CA -0.721 57.436 58.200 -0.071 0.000 0.827 225 S CB 1.010 64.122 63.200 -0.146 0.000 1.130 225 S HN 0.679 nan 8.310 nan 0.000 0.467 226 T N 0.392 115.014 114.554 0.112 0.000 2.912 226 T HA 0.512 4.862 4.350 -0.000 0.000 0.280 226 T C 1.276 176.094 174.700 0.196 0.000 0.989 226 T CA -0.531 61.682 62.100 0.188 0.000 0.995 226 T CB 0.770 69.690 68.868 0.088 0.000 1.077 226 T HN 0.452 nan 8.240 nan 0.000 0.531 227 I N 0.698 121.401 120.570 0.222 0.000 2.394 227 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 227 I C 2.361 178.627 176.117 0.248 0.000 1.136 227 I CA 1.456 62.897 61.300 0.235 0.000 1.425 227 I CB -0.568 37.597 38.000 0.275 0.000 1.079 227 I HN 0.820 nan 8.210 nan 0.000 0.425 228 E N -0.028 120.221 120.200 0.082 0.000 2.047 228 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 228 E C 1.679 178.376 176.600 0.160 0.000 0.987 228 E CA 1.416 57.855 56.400 0.064 0.000 0.799 228 E CB -0.145 29.477 29.700 -0.129 0.000 0.752 228 E HN 0.482 nan 8.360 nan 0.000 0.449 229 D N 0.174 120.648 120.400 0.124 0.000 2.144 229 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 229 D C 1.842 178.262 176.300 0.200 0.000 0.978 229 D CA 0.906 54.977 54.000 0.118 0.000 0.833 229 D CB -0.016 40.795 40.800 0.019 0.000 0.961 229 D HN 0.080 nan 8.370 nan 0.000 0.470 230 M N 0.307 120.042 119.600 0.225 0.000 2.229 230 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 230 M C 2.195 178.680 176.300 0.308 0.000 1.063 230 M CA 0.591 56.079 55.300 0.312 0.000 1.114 230 M CB -0.976 31.792 32.600 0.280 0.000 1.387 230 M HN -0.030 nan 8.290 nan 0.000 0.420 231 A N 0.050 123.029 122.820 0.266 0.000 1.902 231 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 231 A C 2.373 180.038 177.584 0.135 0.000 1.181 231 A CA 1.836 53.988 52.037 0.192 0.000 0.623 231 A CB -0.679 18.457 19.000 0.227 0.000 0.818 231 A HN 0.454 nan 8.150 nan 0.000 0.443 232 R N -1.331 119.275 120.500 0.176 0.000 2.096 232 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 232 R C 2.138 178.547 176.300 0.182 0.000 1.127 232 R CA 1.565 57.750 56.100 0.141 0.000 0.968 232 R CB -0.394 29.996 30.300 0.150 0.000 0.861 232 R HN 0.823 nan 8.270 nan 0.000 0.440 233 W N 0.377 121.704 121.300 0.045 0.000 2.358 233 W HA -0.203 4.457 4.660 0.000 0.000 0.303 233 W C 1.397 177.859 176.519 -0.095 0.000 1.208 233 W CA 1.257 58.618 57.345 0.027 0.000 1.274 233 W CB -0.023 29.502 29.460 0.109 0.000 1.138 233 W HN -0.012 nan 8.180 nan 0.000 0.515 234 V N 1.258 121.120 119.914 -0.087 0.000 2.343 234 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 234 V C 2.373 178.151 176.094 -0.527 0.000 1.051 234 V CA 2.244 64.280 62.300 -0.441 0.000 1.036 234 V CB -1.073 30.618 31.823 -0.221 0.000 0.654 234 V HN 0.235 nan 8.190 nan 0.000 0.451 235 Q N -0.175 119.461 119.800 -0.273 0.000 2.096 235 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 235 Q C 2.497 178.323 176.000 -0.289 0.000 0.982 235 Q CA 2.004 57.659 55.803 -0.246 0.000 0.850 235 Q CB -0.277 28.387 28.738 -0.125 0.000 0.901 235 Q HN 0.609 nan 8.270 nan 0.000 0.422 236 S N 0.840 116.383 115.700 -0.262 0.000 2.382 236 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 236 S C 1.523 175.876 174.600 -0.411 0.000 1.027 236 S CA 0.974 59.023 58.200 -0.251 0.000 0.991 236 S CB -0.176 62.945 63.200 -0.132 0.000 0.823 236 S HN 0.379 nan 8.310 nan 0.000 0.469 237 N N 0.994 119.278 118.700 -0.694 0.000 2.409 237 N HA 0.138 4.878 4.740 -0.000 0.000 0.179 237 N C 1.560 176.600 175.510 -0.782 0.000 1.032 237 N CA 0.445 52.993 53.050 -0.837 0.000 0.898 237 N CB -0.105 37.615 38.487 -1.278 0.000 0.971 237 N HN 0.334 nan 8.380 nan 0.000 0.441 238 L N 0.536 121.292 121.223 -0.777 0.000 2.109 238 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 238 L C 0.731 177.437 176.870 -0.273 0.000 1.086 238 L CA 1.126 55.680 54.840 -0.476 0.000 0.760 238 L CB 0.101 41.918 42.059 -0.403 0.000 0.910 238 L HN -0.081 nan 8.230 nan 0.000 0.437 239 K N -0.456 119.791 120.400 -0.255 0.000 2.954 239 K HA 0.206 4.526 4.320 -0.000 0.000 0.171 239 K C -1.933 174.579 176.600 -0.146 0.000 1.079 239 K CA -1.158 55.028 56.287 -0.168 0.000 0.908 239 K CB 1.261 33.675 32.500 -0.142 0.000 1.142 239 K HN -0.094 nan 8.250 nan 0.000 0.613 240 P HA -0.141 nan 4.420 nan 0.000 0.222 240 P C 1.121 178.378 177.300 -0.073 0.000 1.147 240 P CA 0.761 63.795 63.100 -0.110 0.000 0.790 240 P CB 0.281 31.921 31.700 -0.099 0.000 0.780 241 L N -0.294 120.887 121.223 -0.069 0.000 2.465 241 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 241 L C 1.276 178.118 176.870 -0.047 0.000 1.145 241 L CA 1.369 56.178 54.840 -0.051 0.000 0.834 241 L CB -0.921 41.108 42.059 -0.049 0.000 0.944 241 L HN -0.031 nan 8.230 nan 0.000 0.451 242 D N -0.099 120.268 120.400 -0.055 0.000 2.363 242 D HA 