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 1rkd_1_A DATA FIRST_RESID 4 DATA SEQUENCE AGSLVVLGSI NADHILNLQS FPTPGETVTG NHYQVAFGGK GANQAVAAGR DATA SEQUENCE SGANIAFIAC TGDDSIGESV RQQLATDNID ITPVSVIKGE STGVALIFVN DATA SEQUENCE GEGENVIGIH AGANAALSPA LVEAQRERIA NASALLMQLE SPLESVMAAA DATA SEQUENCE KIAHQNKTIV ALNPAPAREL PDELLALVDI ITPNETEAEK LTGIRVENDE DATA SEQUENCE DAAKAAQVLH EKGIRTVLIT LGSRGVWASV NGEGQRVPGF RVQAVDTIAA DATA SEQUENCE GDTFNGALIT ALLEEKPLPE AIRFAHAAAA IAVTRKGAQP SVPWREEIDA DATA SEQUENCE FLDRQR 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 0.000 177.567 177.584 -0.029 0.000 1.274 4 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 4 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 5 G N 0.379 109.161 108.800 -0.030 0.000 2.588 5 G HA2 0.571 4.531 3.960 -0.001 0.000 0.278 5 G HA3 0.571 4.531 3.960 -0.001 0.000 0.278 5 G C 0.406 175.294 174.900 -0.020 0.000 1.307 5 G CA 0.442 45.528 45.100 -0.023 0.000 1.016 5 G HN 1.973 nan 8.290 nan 0.000 0.503 6 S N -1.280 114.411 115.700 -0.014 0.000 2.578 6 S HA 0.620 5.090 4.470 -0.001 0.000 0.283 6 S C -0.676 173.920 174.600 -0.008 0.000 1.195 6 S CA -0.725 57.470 58.200 -0.009 0.000 1.050 6 S CB 1.759 64.957 63.200 -0.003 0.000 1.012 6 S HN 0.696 nan 8.310 nan 0.000 0.511 7 L N 2.654 123.873 121.223 -0.006 0.000 2.346 7 L HA 0.780 5.120 4.340 -0.001 0.000 0.274 7 L C -1.255 175.622 176.870 0.012 0.000 1.007 7 L CA -0.667 54.170 54.840 -0.004 0.000 0.818 7 L CB 1.933 43.982 42.059 -0.016 0.000 1.284 7 L HN 0.653 nan 8.230 nan 0.000 0.424 8 V N 5.303 125.230 119.914 0.021 0.000 2.487 8 V HA 0.537 4.657 4.120 -0.001 0.000 0.298 8 V C -0.505 175.625 176.094 0.061 0.000 1.028 8 V CA -0.664 61.664 62.300 0.046 0.000 0.860 8 V CB 1.931 33.780 31.823 0.042 0.000 0.991 8 V HN 0.564 nan 8.190 nan 0.000 0.427 9 V N 6.296 126.274 119.914 0.106 0.000 2.472 9 V HA 0.538 4.657 4.120 -0.001 0.000 0.290 9 V C -0.299 175.960 176.094 0.275 0.000 1.037 9 V CA -0.561 61.818 62.300 0.132 0.000 0.908 9 V CB 1.768 33.605 31.823 0.024 0.000 0.985 9 V HN 0.711 nan 8.190 nan 0.000 0.454 10 L N 4.635 125.980 121.223 0.204 0.000 2.372 10 L HA 0.951 5.291 4.340 -0.001 0.000 0.274 10 L C -0.006 176.975 176.870 0.185 0.000 0.988 10 L CA 0.350 55.288 54.840 0.164 0.000 0.833 10 L CB 1.320 43.420 42.059 0.068 0.000 1.236 10 L HN 0.845 nan 8.230 nan 0.000 0.410 11 G N 1.729 110.666 108.800 0.229 0.000 2.341 11 G HA2 0.285 4.245 3.960 -0.001 0.000 0.299 11 G HA3 0.285 4.245 3.960 -0.001 0.000 0.299 11 G C -1.348 173.662 174.900 0.183 0.000 1.274 11 G CA -0.083 45.137 45.100 0.200 0.000 0.853 11 G HN 0.731 nan 8.290 nan 0.000 0.493 12 S N -1.110 114.689 115.700 0.165 0.000 2.603 12 S HA 0.734 5.203 4.470 -0.001 0.000 0.268 12 S C -0.164 174.565 174.600 0.214 0.000 1.317 12 S CA -0.331 57.944 58.200 0.126 0.000 1.012 12 S CB 1.149 64.397 63.200 0.081 0.000 0.926 12 S HN 0.662 nan 8.310 nan 0.000 0.539 13 I N 2.162 122.813 120.570 0.134 0.000 2.447 13 I HA 0.426 4.595 4.170 -0.001 0.000 0.287 13 I C -0.852 175.337 176.117 0.120 0.000 1.023 13 I CA -0.670 60.725 61.300 0.157 0.000 1.083 13 I CB 1.812 39.887 38.000 0.125 0.000 1.245 13 I HN 0.606 nan 8.210 nan 0.000 0.434 14 N N 3.867 122.647 118.700 0.134 0.000 2.312 14 N HA 0.636 5.376 4.740 -0.001 0.000 0.296 14 N C -0.824 174.776 175.510 0.150 0.000 1.193 14 N CA -0.676 52.451 53.050 0.128 0.000 0.773 14 N CB 2.380 40.930 38.487 0.105 0.000 1.435 14 N HN 0.578 nan 8.380 nan 0.000 0.484 15 A N 0.817 123.725 122.820 0.147 0.000 2.316 15 A HA 0.321 4.641 4.320 -0.001 0.000 0.311 15 A C -0.725 176.898 177.584 0.065 0.000 1.339 15 A CA -0.469 51.617 52.037 0.082 0.000 0.960 15 A CB -0.242 18.833 19.000 0.125 0.000 1.152 15 A HN 0.437 nan 8.150 nan 0.000 0.547 16 D N 1.919 122.293 120.400 -0.044 0.000 2.277 16 D HA 0.384 5.023 4.640 -0.001 0.000 0.249 16 D C -0.620 175.568 