0.029 4.669 4.640 -0.000 0.000 0.220 242 D C 0.844 177.123 176.300 -0.036 0.000 0.994 242 D CA 0.417 54.389 54.000 -0.047 0.000 0.890 242 D CB 0.304 41.070 40.800 -0.056 0.000 0.906 242 D HN 0.069 nan 8.370 nan 0.000 0.530 243 I N 1.761 122.310 120.570 -0.035 0.000 2.471 243 I HA 0.017 4.187 4.170 -0.000 0.000 0.286 243 I C 1.308 177.417 176.117 -0.014 0.000 1.079 243 I CA -0.095 61.193 61.300 -0.019 0.000 1.398 243 I CB 0.823 38.815 38.000 -0.014 0.000 1.403 243 I HN -0.152 nan 8.210 nan 0.000 0.530 244 N N 3.986 122.681 118.700 -0.009 0.000 2.354 244 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 244 N C 0.138 175.644 175.510 -0.007 0.000 1.021 244 N CA 0.629 53.673 53.050 -0.009 0.000 0.887 244 N CB 0.176 38.657 38.487 -0.009 0.000 0.974 244 N HN 0.546 nan 8.380 nan 0.000 0.437 245 E N 0.970 121.169 120.200 -0.003 0.000 2.129 245 E HA 0.116 4.466 4.350 -0.000 0.000 0.283 245 E C 0.702 177.301 176.600 -0.001 0.000 1.080 245 E CA 0.020 56.419 56.400 -0.002 0.000 0.867 245 E CB 0.970 30.671 29.700 0.001 0.000 1.056 245 E HN 0.094 nan 8.360 nan 0.000 0.404 246 K N 1.153 121.551 120.400 -0.003 0.000 2.097 246 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 246 K C 1.922 178.524 176.600 0.003 0.000 1.049 246 K CA 1.751 58.036 56.287 -0.003 0.000 0.933 246 K CB -0.051 32.446 32.500 -0.004 0.000 0.717 246 K HN 0.599 nan 8.250 nan 0.000 0.442 247 T N -0.085 114.471 114.554 0.003 0.000 2.867 247 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 247 T C 1.819 176.530 174.700 0.019 0.000 1.057 247 T CA 0.668 62.773 62.100 0.009 0.000 1.136 247 T CB -0.142 68.727 68.868 0.002 0.000 0.874 247 T HN 0.029 nan 8.240 nan 0.000 0.466 248 L N 1.158 122.393 121.223 0.020 0.000 2.072 248 L HA 0.109 4.449 4.340 -0.000 0.000 0.205 248 L C 2.818 179.709 176.870 0.036 0.000 1.079 248 L CA 1.767 56.630 54.840 0.040 0.000 0.752 248 L CB -1.041 41.045 42.059 0.045 0.000 0.906 248 L HN 0.381 nan 8.230 nan 0.000 0.436 249 Q N -0.894 118.915 119.800 0.015 0.000 2.045 249 Q HA -0.334 4.006 4.340 -0.000 0.000 0.206 249 Q C 2.276 178.280 176.000 0.007 0.000 0.991 249 Q CA 2.388 58.191 55.803 -0.001 0.000 0.851 249 Q CB -0.208 28.524 28.738 -0.010 0.000 0.911 249 Q HN 0.561 nan 8.270 nan 0.000 0.418 250 Q N -0.236 119.573 119.800 0.015 0.000 2.119 250 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 250 Q C 1.864 177.893 176.000 0.047 0.000 0.972 250 Q CA 1.983 57.800 55.803 0.023 0.000 0.847 250 Q CB -0.822 27.929 28.738 0.021 0.000 0.903 250 Q HN 0.528 nan 8.270 nan 0.000 0.433 251 G N 0.352 109.188 108.800 0.059 0.000 2.418 251 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 251 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 251 G C 1.448 176.417 174.900 0.116 0.000 1.158 251 G CA 0.899 46.054 45.100 0.093 0.000 0.771 251 G HN 0.422 nan 8.290 nan 0.000 0.545 252 I N 0.324 120.946 120.570 0.086 0.000 2.226 252 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 252 I C 3.010 179.165 176.117 0.062 0.000 1.100 252 I CA 1.005 62.346 61.300 0.068 0.000 1.374 252 I CB -0.158 37.825 38.000 -0.029 0.000 1.057 252 I HN 0.151 nan 8.210 nan 0.000 0.413 253 Q N 0.474 120.296 119.800 0.036 0.000 2.084 253 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 253 Q C 2.399 178.438 176.000 0.065 0.000 0.978 253 Q CA 1.456 57.273 55.803 0.023 0.000 0.844 253 Q CB -0.367 28.373 28.738 0.003 0.000 0.898 253 Q HN 0.554 nan 8.270 nan 0.000 0.426 254 L N 0.057 121.343 121.223 0.104 0.000 2.141 254 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 254 L C 2.386 179.419 176.870 0.271 0.000 1.094 254 L CA 0.902 55.845 54.840 0.171 0.000 0.763 254 L CB -0.555 41.608 42.059 0.175 0.000 0.908 254 L HN 0.104 nan 8.230 nan 0.000 0.437 255 A N -0.704 122.267 122.820 0.253 0.000 2.015 255 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 255 A C 2.087 179.905 177.584 0.391 0.000 1.163 255 A CA 1.134 53.373 52.037 0.337 0.000 0.646 255 A CB -0.243 18.983 19.000 0.377 0.000 0.806 255 A HN 0.471 nan 8.150 nan 0.000 0.448 256 Q N 0.126 120.079 119.800 0.254 0.000 2.360 256 Q HA 0.168 4.508 4.340 -0.000 0.000 0.202 256 Q C -0.072 175.970 176.000 0.071 0.000 0.915 256 Q CA -0.286 55.605 55.803 0.148 0.000 0.943 256 Q CB 0.306 29.046 28.738 0.003 0.000 1.064 256 Q HN 0.511 nan 8.270 nan 0.000 0.511 257 S N 0.848 116.584 115.700 0.061 0.000 2.593 257 S HA 0.240 4.709 4.470 -0.000 0.000 0.269 257 S C 0.052 174.508 174.600 -0.240 0.000 1.334 257 S CA -0.241 57.855 58.200 -0.172 0.000 1.015 257 S CB 0.626 63.626 63.200 -0.334 0.000 0.912 257 S HN 0.221 nan 8.310 nan 0.000 0.541 258 R N 1.351 121.642 120.500 -0.348 0.000 2.215 258 R HA 0.263 4.602 4.340 -0.000 0.000 0.337 258 R C -0.435 175.682 176.300 -0.305 0.000 1.010 258 R CA -0.136 55.859 56.100 -0.176 0.000 