176.300 -0.187 0.000 1.134 16 D CA 0.636 54.626 54.000 -0.017 0.000 0.863 16 D CB 0.674 41.456 40.800 -0.030 0.000 1.143 16 D HN 0.558 nan 8.370 nan 0.000 0.458 17 H N 1.459 120.503 119.070 -0.044 0.000 2.595 17 H HA 0.480 5.035 4.556 -0.001 0.000 0.313 17 H C -0.246 175.080 175.328 -0.004 0.000 1.023 17 H CA -0.388 55.638 56.048 -0.037 0.000 1.218 17 H CB 0.693 30.517 29.762 0.104 0.000 1.403 17 H HN 0.197 nan 8.280 nan 0.000 0.477 18 I N 3.969 124.534 120.570 -0.009 0.000 2.418 18 I HA 0.197 4.367 4.170 -0.001 0.000 0.287 18 I C -0.987 175.248 176.117 0.196 0.000 1.008 18 I CA -0.888 60.458 61.300 0.077 0.000 1.104 18 I CB 1.795 39.809 38.000 0.024 0.000 1.264 18 I HN 0.272 nan 8.210 nan 0.000 0.438 19 L N 6.843 128.261 121.223 0.325 0.000 2.333 19 L HA 0.490 4.830 4.340 -0.001 0.000 0.280 19 L C -0.673 176.403 176.870 0.344 0.000 1.004 19 L CA -0.071 55.008 54.840 0.398 0.000 0.820 19 L CB 1.293 43.644 42.059 0.486 0.000 1.247 19 L HN 0.452 nan 8.230 nan 0.000 0.416 20 N N 4.369 123.228 118.700 0.265 0.000 2.499 20 N HA 0.677 5.416 4.740 -0.001 0.000 0.281 20 N C -1.141 174.451 175.510 0.137 0.000 1.098 20 N CA -0.265 52.901 53.050 0.194 0.000 0.979 20 N CB 0.938 39.533 38.487 0.180 0.000 1.121 20 N HN 0.467 nan 8.380 nan 0.000 0.466 21 L N -0.383 120.880 121.223 0.068 0.000 2.397 21 L HA 0.565 4.904 4.340 -0.001 0.000 0.251 21 L C 0.753 177.579 176.870 -0.073 0.000 1.064 21 L CA -0.927 53.909 54.840 -0.008 0.000 0.859 21 L CB 0.715 42.743 42.059 -0.052 0.000 1.468 21 L HN 0.240 nan 8.230 nan 0.000 0.411 22 Q N 0.341 120.087 119.800 -0.091 0.000 2.008 22 Q HA 0.284 4.624 4.340 -0.001 0.000 0.196 22 Q C -0.080 175.802 176.000 -0.195 0.000 0.973 22 Q CA 1.609 57.344 55.803 -0.114 0.000 0.826 22 Q CB 0.273 28.963 28.738 -0.080 0.000 0.894 22 Q HN 0.809 nan 8.270 nan 0.000 0.439 23 S N -0.419 115.162 115.700 -0.198 0.000 2.542 23 S HA 0.485 4.955 4.470 -0.001 0.000 0.293 23 S C -1.044 173.425 174.600 -0.219 0.000 1.089 23 S CA -0.796 57.250 58.200 -0.256 0.000 0.961 23 S CB 0.842 63.962 63.200 -0.133 0.000 1.062 23 S HN 0.181 nan 8.310 nan 0.000 0.483 24 F N 3.386 123.295 119.950 -0.069 0.000 2.563 24 F HA 0.253 4.780 4.527 -0.000 0.000 0.363 24 F C -1.563 174.149 175.800 -0.147 0.000 1.123 24 F CA -1.780 56.147 58.000 -0.122 0.000 1.307 24 F CB -0.449 38.544 39.000 -0.012 0.000 1.115 24 F HN 0.263 nan 8.300 nan 0.000 0.592 25 P HA 0.106 nan 4.420 nan 0.000 0.271 25 P C -0.316 176.992 177.300 0.012 0.000 1.216 25 P CA -0.318 62.742 63.100 -0.066 0.000 0.771 25 P CB 0.696 32.300 31.700 -0.159 0.000 0.864 26 T N 0.198 114.760 114.554 0.012 0.000 2.902 26 T HA 0.437 4.786 4.350 -0.001 0.000 0.280 26 T C -2.503 172.206 174.700 0.016 0.000 0.992 26 T CA -2.463 59.651 62.100 0.024 0.000 1.015 26 T CB -0.284 68.596 68.868 0.021 0.000 1.044 26 T HN 0.145 nan 8.240 nan 0.000 0.520 27 P HA 0.225 nan 4.420 nan 0.000 0.260 27 P C 1.108 178.414 177.300 0.010 0.000 1.172 27 P CA 1.377 64.487 63.100 0.016 0.000 0.760 27 P CB -0.112 31.597 31.700 0.015 0.000 0.773 28 G N 1.663 110.469 108.800 0.011 0.000 2.184 28 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.264 28 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.264 28 G C 0.150 175.051 174.900 0.001 0.000 0.975 28 G CA 0.068 45.172 45.100 0.006 0.000 0.642 28 G HN 0.604 nan 8.290 nan 0.000 0.536 29 E N 0.195 120.394 120.200 -0.002 0.000 2.248 29 E HA 0.633 4.983 4.350 -0.001 0.000 0.272 29 E C -0.374 176.213 176.600 -0.020 0.000 1.008 29 E CA -0.348 56.044 56.400 -0.012 0.000 0.856 29 E CB 0.936 30.625 29.700 -0.017 0.000 1.120 29 E HN 0.085 nan 8.360 nan 0.000 0.397 30 T N 2.154 116.693 114.554 -0.026 0.000 2.797 30 T HA 0.422 4.772 4.350 -0.001 0.000 0.279 30 T C -0.978 173.691 174.700 -0.051 0.000 0.991 30 T CA -0.561 61.518 62.100 -0.034 0.000 0.979 30 T CB 1.247 70.102 68.868 -0.022 0.000 0.943 30 T