0.871 258 R CB 0.388 30.563 30.300 -0.207 0.000 1.134 258 R HN 0.688 nan 8.270 nan 0.000 0.477 259 Y N 0.531 120.823 120.300 -0.013 0.000 2.479 259 Y HA 0.160 4.710 4.550 -0.000 0.000 0.283 259 Y C 0.151 175.704 175.900 -0.579 0.000 1.109 259 Y CA 0.270 58.191 58.100 -0.297 0.000 1.239 259 Y CB 0.583 38.878 38.460 -0.274 0.000 1.108 259 Y HN 0.448 nan 8.280 nan 0.000 0.548 260 W N -0.105 121.360 121.300 0.275 0.000 3.107 260 W HA 0.562 5.222 4.660 0.000 0.000 0.331 260 W C -0.863 175.770 176.519 0.190 0.000 1.204 260 W CA -0.944 56.522 57.345 0.201 0.000 1.184 260 W CB 1.206 30.769 29.460 0.171 0.000 1.421 260 W HN -0.454 nan 8.180 nan 0.000 0.544 261 Q N 1.413 121.423 119.800 0.350 0.000 2.353 261 Q HA 0.634 4.974 4.340 -0.000 0.000 0.268 261 Q C -1.169 174.866 176.000 0.057 0.000 1.045 261 Q CA -0.459 55.395 55.803 0.086 0.000 0.811 261 Q CB 2.379 31.101 28.738 -0.027 0.000 1.305 261 Q HN 0.440 nan 8.270 nan 0.000 0.447 262 T N 2.491 117.026 114.554 -0.033 0.000 2.949 262 T HA 0.617 4.967 4.350 -0.000 0.000 0.300 262 T C 0.300 174.949 174.700 -0.085 0.000 0.988 262 T CA 0.723 62.803 62.100 -0.034 0.000 0.993 262 T CB 0.727 69.592 68.868 -0.006 0.000 0.984 262 T HN 1.009 nan 8.240 nan 0.000 0.442 263 G N 5.255 114.005 108.800 -0.083 0.000 2.583 263 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.292 263 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.292 263 G C 0.263 175.075 174.900 -0.147 0.000 1.203 263 G CA 0.749 45.794 45.100 -0.091 0.000 0.987 263 G HN 0.752 nan 8.290 nan 0.000 0.554 264 D N 0.564 120.883 120.400 -0.134 0.000 2.340 264 D HA 0.337 4.977 4.640 -0.000 0.000 0.217 264 D C 1.020 177.198 176.300 -0.203 0.000 1.081 264 D CA 0.173 54.080 54.000 -0.155 0.000 0.842 264 D CB 0.284 41.034 40.800 -0.083 0.000 0.934 264 D HN 0.331 nan 8.370 nan 0.000 0.511 265 M N 0.792 120.265 119.600 -0.211 0.000 2.578 265 M HA 0.362 4.842 4.480 -0.000 0.000 0.321 265 M C -1.609 174.543 176.300 -0.246 0.000 1.182 265 M CA -0.584 54.656 55.300 -0.101 0.000 0.965 265 M CB 1.251 33.904 32.600 0.089 0.000 1.694 265 M HN -0.135 nan 8.290 nan 0.000 0.461 266 Y N 1.482 121.893 120.300 0.186 0.000 2.364 266 Y HA 0.406 4.956 4.550 -0.000 0.000 0.340 266 Y C -0.255 175.808 175.900 0.271 0.000 0.975 266 Y CA -0.715 57.508 58.100 0.205 0.000 1.089 266 Y CB 1.528 40.076 38.460 0.147 0.000 1.192 266 Y HN 0.567 nan 8.280 nan 0.000 0.454 267 Q N 2.028 122.110 119.800 0.470 0.000 2.296 267 Q HA 0.544 4.884 4.340 -0.000 0.000 0.257 267 Q C 0.032 176.324 176.000 0.488 0.000 0.942 267 Q CA -0.178 55.903 55.803 0.464 0.000 0.939 267 Q CB 1.108 30.137 28.738 0.485 0.000 1.198 267 Q HN 0.901 nan 8.270 nan 0.000 0.429 268 G N 2.749 111.812 108.800 0.437 0.000 2.641 268 G HA2 0.473 4.433 3.960 -0.000 0.000 0.239 268 G HA3 0.473 4.433 3.960 -0.000 0.000 0.239 268 G C -0.891 174.169 174.900 0.266 0.000 1.402 268 G CA -0.836 44.539 45.100 0.458 0.000 1.046 268 G HN 0.605 nan 8.290 nan 0.000 0.565 269 L N 1.222 122.575 121.223 0.217 0.000 2.302 269 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 269 L C 1.411 178.332 176.870 0.085 0.000 1.090 269 L CA 0.443 55.295 54.840 0.019 0.000 0.866 269 L CB 0.307 42.361 42.059 -0.009 0.000 1.244 269 L HN 1.043 nan 8.230 nan 0.000 0.435 270 G N 2.019 110.846 108.800 0.044 0.000 4.039 270 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 270 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 270 G C 0.026 174.973 174.900 0.079 0.000 1.391 270 G CA -0.187 44.934 45.100 0.035 0.000 0.920 270 G HN 0.516 nan 8.290 nan 0.000 0.599 271 W N 2.474 123.910 121.300 0.228 0.000 2.170 271 W HA 0.548 5.208 4.660 -0.000 0.000 0.342 271 W C 0.853 177.525 176.519 0.254 0.000 1.294 271 W CA -0.098 57.377 57.345 0.216 0.000 1.246 271 W CB 0.360 29.918 29.460 0.164 0.000 1.156 271 W HN 0.349 nan 8.180 nan 0.000 0.572 272 E N 1.597 122.149 120.200 0.587 0.000 2.227 272 E HA 0.603 4.953 4.350 -0.000 0.000 0.268 272 E C -0.854 176.054 176.600 0.513 0.000 0.907 272 E CA -1.171 55.542 56.400 0.522 0.000 0.786 272 E CB 1.775 31.776 29.700 0.502 0.000 1.191 272 E HN 0.179 nan 8.360 nan 0.000 0.411 273 M N 1.832 121.686 119.600 0.423 0.000 2.501 273 M HA 0.460 4.940 4.480 -0.000 0.000 0.293 273 M C -1.584 174.950 176.300 0.390 0.000 1.192 273 M CA -0.379 55.112 55.300 0.318 0.000 0.886 273 M CB 1.772 34.491 32.600 0.199 0.000 1.710 273 M HN 0.299 nan 8.290 nan 0.000 0.457 274 L N 0.469 121.888 121.223 0.327 0.000 2.371 274 L HA 0.574 4.914 4.340 -0.000 0.000 0.262 274 L C -0.709 176.341 176.870 0.300 0.000 1.006 274 L CA -0.718 54.320 54.840 0.330 0.000 0.818 274 L CB 1.722 43.882 42.059 0.169 0.000 1.354 274 L HN 0.552 nan 8.230 nan 0.000 0.415 275 D N 0.761 121.331 120.400 0.283 0.000 2.443 275 D HA -0.045 4.595 4.640 -0.000 