HN 0.181 nan 8.240 nan 0.000 0.444 31 V N 3.181 123.046 119.914 -0.080 0.000 2.604 31 V HA 0.428 4.548 4.120 -0.001 0.000 0.305 31 V C 0.224 176.274 176.094 -0.073 0.000 1.043 31 V CA -0.796 61.451 62.300 -0.089 0.000 0.888 31 V CB 2.253 33.993 31.823 -0.139 0.000 0.995 31 V HN 0.964 nan 8.190 nan 0.000 0.429 32 T N 4.321 118.845 114.554 -0.049 0.000 2.729 32 T HA 0.493 4.842 4.350 -0.001 0.000 0.296 32 T C 0.557 175.243 174.700 -0.022 0.000 0.928 32 T CA 0.052 62.134 62.100 -0.030 0.000 1.045 32 T CB 1.033 69.888 68.868 -0.021 0.000 0.902 32 T HN 0.917 nan 8.240 nan 0.000 0.500 33 G N 2.871 111.669 108.800 -0.002 0.000 2.537 33 G HA2 0.458 4.417 3.960 -0.001 0.000 0.297 33 G HA3 0.458 4.417 3.960 -0.001 0.000 0.297 33 G C 0.389 175.319 174.900 0.050 0.000 1.310 33 G CA -0.824 44.294 45.100 0.030 0.000 1.027 33 G HN 0.726 nan 8.290 nan 0.000 0.505 34 N N -2.138 116.614 118.700 0.087 0.000 2.336 34 N HA 0.092 4.832 4.740 -0.001 0.000 0.191 34 N C 0.480 176.082 175.510 0.153 0.000 1.266 34 N CA -0.604 52.508 53.050 0.103 0.000 1.082 34 N CB -0.294 38.249 38.487 0.094 0.000 1.349 34 N HN 0.493 nan 8.380 nan 0.000 0.442 35 H N -0.411 118.713 119.070 0.089 0.000 3.001 35 H HA -0.010 4.546 4.556 -0.001 0.000 0.334 35 H C -1.239 174.200 175.328 0.185 0.000 1.034 35 H CA 0.551 56.663 56.048 0.106 0.000 1.420 35 H CB 0.216 30.017 29.762 0.065 0.000 1.405 35 H HN 0.467 nan 8.280 nan 0.000 0.593 36 Y N 4.085 124.093 120.300 -0.486 0.000 2.406 36 Y HA 0.242 4.792 4.550 -0.001 0.000 0.340 36 Y C -1.210 174.470 175.900 -0.365 0.000 0.975 36 Y CA -0.767 57.178 58.100 -0.258 0.000 1.056 36 Y CB 1.365 39.756 38.460 -0.114 0.000 1.210 36 Y HN 0.742 nan 8.280 nan 0.000 0.448 37 Q N 4.902 124.179 119.800 -0.871 0.000 2.345 37 Q HA 0.732 5.071 4.340 -0.001 0.000 0.275 37 Q C -2.326 173.197 176.000 -0.795 0.000 1.063 37 Q CA -0.953 54.432 55.803 -0.696 0.000 0.819 37 Q CB 2.451 31.028 28.738 -0.268 0.000 1.356 37 Q HN 0.570 nan 8.270 nan 0.000 0.418 38 V N 2.129 121.663 119.914 -0.634 0.000 2.398 38 V HA 0.910 5.030 4.120 -0.001 0.000 0.286 38 V C -0.399 175.418 176.094 -0.460 0.000 1.026 38 V CA -0.037 61.908 62.300 -0.590 0.000 0.868 38 V CB 0.805 32.292 31.823 -0.559 0.000 0.982 38 V HN 0.880 nan 8.190 nan 0.000 0.443 39 A N 4.075 126.645 122.820 -0.417 0.000 2.566 39 A HA 0.908 5.228 4.320 -0.001 0.000 0.292 39 A C -1.090 176.301 177.584 -0.321 0.000 1.112 39 A CA -0.613 51.192 52.037 -0.386 0.000 0.707 39 A CB 1.122 20.002 19.000 -0.200 0.000 1.302 39 A HN 0.514 nan 8.150 nan 0.000 0.409 40 F N 0.598 120.516 119.950 -0.052 0.000 2.459 40 F HA 0.554 5.081 4.527 -0.000 0.000 0.346 40 F C 1.278 177.067 175.800 -0.018 0.000 1.128 40 F CA 1.262 59.248 58.000 -0.023 0.000 1.268 40 F CB 1.003 40.002 39.000 -0.002 0.000 1.161 40 F HN 0.872 nan 8.300 nan 0.000 0.583 41 G N -0.574 108.338 108.800 0.187 0.000 2.793 41 G HA2 0.615 4.574 3.960 -0.001 0.000 0.248 41 G HA3 0.615 4.574 3.960 -0.001 0.000 0.248 41 G C -0.562 174.400 174.900 0.103 0.000 1.198 41 G CA -0.257 44.905 45.100 0.103 0.000 0.865 41 G HN 1.249 nan 8.290 nan 0.000 0.534 42 G N -0.909 107.938 108.800 0.078 0.000 2.911 42 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.686 42 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.686 42 G C 0.361 175.296 174.900 0.058 0.000 1.136 42 G CA 0.403 45.553 45.100 0.083 0.000 0.764 42 G HN 0.712 nan 8.290 nan 0.000 0.626 43 K N 0.957 121.388 120.400 0.051 0.000 2.097 43 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 43 K C 2.788 179.401 176.600 0.023 0.000 1.049 43 K CA 1.647 57.953 56.287 0.032 0.000 0.933 43 K CB -0.139 32.382 32.500 0.035 0.000 0.717 43 K HN 0.713 nan 8.250 nan 0.000 0.442 44 G N 1.484 110.334 108.800 0.084 0.000 2.480 44 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.216 44 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.216 