0.000 0.239 275 D C -0.860 175.575 176.300 0.225 0.000 1.136 275 D CA 0.257 54.378 54.000 0.203 0.000 0.879 275 D CB 1.047 41.937 40.800 0.149 0.000 1.195 275 D HN 0.374 nan 8.370 nan 0.000 0.443 276 W N 4.442 125.800 121.300 0.095 0.000 2.469 276 W HA 0.275 4.935 4.660 -0.000 0.000 0.320 276 W C -2.373 174.193 176.519 0.079 0.000 1.086 276 W CA -1.848 55.567 57.345 0.116 0.000 1.211 276 W CB 1.218 30.756 29.460 0.129 0.000 1.298 276 W HN 0.224 nan 8.180 nan 0.000 0.525 277 P HA 0.187 nan 4.420 nan 0.000 0.278 277 P C -0.793 176.137 177.300 -0.617 0.000 1.238 277 P CA -0.072 62.160 63.100 -1.446 0.000 0.794 277 P CB 1.862 32.930 31.700 -1.054 0.000 0.955 278 V N 1.753 121.342 119.914 -0.542 0.000 2.713 278 V HA 0.291 4.411 4.120 -0.000 0.000 0.307 278 V C 0.714 176.617 176.094 -0.319 0.000 1.052 278 V CA -0.935 61.203 62.300 -0.271 0.000 0.967 278 V CB 1.153 32.845 31.823 -0.218 0.000 1.019 278 V HN 0.580 nan 8.190 nan 0.000 0.459 279 N N 4.725 123.247 118.700 -0.298 0.000 2.420 279 N HA 0.206 4.946 4.740 -0.000 0.000 0.262 279 N C -1.396 173.806 175.510 -0.513 0.000 1.144 279 N CA -2.024 50.822 53.050 -0.341 0.000 0.952 279 N CB 1.509 39.851 38.487 -0.242 0.000 1.081 279 N HN 0.335 nan 8.380 nan 0.000 0.480 280 P HA -0.097 nan 4.420 nan 0.000 0.220 280 P C 0.391 177.323 177.300 -0.614 0.000 1.148 280 P CA 0.944 63.390 63.100 -1.090 0.000 0.803 280 P CB 0.484 31.101 31.700 -1.806 0.000 0.782 281 D N -0.242 119.894 120.400 -0.440 0.000 2.149 281 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 281 D C 2.153 178.315 176.300 -0.229 0.000 0.990 281 D CA 1.197 55.029 54.000 -0.280 0.000 0.839 281 D CB -0.662 40.010 40.800 -0.213 0.000 0.948 281 D HN 0.117 nan 8.370 nan 0.000 0.460 282 S N 0.329 115.885 115.700 -0.241 0.000 2.356 282 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 282 S C 2.211 176.723 174.600 -0.147 0.000 1.032 282 S CA 1.124 59.220 58.200 -0.173 0.000 1.005 282 S CB -0.239 62.860 63.200 -0.169 0.000 0.867 282 S HN 0.468 nan 8.310 nan 0.000 0.449 283 I N -0.704 119.733 120.570 -0.221 0.000 2.406 283 I HA -0.000 4.170 4.170 -0.000 0.000 0.249 283 I C 1.969 178.045 176.117 -0.068 0.000 1.122 283 I CA 1.133 62.360 61.300 -0.122 0.000 1.431 283 I CB -0.511 37.317 38.000 -0.286 0.000 1.087 283 I HN 0.149 nan 8.210 nan 0.000 0.424 284 I N 1.994 122.468 120.570 -0.160 0.000 2.133 284 I HA -0.218 3.952 4.170 -0.000 0.000 0.238 284 I C 2.338 178.400 176.117 -0.091 0.000 1.074 284 I CA 1.485 62.712 61.300 -0.120 0.000 1.342 284 I CB -0.690 37.218 38.000 -0.153 0.000 1.053 284 I HN 0.269 nan 8.210 nan 0.000 0.404 285 N N 1.198 119.836 118.700 -0.102 0.000 2.166 285 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 285 N C 1.868 177.342 175.510 -0.061 0.000 1.019 285 N CA 1.580 54.583 53.050 -0.079 0.000 0.856 285 N CB -0.779 37.658 38.487 -0.085 0.000 0.993 285 N HN 0.427 nan 8.380 nan 0.000 0.426 286 G N 0.245 109.014 108.800 -0.051 0.000 2.471 286 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 286 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 286 G C 1.560 176.449 174.900 -0.018 0.000 1.125 286 G CA 1.144 46.229 45.100 -0.025 0.000 0.775 286 G HN 0.501 nan 8.290 nan 0.000 0.548 287 S N -0.277 115.410 115.700 -0.021 0.000 2.522 287 S HA -0.001 4.468 4.470 -0.000 0.000 0.227 287 S C 0.808 175.360 174.600 -0.079 0.000 0.986 287 S CA 0.084 58.255 58.200 -0.047 0.000 0.929 287 S CB -0.035 63.130 63.200 -0.058 0.000 0.769 287 S HN 0.289 nan 8.310 nan 0.000 0.529 288 D N 2.036 122.395 120.400 -0.068 0.000 2.458 288 D HA 0.071 4.711 4.640 -0.000 0.000 0.243 288 D C 0.452 176.710 176.300 -0.069 0.000 1.146 288 D CA 0.018 53.979 54.000 -0.065 0.000 0.877 288 D CB 0.527 41.296 40.800 -0.052 0.000 1.176 288 D HN 0.073 nan 8.370 nan 0.000 0.461 289 N N 3.305 121.962 118.700 -0.072 0.000 2.272 289 N HA -0.211 4.529 4.740 -0.000 0.000 0.185 289 N C 1.636 177.116 175.510 -0.050 0.000 1.014 289 N CA 0.896 53.901 53.050 -0.074 0.000 0.870 289 N CB -0.145 38.305 38.487 -0.062 0.000 0.975 289 N HN 0.656 nan 8.380 nan 0.000 0.433 290 K N 0.351 120.729 120.400 -0.036 0.000 2.209 290 K HA -0.061 4.258 4.320 -0.000 0.000 0.204 290 K C 1.731 178.317 176.600 -0.024 0.000 1.048 290 K CA 1.085 57.358 56.287 -0.023 0.000 0.940 290 K CB -0.089 32.399 32.500 -0.019 0.000 0.729 290 K HN 0.170 nan 8.250 nan 0.000 0.451 291 I N 1.025 121.573 120.570 -0.037 0.000 2.685 291 I HA -0.006 4.164 4.170 -0.000 0.000 0.251 291 I C 2.584 178.673 176.117 -0.046 0.000 1.102 291 I CA 0.586 61.864 61.300 -0.036 0.000 1.442 291 I CB -0.169 37.808 38.000 -0.038 0.000 1.194 291 I HN 0.220 nan 8.210 nan 0.000 0.448 292 A N 0.923 123.698 122.820 -0.074 0.000 1.978 292 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 292 A C 2.068 179.569 177.584 -0.138 0.000 1.170 292 A CA 1.438 53.401 52.037 -0.123 0.000 0.636 292 A CB -0.655 18.232 19.000 -0.188 0.000 0.810 292 A HN 0.443 nan 8.150 nan 0.000 0.448 293 L N -1.111 120.061 121.223 -0.085 0.000 2.640 293 L HA 0.304 4.644 4.340 -0.000 0.000 0.230 293 L C 0.988 177.876 176.870 0.030 0.000 1.123 293 L CA -0.128 54.699 54.840 -0.021 0.000 0.900 293 L CB -0.159 41.896 42.059 -0.007 0.000 1.146 293 L HN 0.348 nan 8.230 nan 0.000 0.484 294 A N 0.703 123.530 122.820 0.012 0.000 2.316 294 A HA 0.710 5.030 4.320 -0.000 0.000 0.284 294 A C 0.451 178.044 177.584 0.015 0.000 1.115 294 A CA -0.273 51.781 52.037 0.028 0.000 0.812 294 A CB 0.593 19.598 19.000 0.008 0.000 1.064 294 A HN 0.189 nan 8.150 nan 0.000 0.489 295 A N 2.220 125.053 122.820 0.021 0.000 2.511 295 A HA 0.526 4.846 4.320 -0.000 0.000 0.242 295 A C 0.370 177.862 177.584 -0.153 0.000 1.069 295 A CA 0.107 52.081 52.037 -0.105 0.000 0.763 295 A CB 0.043 18.916 19.000 -0.211 0.000 1.001 295 A HN 0.726 nan 8.150 nan 0.000 0.498 296 R N 2.171 122.554 120.500 -0.195 0.000 2.673 296 R HA 0.482 4.822 4.340 -0.000 0.000 0.281 296 R C -3.139 173.028 176.300 -0.221 0.000 0.991 296 R CA -2.124 53.878 56.100 -0.164 0.000 0.896 296 R CB 1.952 32.200 30.300 -0.086 0.000 1.201 296 R HN 0.520 nan 8.270 nan 0.000 0.457 297 P HA 0.094 nan 4.420 nan 0.000 0.276 297 P C -0.169 177.073 177.300 -0.097 0.000 1.230 297 P CA -0.273 62.720 63.100 -0.179 0.000 0.776 297 P CB 0.879 32.502 31.700 -0.128 0.000 0.888 298 V N 0.446 120.310 119.914 -0.083 0.000 2.581 298 V HA 0.545 4.665 4.120 -0.000 0.000 0.303 298 V C 0.039 176.242 176.094 0.182 0.000 1.041 298 V CA -1.183 61.148 62.300 0.051 0.000 0.907 298 V CB 1.723 33.541 31.823 -0.007 0.000 0.994 298 V HN 0.407 nan 8.190 nan 0.000 0.442 299 K N 3.240 123.786 120.400 0.242 0.000 2.248 299 K HA 0.727 5.047 4.320 -0.000 0.000 0.281 299 K C 0.223 177.048 176.600 0.376 0.000 1.054 299 K CA -0.203 56.235 56.287 0.251 0.000 0.903 299 K CB 1.214 33.801 32.500 0.144 0.000 1.077 299 K HN 1.167 nan 8.250 nan 0.000 0.474 300 A N 5.108 128.130 122.820 0.337 0.000 2.498 300 A HA 0.222 4.542 4.320 -0.000 0.000 0.239 300 A C -0.092 177.457 177.584 -0.058 0.000 1.068 300 A CA -0.128 51.902 52.037 -0.011 0.000 0.766 300 A CB -0.100 18.874 19.000 -0.044 0.000 1.003 300 A HN 0.814 nan 8.150 nan 0.000 0.497 301 I N 2.588 123.042 120.570 -0.193 0.000 2.337 301 I HA 0.215 4.385 4.170 -0.000 0.000 0.285 301 I C -0.212 175.805 176.117 -0.167 0.000 1.041 301 I CA 0.089 61.318 61.300 -0.119 0.000 1.199 301 I CB 1.227 39.173 38.000 -0.090 0.000 1.370 301 I HN 0.518 nan 8.210 nan 0.000 0.470 302 T N 6.436 120.929 114.554 -0.100 0.000 2.963 302 T HA 0.391 4.741 4.350 -0.000 0.000 0.343 302 T C -1.710 172.953 174.700 -0.061 0.000 1.146 302 T CA -0.937 61.113 62.100 -0.085 0.000 1.016 302 T CB 0.686 69.525 68.868 -0.049 0.000 1.046 302 T HN 0.452 nan 8.240 nan 0.000 0.496 303 P HA 0.556 nan 4.420 nan 0.000 0.279 303 P C -3.003 174.208 177.300 -0.148 0.000 1.276 303 P CA -1.952 61.090 63.100 -0.096 0.000 0.801 303 P CB 0.028 31.686 31.700 -0.071 0.000 1.127 304 P HA 0.106 nan 4.420 nan 0.000 0.269 304 P C -0.387 176.742 177.300 -0.284 0.000 1.215 304 P CA 0.195 63.087 63.100 -0.347 0.000 0.780 304 P CB -0.028 31.281 31.700 -0.651 0.000 0.898 305 T N 3.968 118.351 114.554 -0.286 0.000 2.780 305 T HA 0.305 4.655 4.350 -0.000 0.000 0.294 305 T C -2.172 172.386 174.700 -0.236 0.000 0.949 305 T CA -1.146 60.819 62.100 -0.224 0.000 1.074 305 T CB -0.040 68.697 68.868 -0.219 0.000 0.910 305 T HN 0.278 nan 8.240 nan 0.000 0.501 306 P HA 0.213 nan 4.420 nan 0.000 0.270 306 P C -0.456 176.766 177.300 -0.130 0.000 1.223 306 P CA -0.512 62.504 63.100 -0.140 0.000 0.785 306 P CB 0.307 31.949 31.700 -0.096 0.000 0.923 307 A N 2.020 124.780 122.820 -0.100 0.000 2.583 307 A HA 0.060 4.380 4.320 -0.000 0.000 0.249 307 A C 0.112 177.641 177.584 -0.092 0.000 1.035 307 A CA 0.317 52.300 52.037 -0.088 0.000 0.777 307 A CB -0.818 18.144 19.000 -0.063 0.000 0.942 307 A HN 0.362 nan 8.150 nan 0.000 0.516 308 V N 6.144 125.997 119.914 -0.103 0.000 2.383 308 V HA 0.160 4.280 4.120 -0.000 0.000 0.275 308 V C 1.484 177.541 176.094 -0.062 0.000 1.036 308 V CA -0.500 61.748 62.300 -0.087 0.000 0.889 308 V CB 1.026 32.782 31.823 -0.111 0.000 0.985 308 V HN 1.040 nan 8.190 nan 0.000 0.459 309 R N 3.612 124.083 120.500 -0.048 0.000 2.092 309 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 309 R C 1.302 177.587 176.300 -0.025 0.000 1.119 309 R CA 1.259 57.332 56.100 -0.046 0.000 0.970 309 R CB -0.105 30.168 30.300 -0.046 0.000 0.864 309 R HN 0.720 nan 8.270 nan 0.000 0.440 310 A N 1.896 124.730 122.820 0.023 0.000 3.063 310 A HA 0.242 4.562 4.320 -0.000 0.000 0.263 310 A C -0.435 177.255 177.584 0.176 0.000 1.736 