44 G C 1.658 176.448 174.900 -0.184 0.000 1.200 44 G CA 1.065 46.236 45.100 0.119 0.000 0.782 44 G HN 0.361 nan 8.290 nan 0.000 0.554 45 A N 0.961 123.749 122.820 -0.054 0.000 1.933 45 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 45 A C 2.289 179.710 177.584 -0.272 0.000 1.175 45 A CA 1.983 53.838 52.037 -0.303 0.000 0.628 45 A CB -0.431 18.603 19.000 0.057 0.000 0.814 45 A HN 0.361 nan 8.150 nan 0.000 0.444 46 N N 0.048 118.668 118.700 -0.133 0.000 2.142 46 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 46 N C 1.897 177.313 175.510 -0.156 0.000 1.023 46 N CA 1.626 54.608 53.050 -0.113 0.000 0.852 46 N CB -0.495 37.962 38.487 -0.050 0.000 0.998 46 N HN 0.665 nan 8.380 nan 0.000 0.424 47 Q N 0.231 119.937 119.800 -0.155 0.000 2.119 47 Q HA 0.059 4.399 4.340 -0.001 0.000 0.201 47 Q C 2.045 177.905 176.000 -0.234 0.000 0.972 47 Q CA 1.309 57.020 55.803 -0.153 0.000 0.847 47 Q CB -0.137 28.543 28.738 -0.097 0.000 0.903 47 Q HN 0.384 nan 8.270 nan 0.000 0.433 48 A N 0.427 123.005 122.820 -0.404 0.000 1.933 48 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 48 A C 2.306 179.689 177.584 -0.335 0.000 1.175 48 A CA 1.294 53.048 52.037 -0.471 0.000 0.628 48 A CB -0.574 17.832 19.000 -0.990 0.000 0.814 48 A HN 0.208 nan 8.150 nan 0.000 0.444 49 V N -0.377 119.346 119.914 -0.318 0.000 2.379 49 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 49 V C 3.029 178.954 176.094 -0.281 0.000 1.044 49 V CA 1.677 63.810 62.300 -0.279 0.000 1.036 49 V CB -1.057 30.622 31.823 -0.241 0.000 0.664 49 V HN 0.606 nan 8.190 nan 0.000 0.453 50 A N 0.090 122.773 122.820 -0.228 0.000 1.908 50 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 50 A C 2.407 179.893 177.584 -0.164 0.000 1.181 50 A CA 2.170 54.089 52.037 -0.197 0.000 0.627 50 A CB -0.711 18.205 19.000 -0.140 0.000 0.818 50 A HN 0.555 nan 8.150 nan 0.000 0.445 51 A N -0.570 122.162 122.820 -0.146 0.000 1.873 51 A HA 0.170 4.489 4.320 -0.001 0.000 0.215 51 A C 2.439 179.963 177.584 -0.100 0.000 1.186 51 A CA 1.865 53.842 52.037 -0.099 0.000 0.616 51 A CB -1.404 17.537 19.000 -0.098 0.000 0.823 51 A HN 0.722 nan 8.150 nan 0.000 0.442 52 G N -0.743 107.972 108.800 -0.142 0.000 2.418 52 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.217 52 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.217 52 G C 1.774 176.585 174.900 -0.149 0.000 1.158 52 G CA 0.820 45.849 45.100 -0.118 0.000 0.771 52 G HN 0.534 nan 8.290 nan 0.000 0.545 53 R N 0.593 120.903 120.500 -0.317 0.000 2.115 53 R HA -0.019 4.321 4.340 -0.001 0.000 0.226 53 R C 2.833 179.054 176.300 -0.130 0.000 1.100 53 R CA 1.305 57.099 56.100 -0.509 0.000 0.980 53 R CB -0.193 29.476 30.300 -1.051 0.000 0.875 53 R HN 0.500 nan 8.270 nan 0.000 0.445 54 S N -0.995 114.659 115.700 -0.076 0.000 2.607 54 S HA 0.096 4.566 4.470 -0.001 0.000 0.224 54 S C 1.253 175.944 174.600 0.152 0.000 0.969 54 S CA 0.572 58.826 58.200 0.089 0.000 0.927 54 S CB 0.729 64.003 63.200 0.122 0.000 0.772 54 S HN 0.489 nan 8.310 nan 0.000 0.533 55 G N 0.032 108.881 108.800 0.082 0.000 2.205 55 G HA2 0.067 4.027 3.960 -0.001 0.000 0.180 55 G HA3 0.067 4.027 3.960 -0.001 0.000 0.180 55 G C 0.230 175.144 174.900 0.024 0.000 1.004 55 G CA -0.219 44.923 45.100 0.070 0.000 0.670 55 G HN 1.066 nan 8.290 nan 0.000 0.496 56 A N -0.010 122.812 122.820 0.003 0.000 2.386 56 A HA 0.581 4.900 4.320 -0.001 0.000 0.246 56 A C 0.553 178.131 177.584 -0.009 0.000 1.089 56 A CA 0.533 52.560 52.037 -0.016 0.000 0.790 56 A CB 0.300 19.282 19.000 -0.031 0.000 1.042 56 A HN 0.776 nan 8.150 nan 0.000 0.497 57 N N 1.071 119.764 118.700 -0.012 0.000 2.645 57 N HA 0.277 5.016 4.740 -0.001 0.000 0.233 57 N C -1.083 174.424 175.510 -0.005 0.000 1.058 57 N CA -0.197 52.851 53.050 -0.004 0.000 0.942 57 N CB 0.159 38.643 38.487 -0.005 0.000 1.210 57 N HN 0.548 nan 8.380 nan 0.000 0.512 58 I N 1.615 122.182 120.570 -0.004 0.000 2.608 58 I HA 0.736 4.906 4.170 -0.001 0.000 0.295 58 I C -1.260 174.869 176.117 0.020 0.000 1.049 58 I CA -0.780 60.518 61.300 -0.003 0.000 1.063 58 I CB 1.656 39.637 38.000 -0.031 0.000 1.248 58 I HN 0.430 nan 8.210 nan 0.000 0.424 59 A N 6.559 129.406 122.820 0.045 0.000 2.374 59 A HA 0.773 5.093 4.320 -0.001 0.000 0.317 59 A C -1.797 175.884 177.584 0.163 0.000 1.094 59 A CA -0.466 51.620 52.037 0.081 0.000 0.765 59 A CB 1.440 20.473 19.000 0.054 0.000 1.268 59 A HN 0.561 nan 8.150 nan 0.000 0.438 60 F N 2.279 122.215 119.950 -0.023 0.000 2.518 60 F HA 0.651 5.178 4.527 0.000 0.000 0.323 60 F C -0.995 174.792 175.800 -0.021 0.000 1.129 60 F CA -1.736 56.250 58.000 -0.024 0.000 0.920 60 F CB 1.159 40.139 39.000 -0.032 0.000 1.160 60 F HN 0.424 nan 8.300 nan 0.000 0.440 61 I N 6.298 126.841 120.570 -0.046 0.000 2.304 61 I HA 0.679 4.848 4.170 -0.001 0.000 0.291 61 I C -0.153 175.679 176.117 -0.475 0.000 1.018 61 I CA -0.259 60.919 61.300 -0.202 0.000 1.260 61 I CB 0.736 38.695 38.000 -0.069 0.000 1.390 61 I HN 0.773 nan 8.210 nan 0.000 0.475 62 A N 5.324 127.808 122.820 -0.560 0.000 2.586 62 A HA 0.772 5.091 4.320 -0.001 0.000 0.290 62 A C -1.708 175.677 177.584 -0.332 0.000 1.086 62 A CA -0.471 51.208 52.037 -0.596 0.000 0.665 62 A CB 1.631 19.910 19.000 -1.201 0.000 1.279 62 A HN 0.628 nan 8.150 nan 0.000 0.423 63 C N 0.241 119.406 119.300 -0.225 0.000 2.482 63 C HA 0.873 5.333 4.460 -0.001 0.000 0.317 63 C C 0.539 175.474 174.990 -0.092 0.000 1.197 63 C CA -0.284 58.654 59.018 -0.134 0.000 1.432 63 C CB 1.152 28.838 27.740 -0.090 0.000 2.062 63 C HN 0.949 nan 8.230 nan 0.000 0.471 64 T N 1.004 115.517 114.554 -0.068 0.000 2.940 64 T HA 0.751 5.101 4.350 -0.001 0.000 0.288 64 T C 0.464 175.160 174.700 -0.007 0.000 1.045 64 T CA 0.081 62.167 62.100 -0.024 0.000 1.018 64 T CB 1.442 70.297 68.868 -0.022 0.000 1.151 64 T HN 0.921 nan 8.240 nan 0.000 0.529 65 G N 0.169 108.980 108.800 0.019 0.000 2.525 65 G HA2 0.363 4.323 3.960 -0.001 0.000 0.287 65 G HA3 0.363 4.323 3.960 -0.001 0.000 0.287 65 G C -0.025 174.889 174.900 0.023 0.000 1.350 65 G CA -0.285 44.829 45.100 0.023 0.000 1.039 65 G HN 0.762 nan 8.290 nan 0.000 0.513 66 D N -0.623 119.791 120.400 0.024 0.000 2.559 66 D HA 0.071 4.711 4.640 -0.001 0.000 0.234 66 D C -0.193 176.127 176.300 0.033 0.000 1.226 66 D CA -0.433 53.582 54.000 0.024 0.000 0.830 66 D CB -0.307 40.502 40.800 0.015 0.000 1.028 66 D HN 0.297 nan 8.370 nan 0.000 0.492 67 D N -0.208 120.219 120.400 0.044 0.000 2.372 67 D HA 0.001 4.641 4.640 -0.001 0.000 0.243 67 D C 1.085 177.420 176.300 0.059 0.000 1.297 67 D CA -0.511 53.520 54.000 0.051 0.000 0.958 67 D CB 0.414 41.251 40.800 0.062 0.000 1.114 67 D HN -0.171 nan 8.370 nan 0.000 0.496 68 S N -0.999 114.738 115.700 0.062 0.000 2.368 68 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 68 S C 1.824 176.484 174.600 0.100 0.000 1.030 68 S CA 0.251 58.492 58.200 0.068 0.000 0.999 68 S CB -0.419 62.816 63.200 0.058 0.000 0.844 68 S HN 0.514 nan 8.310 nan 0.000 0.459 69 I N 1.137 121.778 120.570 0.118 0.000 2.394 69 I HA -0.127 4.043 4.170 -0.001 0.000 0.251 69 I C 2.253 178.495 176.117 0.209 0.000 1.136 69 I CA 1.046 62.466 61.300 0.200 0.000 1.425 69 I CB -0.497 37.598 38.000 0.158 0.000 1.079 69 I HN 0.384 nan 8.210 nan 0.000 0.425 70 G N -0.034 108.841 108.800 0.124 0.000 2.422 70 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 70 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 70 G C 1.417 176.343 174.900 0.044 0.000 1.146 70 G CA 0.362 45.507 45.100 0.075 0.000 0.769 70 G HN 0.362 nan 8.290 nan 0.000 0.547 71 E N 0.597 120.829 120.200 0.053 0.000 2.481 71 E HA 0.071 4.420 4.350 -0.001 0.000 0.195 71 E C 2.029 178.651 176.600 0.037 0.000 1.047 71 E CA 0.283 56.704 56.400 0.034 0.000 0.867 71 E CB 0.364 30.086 29.700 0.037 0.000 0.858 71 