310 A CA 0.095 52.204 52.037 0.120 0.000 1.408 310 A CB -0.033 19.059 19.000 0.154 0.000 1.108 310 A HN 0.029 nan 8.150 nan 0.000 0.621 311 S N 0.473 116.243 115.700 0.117 0.000 2.548 311 S HA 0.502 4.971 4.470 -0.000 0.000 0.286 311 S C -0.960 173.725 174.600 0.143 0.000 1.098 311 S CA -0.579 57.703 58.200 0.137 0.000 0.930 311 S CB 1.182 64.377 63.200 -0.009 0.000 1.070 311 S HN 0.680 nan 8.310 nan 0.000 0.480 312 W N 4.174 125.511 121.300 0.062 0.000 2.332 312 W HA 0.552 5.212 4.660 -0.000 0.000 0.306 312 W C -1.788 174.597 176.519 -0.224 0.000 1.149 312 W CA -0.471 56.846 57.345 -0.047 0.000 1.271 312 W CB 0.533 30.072 29.460 0.131 0.000 1.243 312 W HN 0.335 nan 8.180 nan 0.000 0.459 313 V N 7.556 127.047 119.914 -0.704 0.000 2.459 313 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 313 V C -0.116 175.578 176.094 -0.667 0.000 1.029 313 V CA -0.418 61.434 62.300 -0.747 0.000 0.874 313 V CB 1.396 32.311 31.823 -1.515 0.000 0.985 313 V HN 0.675 nan 8.190 nan 0.000 0.438 314 H N 2.440 121.447 119.070 -0.106 0.000 2.932 314 H HA 0.887 5.443 4.556 -0.000 0.000 0.307 314 H C -1.353 174.242 175.328 0.445 0.000 1.391 314 H CA -1.261 54.844 56.048 0.096 0.000 1.130 314 H CB 2.149 32.000 29.762 0.147 0.000 1.836 314 H HN 0.445 nan 8.280 nan 0.000 0.522 315 K N 1.284 121.803 120.400 0.199 0.000 2.575 315 K HA 0.249 4.569 4.320 -0.000 0.000 0.255 315 K C -1.313 175.406 176.600 0.199 0.000 0.953 315 K CA -0.023 56.333 56.287 0.115 0.000 0.840 315 K CB 2.021 34.580 32.500 0.098 0.000 1.303 315 K HN 0.917 nan 8.250 nan 0.000 0.438 316 T N 0.016 114.696 114.554 0.210 0.000 2.899 316 T HA 0.858 5.208 4.350 -0.000 0.000 0.284 316 T C 0.364 175.161 174.700 0.161 0.000 1.004 316 T CA -0.310 61.941 62.100 0.253 0.000 1.043 316 T CB 1.533 70.455 68.868 0.090 0.000 1.013 316 T HN 0.673 nan 8.240 nan 0.000 0.518 317 G N -0.607 108.290 108.800 0.162 0.000 2.703 317 G HA2 0.724 4.684 3.960 -0.000 0.000 0.294 317 G HA3 0.724 4.684 3.960 -0.000 0.000 0.294 317 G C -1.558 173.430 174.900 0.147 0.000 1.451 317 G CA -0.518 44.675 45.100 0.155 0.000 0.869 317 G HN 1.124 nan 8.290 nan 0.000 0.516 318 A N 0.200 123.103 122.820 0.138 0.000 2.587 318 A HA 1.000 5.320 4.320 -0.000 0.000 0.293 318 A C 0.049 177.719 177.584 0.144 0.000 1.087 318 A CA 0.119 52.245 52.037 0.148 0.000 0.692 318 A CB 1.747 20.800 19.000 0.088 0.000 1.291 318 A HN 1.946 nan 8.150 nan 0.000 0.407 319 T N -2.375 112.303 114.554 0.206 0.000 2.773 319 T HA 0.618 4.968 4.350 -0.000 0.000 0.278 319 T C 1.310 176.120 174.700 0.183 0.000 1.011 319 T CA 0.161 62.362 62.100 0.169 0.000 1.014 319 T CB 0.972 69.986 68.868 0.244 0.000 1.293 319 T HN 1.541 nan 8.240 nan 0.000 0.554 320 G N -0.336 108.555 108.800 0.152 0.000 2.450 320 G HA2 0.122 4.082 3.960 -0.000 0.000 0.220 320 G HA3 0.122 4.082 3.960 -0.000 0.000 0.220 320 G C 1.177 176.169 174.900 0.153 0.000 1.130 320 G CA 0.654 45.831 45.100 0.128 0.000 0.760 320 G HN 1.156 nan 8.290 nan 0.000 0.557 321 G N -1.407 107.533 108.800 0.234 0.000 3.192 321 G HA2 0.475 4.435 3.960 -0.000 0.000 0.239 321 G HA3 0.475 4.435 3.960 -0.000 0.000 0.239 321 G C -0.371 174.505 174.900 -0.040 0.000 1.084 321 G CA -0.438 44.722 45.100 0.100 0.000 0.784 321 G HN 0.198 nan 8.290 nan 0.000 0.540 322 F N -0.685 119.396 119.950 0.218 0.000 2.599 322 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 322 F C 0.250 176.181 175.800 0.217 0.000 1.076 322 F CA -1.088 57.076 58.000 0.273 0.000 0.937 322 F CB 2.425 41.609 39.000 0.308 0.000 1.282 322 F HN 0.023 nan 8.300 nan 0.000 0.460 323 G N 0.771 109.831 108.800 0.435 0.000 2.732 323 G HA2 0.589 4.549 3.960 -0.000 0.000 0.295 323 G HA3 0.589 4.549 3.960 -0.000 0.000 0.295 323 G C -1.706 173.350 174.900 0.260 0.000 1.456 323 G CA -0.622 44.620 45.100 0.238 0.000 1.050 323 G HN 0.572 nan 8.290 nan 0.000 0.525 324 S N 0.094 115.919 115.700 0.210 0.000 2.599 324 S HA 0.825 5.295 4.470 -0.000 0.000 0.287 324 S C -1.728 173.050 174.600 0.297 0.000 1.105 324 S CA -0.647 57.696 58.200 0.239 0.000 0.899 324 S CB 2.087 65.425 63.200 0.229 0.000 1.100 324 S HN 0.718 nan 8.310 nan 0.000 0.482 325 Y N 0.431 120.825 120.300 0.158 0.000 2.521 325 Y HA 0.598 5.148 4.550 -0.000 0.000 0.332 325 Y C -1.935 174.106 175.900 0.235 0.000 1.121 325 Y CA -0.766 57.443 58.100 0.182 0.000 1.037 325 Y CB 1.022 39.587 38.460 0.176 0.000 1.330 325 Y HN 0.486 nan 8.280 nan 0.000 0.452 326 V N 4.293 124.034 119.914 -0.288 0.000 2.638 326 V HA 0.973 5.093 4.120 -0.000 0.000 0.306 326 V C -0.830 175.011 176.094 -0.421 0.000 1.052 326 V CA -0.300 61.917 62.300 -0.138 0.000 0.885 326 V CB 1.444 33.433 31.823 0.275 0.000 0.999 326 V HN 1.010 nan 8.190 nan 0.000 0.424 327 A N 4.624 127.235 122.820 -0.349 0.000 2.515 327 A HA 1.050 5.370 4.320 -0.000 0.000 