E HN 0.368 nan 8.360 nan 0.000 0.513 72 S N -0.138 115.603 115.700 0.068 0.000 2.506 72 S HA 0.018 4.488 4.470 -0.001 0.000 0.219 72 S C 1.810 176.359 174.600 -0.085 0.000 1.031 72 S CA -0.128 58.122 58.200 0.083 0.000 0.911 72 S CB 0.654 64.005 63.200 0.252 0.000 0.812 72 S HN 0.058 nan 8.310 nan 0.000 0.497 73 V N 2.597 122.383 119.914 -0.213 0.000 2.453 73 V HA -0.068 4.052 4.120 -0.001 0.000 0.247 73 V C 2.146 178.008 176.094 -0.386 0.000 1.048 73 V CA 1.655 63.547 62.300 -0.679 0.000 1.049 73 V CB -0.325 31.207 31.823 -0.484 0.000 0.672 73 V HN 0.345 nan 8.190 nan 0.000 0.457 74 R N -0.573 119.822 120.500 -0.174 0.000 2.096 74 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 74 R C 2.313 178.561 176.300 -0.087 0.000 1.127 74 R CA 1.854 57.895 56.100 -0.099 0.000 0.968 74 R CB -0.314 29.955 30.300 -0.053 0.000 0.861 74 R HN 0.544 nan 8.270 nan 0.000 0.440 75 Q N 0.174 119.924 119.800 -0.084 0.000 2.124 75 Q HA -0.215 4.125 4.340 -0.001 0.000 0.202 75 Q C 2.055 178.021 176.000 -0.058 0.000 0.977 75 Q CA 1.582 57.358 55.803 -0.046 0.000 0.850 75 Q CB -0.033 28.696 28.738 -0.016 0.000 0.901 75 Q HN 0.262 nan 8.270 nan 0.000 0.429 76 Q N 0.393 120.107 119.800 -0.145 0.000 2.046 76 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 76 Q C 1.780 177.725 176.000 -0.092 0.000 0.975 76 Q CA 1.214 56.945 55.803 -0.120 0.000 0.836 76 Q CB -0.094 28.466 28.738 -0.297 0.000 0.896 76 Q HN 0.391 nan 8.270 nan 0.000 0.428 77 L N 0.114 121.250 121.223 -0.146 0.000 2.083 77 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 77 L C 2.509 179.366 176.870 -0.021 0.000 1.083 77 L CA 0.939 55.734 54.840 -0.074 0.000 0.752 77 L CB -0.814 41.226 42.059 -0.032 0.000 0.899 77 L HN 0.351 nan 8.230 nan 0.000 0.433 78 A N 0.261 123.076 122.820 -0.008 0.000 1.986 78 A HA -0.264 4.056 4.320 -0.001 0.000 0.220 78 A C 2.384 179.991 177.584 0.038 0.000 1.171 78 A CA 2.361 54.408 52.037 0.016 0.000 0.640 78 A CB -1.027 17.980 19.000 0.013 0.000 0.811 78 A HN 0.553 nan 8.150 nan 0.000 0.451 79 T N -3.030 111.555 114.554 0.051 0.000 3.113 79 T HA -0.036 4.314 4.350 -0.001 0.000 0.263 79 T C 0.560 175.367 174.700 0.178 0.000 1.143 79 T CA 1.156 63.319 62.100 0.105 0.000 1.090 79 T CB -0.277 68.659 68.868 0.113 0.000 0.922 79 T HN 0.396 nan 8.240 nan 0.000 0.521 80 D N 2.335 122.789 120.400 0.091 0.000 2.434 80 D HA 0.121 4.760 4.640 -0.001 0.000 0.232 80 D C 0.099 176.402 176.300 0.005 0.000 1.166 80 D CA -0.118 53.892 54.000 0.018 0.000 0.830 80 D CB -0.200 40.519 40.800 -0.135 0.000 0.960 80 D HN 0.338 nan 8.370 nan 0.000 0.497 81 N N 0.641 119.386 118.700 0.076 0.000 2.758 81 N HA -0.189 4.550 4.740 -0.001 0.000 0.248 81 N C -0.446 175.072 175.510 0.013 0.000 1.076 81 N CA 0.604 53.688 53.050 0.058 0.000 0.696 81 N CB -1.474 37.058 38.487 0.075 0.000 0.979 81 N HN 0.431 nan 8.380 nan 0.000 0.550 82 I N 0.282 120.856 120.570 0.007 0.000 2.433 82 I HA 0.143 4.313 4.170 -0.001 0.000 0.292 82 I C 0.368 176.505 176.117 0.034 0.000 1.001 82 I CA -0.814 60.489 61.300 0.006 0.000 1.119 82 I CB 1.799 39.792 38.000 -0.012 0.000 1.289 82 I HN -0.134 nan 8.210 nan 0.000 0.438 83 D N 6.900 127.326 120.400 0.042 0.000 2.336 83 D HA 0.138 4.778 4.640 -0.001 0.000 0.249 83 D C 0.409 176.746 176.300 0.061 0.000 1.213 83 D CA -0.284 53.741 54.000 0.042 0.000 0.870 83 D CB 0.936 41.757 40.800 0.034 0.000 1.076 83 D HN 0.417 nan 8.370 nan 0.000 0.483 84 I N 1.148 121.746 120.570 0.047 0.000 3.855 84 I HA 0.161 4.331 4.170 -0.001 0.000 0.327 84 I C 1.497 177.618 176.117 0.007 0.000 1.359 84 I CA -0.404 60.924 61.300 0.046 0.000 1.142 84 I CB -0.501 37.521 38.000 0.037 0.000 1.041 84 I HN 0.070 nan 8.210 nan 0.000 0.403 85 T N 2.611 117.170 114.554 0.008 0.000 2.699 85 T HA -0.054 4.295 4.350 -0.001 0.000 0.268 85 T C -0.566 174.120 174.700 -0.023 0.000 1.036 85 T CA 2.087 64.183 62.100 -0.006 