0.298 327 A C -1.274 176.039 177.584 -0.451 0.000 1.059 327 A CA -0.529 51.170 52.037 -0.564 0.000 0.698 327 A CB 1.867 20.424 19.000 -0.738 0.000 1.289 327 A HN 1.470 nan 8.150 nan 0.000 0.404 328 F N -0.830 118.673 119.950 -0.746 0.000 2.693 328 F HA 0.816 5.343 4.527 -0.000 0.000 0.309 328 F C -1.477 173.964 175.800 -0.599 0.000 1.129 328 F CA -1.189 56.449 58.000 -0.603 0.000 0.948 328 F CB 1.272 39.983 39.000 -0.482 0.000 1.315 328 F HN 0.302 nan 8.300 nan 0.000 0.447 329 I N 2.563 122.948 120.570 -0.307 0.000 2.495 329 I HA 0.326 4.495 4.170 -0.000 0.000 0.277 329 I C -2.158 173.840 176.117 -0.197 0.000 1.045 329 I CA -1.838 59.250 61.300 -0.353 0.000 1.135 329 I CB 1.813 39.462 38.000 -0.586 0.000 1.241 329 I HN 0.381 nan 8.210 nan 0.000 0.469 330 P HA -0.201 nan 4.420 nan 0.000 0.215 330 P C 1.358 178.587 177.300 -0.119 0.000 1.153 330 P CA 1.251 64.307 63.100 -0.073 0.000 0.853 330 P CB 0.322 31.993 31.700 -0.048 0.000 0.788 331 E N -0.460 119.665 120.200 -0.126 0.000 2.265 331 E HA -0.173 4.176 4.350 -0.000 0.000 0.196 331 E C 1.170 177.685 176.600 -0.141 0.000 0.996 331 E CA 0.835 57.170 56.400 -0.108 0.000 0.832 331 E CB -0.009 29.654 29.700 -0.062 0.000 0.756 331 E HN 0.100 nan 8.360 nan 0.000 0.491 332 K N 0.234 120.509 120.400 -0.209 0.000 2.358 332 K HA 0.036 4.356 4.320 -0.000 0.000 0.197 332 K C -0.247 176.230 176.600 -0.204 0.000 1.025 332 K CA 0.223 56.379 56.287 -0.218 0.000 1.104 332 K CB 0.504 32.819 32.500 -0.309 0.000 0.855 332 K HN 0.155 nan 8.250 nan 0.000 0.531 333 E N 0.789 120.880 120.200 -0.182 0.000 2.360 333 E HA -0.231 4.119 4.350 -0.000 0.000 0.238 333 E C -0.619 175.881 176.600 -0.167 0.000 1.186 333 E CA 0.223 56.520 56.400 -0.172 0.000 0.719 333 E CB -1.662 27.934 29.700 -0.172 0.000 1.236 333 E HN 0.024 nan 8.360 nan 0.000 0.386 334 L N -0.231 120.896 121.223 -0.159 0.000 2.408 334 L HA 0.819 5.159 4.340 -0.000 0.000 0.268 334 L C 0.092 176.896 176.870 -0.109 0.000 0.986 334 L CA 0.244 55.014 54.840 -0.117 0.000 0.820 334 L CB 2.153 44.119 42.059 -0.154 0.000 1.303 334 L HN 0.122 nan 8.230 nan 0.000 0.411 335 G N 3.908 112.676 108.800 -0.054 0.000 2.608 335 G HA2 0.637 4.597 3.960 -0.000 0.000 0.291 335 G HA3 0.637 4.597 3.960 -0.000 0.000 0.291 335 G C -2.212 172.691 174.900 0.005 0.000 1.425 335 G CA -0.440 44.631 45.100 -0.049 0.000 0.787 335 G HN 0.788 nan 8.290 nan 0.000 0.484 336 I N -0.327 120.251 120.570 0.014 0.000 2.752 336 I HA 0.641 4.811 4.170 -0.000 0.000 0.295 336 I C -1.368 174.814 176.117 0.109 0.000 1.219 336 I CA -0.956 60.396 61.300 0.087 0.000 1.030 336 I CB 2.305 40.377 38.000 0.120 0.000 1.259 336 I HN 0.395 nan 8.210 nan 0.000 0.423 337 V N 7.255 127.269 119.914 0.166 0.000 2.588 337 V HA 0.543 4.663 4.120 -0.000 0.000 0.304 337 V C -0.491 175.734 176.094 0.217 0.000 1.042 337 V CA -0.443 61.972 62.300 0.192 0.000 0.877 337 V CB 1.845 33.795 31.823 0.212 0.000 0.996 337 V HN 0.644 nan 8.190 nan 0.000 0.425 338 M N 6.058 125.794 119.600 0.226 0.000 2.093 338 M HA 0.582 5.062 4.480 -0.000 0.000 0.297 338 M C -1.350 175.042 176.300 0.153 0.000 0.938 338 M CA -0.110 55.320 55.300 0.217 0.000 0.920 338 M CB 1.817 34.590 32.600 0.288 0.000 1.517 338 M HN 0.389 nan 8.290 nan 0.000 0.427 339 L N 2.918 124.132 121.223 -0.015 0.000 2.333 339 L HA 0.978 5.318 4.340 -0.000 0.000 0.280 339 L C -0.336 176.367 176.870 -0.278 0.000 1.004 339 L CA -0.701 53.976 54.840 -0.272 0.000 0.820 339 L CB 1.735 43.288 42.059 -0.844 0.000 1.247 339 L HN 0.777 nan 8.230 nan 0.000 0.416 340 A N 1.990 124.888 122.820 0.130 0.000 2.475 340 A HA 0.575 4.895 4.320 -0.000 0.000 0.301 340 A C -0.373 177.549 177.584 0.564 0.000 1.059 340 A CA -0.758 51.498 52.037 0.364 0.000 0.710 340 A CB 1.276 20.492 19.000 0.361 0.000 1.288 340 A HN 0.753 nan 8.150 nan 0.000 0.408 341 N N 1.194 120.167 118.700 0.454 0.000 2.575 341 N HA 0.159 4.899 4.740 -0.000 0.000 0.275 341 N C -0.423 175.078 175.510 -0.015 0.000 1.202 341 N CA -0.093 52.921 53.050 -0.059 0.000 0.945 341 N CB 0.217 38.656 38.487 -0.079 0.000 1.247 341 N HN 0.612 nan 8.380 nan 0.000 0.510 342 K N 0.070 120.555 120.400 0.141 0.000 2.523 342 K HA 0.244 4.564 4.320 -0.000 0.000 0.257 342 K C -1.497 175.278 176.600 0.291 0.000 0.932 342 K CA -0.723 55.668 56.287 0.172 0.000 0.812 342 K CB 1.272 33.870 32.500 0.163 0.000 1.326 342 K HN -0.059 nan 8.250 nan 0.000 0.433 343 N N 3.883 122.715 118.700 0.219 0.000 2.508 343 N HA 0.090 4.830 4.740 -0.000 0.000 0.253 343 N C -1.424 174.194 175.510 0.180 0.000 1.145 343 N CA -0.062 53.097 53.050 0.181 0.000 0.973 343 N CB -0.223 38.342 38.487 0.130 0.000 1.305 343 N HN 0.464 nan 8.380 nan 0.000 0.506 344 Y N 1.386 121.725 120.300 0.065 0.000 2.496 344 Y HA 0.765 5.315 4.550 -0.000 0.000 0.331 344 Y C -2.495 173.421 175.900 0.027 0.000 1.140 344 Y CA -3.125 54.998 58.100 0.037 0.000 1.166 344 Y CB 0.060 38.536 38.460 0.028 0.000 1.249 344 Y HN 0.264 nan 8.280 nan 0.000 0.479 345 P HA 0.024 nan 4.420 nan 0.000 0.264 345 P C 0.043 177.226 177.300 -0.196 0.000 1.193 345 P CA 0.254 63.307 63.100 -0.078 0.000 0.763 345 P CB 0.709 32.413 31.700 0.006 0.000 0.810 346 N N 4.725 123.311 118.700 -0.191 0.000 2.060 346 N HA -0.165 4.575 4.740 -0.000 0.000 0.195 346 N C -0.878 174.522 175.510 -0.182 0.000 1.028 346 N CA 1.977 54.899 53.050 -0.213 0.000 0.861 346 N CB -1.915 36.478 38.487 -0.157 0.000 1.029 346 N HN 0.460 nan 8.380 nan 0.000 0.428 347 P HA -0.032 nan 4.420 nan 0.000 0.218 347 P C 1.031 178.303 177.300 -0.047 0.000 1.148 347 P CA 1.367 64.418 63.100 -0.082 0.000 0.822 347 P CB -0.053 31.613 31.700 -0.057 0.000 0.784 348 A N -0.003 122.815 122.820 -0.003 0.000 1.930 348 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 348 A C 2.192 179.844 177.584 0.112 0.000 1.175 348 A CA 1.273 53.362 52.037 0.087 0.000 0.627 348 A CB -0.882 18.241 19.000 0.207 0.000 0.815 348 A HN 0.100 nan 8.150 nan 0.000 0.443 349 R N -0.551 119.960 120.500 0.019 0.000 2.070 349 R HA -0.082 4.258 4.340 -0.000 0.000 0.233 349 R C 2.003 178.246 176.300 -0.095 0.000 1.137 349 R CA 1.573 57.669 56.100 -0.007 0.000 0.945 349 R CB -0.736 29.431 30.300 -0.221 0.000 0.845 349 R HN 0.373 nan 8.270 nan 0.000 0.430 350 V N 1.635 121.385 119.914 -0.274 0.000 2.358 350 V HA -0.239 3.880 4.120 -0.000 0.000 0.246 350 V C 1.963 178.126 176.094 0.115 0.000 1.047 350 V CA 2.156 64.340 62.300 -0.193 0.000 1.035 350 V CB -0.625 31.085 31.823 -0.188 0.000 0.658 350 V HN 0.354 nan 8.190 nan 0.000 0.452 351 D N 0.550 120.991 120.400 0.069 0.000 2.104 351 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 351 D C 2.106 178.535 176.300 0.214 0.000 0.994 351 D CA 1.644 55.721 54.000 0.129 0.000 0.830 351 D CB -0.157 40.681 40.800 0.064 0.000 0.959 351 D HN 0.367 nan 8.370 nan 0.000 0.452 352 A N 0.482 123.406 122.820 0.174 0.000 1.877 352 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 352 A C 2.419 180.149 177.584 0.245 0.000 1.186 352 A CA 2.218 54.358 52.037 0.172 0.000 0.620 352 A CB -1.218 17.859 19.000 0.128 0.000 0.822 352 A HN 0.371 nan 8.150 nan 0.000 0.443 353 A N -1.834 121.194 122.820 0.347 0.000 1.902 353 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 353 A C 2.009 179.914 177.584 0.536 0.000 1.181 353 A CA 1.553 53.872 52.037 0.471 0.000 0.623 353 A CB -0.873 18.582 19.000 0.759 0.000 0.818 353 A HN 0.828 nan 8.150 nan 0.000 0.443 354 W N 0.630 122.158 121.300 0.380 0.000 2.388 354 W HA -0.143 4.517 4.660 -0.000 0.000 0.294 354 W C 2.404 179.054 176.519 0.218 0.000 1.212 354 W CA 1.804 59.338 57.345 0.315 0.000 1.271 354 W CB -0.103 29.398 29.460 0.067 0.000 1.126 354 W HN 0.445 nan 8.180 nan 0.000 0.535 355 Q N -0.054 119.927 119.800 0.302 0.000 2.096 355 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 355 Q C 2.112 178.105 176.000 -0.012 0.000 0.982 355 Q CA 2.128 57.998 55.803 0.111 0.000 0.850 355 Q CB -0.491 28.335 28.738 0.147 0.000 0.901 355 Q HN 0.418 nan 8.270 nan 0.000 0.422 356 I N 0.401 121.001 120.570 0.049 0.000 2.193 356 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 356 I C 2.208 178.315 176.117 -0.018 0.000 1.084 356 I CA 1.013 62.321 61.300 0.013 0.000 1.365 356 I CB -0.216 37.810 38.000 0.044 0.000 1.064 356 I HN 0.170 nan 8.210 nan 0.000 0.410 357 L N 0.382 121.617 121.223 0.020 0.000 2.093 357 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 357 L C 2.259 179.069 176.870 -0.101 0.000 1.085 357 L CA 1.319 56.158 54.840 -0.001 0.000 0.755 357 L CB -0.796 41.317 42.059 0.090 0.000 0.904 357 L HN 0.345 nan 8.230 nan 0.000 0.435 358 N N 0.509 119.008 118.700 -0.334 0.000 2.244 358 N HA -0.135 4.605 4.740 -0.000 0.000 0.183 358 N C 1.758 177.147 175.510 -0.203 0.000 1.016 358 N CA 1.337 54.117 53.050 -0.450 0.000 0.866 358 N CB 0.052 37.743 38.487 -1.327 0.000 0.980 358 N HN 0.267 nan 8.380 nan 0.000 0.430 359 A N -0.004 122.722 122.820 -0.157 0.000 1.930 359 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 359 A C 2.068 179.638 177.584 -0.024 0.000 1.175 359 A CA 0.871 52.865 52.037 -0.072 0.000 0.627 359 A CB -0.437 18.526 19.000 -0.061 0.000 0.815 359 A HN 0.352 nan 8.150 nan 0.000 0.443 360 L N -0.363 120.856 121.223 -0.006 0.000 2.477 360 L HA 0.041 4.381 4.340 -0.000 0.000 0.220 360 L C 1.313 178.266 176.870 0.138 0.000 1.106 360 L CA -0.100 54.786 54.840 0.076 0.000 0.851 360 L CB -0.374 41.742 42.059 0.094 0.000 0.994 360 L HN 0.578 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.835 119.800 0.058 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 361 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481