0.000 1.147 85 T CB -1.105 67.763 68.868 -0.001 0.000 0.862 85 T HN 0.422 nan 8.240 nan 0.000 0.446 86 P HA 0.283 nan 4.420 nan 0.000 0.256 86 P C -0.630 176.597 177.300 -0.121 0.000 1.384 86 P CA 0.099 63.165 63.100 -0.058 0.000 0.879 86 P CB -0.177 31.498 31.700 -0.041 0.000 1.403 87 V N 0.408 120.247 119.914 -0.126 0.000 2.368 87 V HA 0.170 4.290 4.120 -0.001 0.000 0.266 87 V C 0.699 176.721 176.094 -0.121 0.000 1.045 87 V CA 0.092 62.278 62.300 -0.191 0.000 0.899 87 V CB 0.609 32.330 31.823 -0.170 0.000 1.006 87 V HN 0.048 nan 8.190 nan 0.000 0.470 88 S N 3.876 119.501 115.700 -0.125 0.000 2.585 88 S HA 0.570 5.039 4.470 -0.001 0.000 0.277 88 S C -0.155 174.404 174.600 -0.068 0.000 1.241 88 S CA -0.499 57.653 58.200 -0.080 0.000 1.041 88 S CB 1.807 64.963 63.200 -0.074 0.000 0.987 88 S HN 0.455 nan 8.310 nan 0.000 0.512 89 V N 4.192 124.079 119.914 -0.045 0.000 2.370 89 V HA 0.344 4.464 4.120 -0.001 0.000 0.283 89 V C -0.443 175.638 176.094 -0.023 0.000 1.023 89 V CA -0.651 61.631 62.300 -0.030 0.000 0.857 89 V CB 1.127 32.938 31.823 -0.020 0.000 0.985 89 V HN 0.676 nan 8.190 nan 0.000 0.443 90 I N 5.243 125.801 120.570 -0.019 0.000 2.297 90 I HA 0.332 4.501 4.170 -0.001 0.000 0.291 90 I C 0.462 176.576 176.117 -0.004 0.000 1.033 90 I CA -0.659 60.632 61.300 -0.014 0.000 1.253 90 I CB 0.913 38.903 38.000 -0.017 0.000 1.396 90 I HN 0.593 nan 8.210 nan 0.000 0.476 91 K N 3.888 124.286 120.400 -0.003 0.000 2.326 91 K HA 0.462 4.782 4.320 -0.001 0.000 0.275 91 K C 1.113 177.717 176.600 0.005 0.000 1.018 91 K CA 0.265 56.553 56.287 0.002 0.000 0.962 91 K CB 0.375 32.876 32.500 0.002 0.000 0.953 91 K HN 0.845 nan 8.250 nan 0.000 0.475 92 G N 0.978 109.784 108.800 0.010 0.000 2.159 92 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.256 92 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.256 92 G C -0.341 174.569 174.900 0.017 0.000 0.977 92 G CA -0.044 45.063 45.100 0.012 0.000 0.652 92 G HN 0.574 nan 8.290 nan 0.000 0.531 93 E N -0.479 119.733 120.200 0.019 0.000 2.393 93 E HA 0.626 4.976 4.350 -0.001 0.000 0.273 93 E C -0.849 175.774 176.600 0.038 0.000 0.918 93 E CA -0.681 55.736 56.400 0.027 0.000 0.773 93 E CB 1.922 31.632 29.700 0.017 0.000 1.275 93 E HN 0.094 nan 8.360 nan 0.000 0.451 94 S N 0.398 116.131 115.700 0.057 0.000 2.593 94 S HA 0.349 4.819 4.470 -0.001 0.000 0.297 94 S C -0.340 174.307 174.600 0.078 0.000 1.112 94 S CA -0.638 57.604 58.200 0.070 0.000 1.043 94 S CB 1.584 64.834 63.200 0.084 0.000 1.054 94 S HN 0.386 nan 8.310 nan 0.000 0.516 95 T N 2.479 117.083 114.554 0.084 0.000 2.932 95 T HA 0.276 4.625 4.350 -0.001 0.000 0.312 95 T C 1.022 175.788 174.700 0.111 0.000 1.071 95 T CA -0.089 62.063 62.100 0.087 0.000 1.128 95 T CB 0.210 69.141 68.868 0.104 0.000 0.984 95 T HN 0.731 nan 8.240 nan 0.000 0.549 96 G N 1.062 109.914 108.800 0.085 0.000 2.562 96 G HA2 0.379 4.338 3.960 -0.001 0.000 0.233 96 G HA3 0.379 4.338 3.960 -0.001 0.000 0.233 96 G C -0.599 174.386 174.900 0.143 0.000 1.266 96 G CA -0.411 44.743 45.100 0.091 0.000 0.852 96 G HN 0.641 nan 8.290 nan 0.000 0.581 97 V N 0.515 120.530 119.914 0.168 0.000 2.823 97 V HA 0.773 4.892 4.120 -0.001 0.000 0.312 97 V C 0.258 176.431 176.094 0.131 0.000 1.072 97 V CA -0.451 61.951 62.300 0.170 0.000 0.937 97 V CB 1.881 33.776 31.823 0.120 0.000 1.013 97 V HN 1.219 nan 8.190 nan 0.000 0.430 98 A N 4.593 127.499 122.820 0.144 0.000 2.355 98 A HA 0.903 5.222 4.320 -0.001 0.000 0.317 98 A C -1.209 176.422 177.584 0.079 0.000 1.094 98 A CA -0.551 51.535 52.037 0.081 0.000 0.764 98 A CB 1.147 20.185 19.000 0.063 0.000 1.230 98 A HN 0.752 nan 8.150 nan 0.000 0.448 99 L N 3.220 124.426 121.223 -0.028 0.000 2.305 99 L HA 0.574 4.914 4.340 -0.001 0.000 0.284 99 L C -0.909 175.833 176.870 -0.213 0.000 1.013 99 L CA -0.177 54.598 54.840 -0.109 0.000 0.819 99 L CB 1.132 43.075 42.059 -0.193 0.000 1.227 99 L HN 0.579 nan 8.230 nan 0.000 0.417 100 I N 2.756 123.213 120.570 -0.189 0.000 2.498 100 I HA 0.432 4.601 4.170 -0.001 0.000 0.290 100 I C -0.990 175.038 176.117 -0.148 0.000 1.032 100 I CA -0.455 60.748 61.300 -0.163 0.000 1.073 100 I CB 2.259 40.254 38.000 -0.009 0.000 1.251 100 I HN 0.279 nan 8.210 nan 0.000 0.426 101 F N 5.103 125.143 119.950 0.151 0.000 2.469 101 F HA 0.561 5.088 4.527 -0.000 0.000 0.332 101 F C 0.021 176.026 175.800 0.341 0.000 1.103 101 F CA -1.058 57.089 58.000 0.246 0.000 0.979 101 F CB 1.794 40.999 39.000 0.341 0.000 1.137 101 F HN -0.049 nan 8.300 nan 0.000 0.463 102 V N 4.332 124.521 119.914 0.458 0.000 2.407 102 V HA 0.311 4.431 4.120 -0.001 0.000 0.291 102 V C -0.200 175.973 176.094 0.131 0.000 1.018 102 V CA -0.947 61.536 62.300 0.306 0.000 0.842 102 V CB 1.342 33.279 31.823 0.190 0.000 0.996 102 V HN 0.811 nan 8.190 nan 0.000 0.426 103 N N 4.088 122.734 118.700 -0.089 0.000 2.366 103 N HA 0.276 5.016 4.740 -0.001 0.000 0.277 103 N C 1.405 176.817 175.510 -0.164 0.000 1.275 103 N CA 0.124 52.963 53.050 -0.351 0.000 0.964 103 N CB 0.707 38.620 38.487 -0.957 0.000 1.167 103 N HN 0.472 nan 8.380 nan 0.000 0.568 104 G N -0.864 107.831 108.800 -0.175 0.000 2.432 104 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 104 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 104 G C 0.835 175.693 174.900 -0.070 0.000 1.135 104 G CA 0.484 45.526 45.100 -0.095 0.000 0.767 104 G HN 0.766 nan 8.290 nan 0.000 0.550 105 E N -0.312 119.836 120.200 -0.086 0.000 2.481 105 E HA 0.267 4.617 4.350 -0.001 0.000 0.195 105 E C 1.736 178.327 176.600 -0.015 0.000 1.047 105 E CA 0.217 56.591 56.400 -0.043 0.000 0.867 105 E CB 0.094 29.771 29.700 -0.038 0.000 0.858 105 E HN 0.415 nan 8.360 nan 0.000 0.513 106 G N 2.019 110.813 108.800 -0.011 0.000 2.157 106 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.239 106 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.239 106 G C 0.094 175.037 174.900 0.072 0.000 0.982 106 G CA 0.210 45.328 45.100 0.029 0.000 0.650 106 G HN 0.246 nan 8.290 nan 0.000 0.527 107 E N 1.369 121.628 120.200 0.098 0.000 2.345 107 E HA 0.600 4.950 4.350 -0.001 0.000 0.259 107 E C 0.624 177.453 176.600 0.380 0.000 1.117 107 E CA -0.327 56.201 56.400 0.213 0.000 0.913 107 E CB 0.406 30.265 29.700 0.265 0.000 1.057 107 E HN 0.578 nan 8.360 nan 0.000 0.432 108 N N 0.363 119.276 118.700 0.355 0.000 2.455 108 N HA 0.537 5.276 4.740 -0.001 0.000 0.278 108 N C -1.330 174.226 175.510 0.076 0.000 1.291 108 N CA -0.701 52.546 53.050 0.328 0.000 0.780 108 N CB 1.675 40.267 38.487 0.175 0.000 1.520 108 N HN 0.270 nan 8.380 nan 0.000 0.486 109 V N -2.144 117.734 119.914 -0.059 0.000 2.709 109 V HA 0.727 4.847 4.120 -0.001 0.000 0.308 109 V C -0.663 175.364 176.094 -0.111 0.000 1.062 109 V CA -0.749 61.425 62.300 -0.211 0.000 0.901 109 V CB 1.258 32.820 31.823 -0.435 0.000 1.003 109 V HN 0.704 nan 8.190 nan 0.000 0.425 110 I N 3.265 123.778 120.570 -0.095 0.000 2.582 110 I HA 0.805 4.974 4.170 -0.001 0.000 0.292 110 I C 0.430 176.500 176.117 -0.077 0.000 1.066 110 I CA -0.620 60.630 61.300 -0.082 0.000 1.053 110 I CB 2.431 40.410 38.000 -0.035 0.000 1.241 110 I HN 0.934 nan 8.210 nan 0.000 0.421 111 G N 6.649 115.397 108.800 -0.086 0.000 2.544 111 G HA2 0.746 4.706 3.960 -0.001 0.000 0.313 111 G HA3 0.746 4.706 3.960 -0.001 0.000 0.313 111 G C -0.847 174.039 174.900 -0.023 0.000 1.316 111 G CA -0.476 44.591 45.100 -0.055 0.000 0.944 111 G HN 0.645 nan 8.290 nan 0.000 0.489 112 I N -0.377 120.197 120.570 0.006 0.000 2.797 112 I HA 0.785 4.955 4.170 -0.001 0.000 0.307 112 I C -0.965 175.201 176.117 0.082 0.000 1.033 112 I CA -1.386 59.937 61.300 0.039 0.000 1.071 112 I CB 2.600 40.617 38.000 0.028 0.000 1.255 112 I HN 0.497 nan 8.210 nan 0.000 0.445 113 H N 3.245 122.311 119.070 -0.007 0.000 2.658 113 H HA 0.667 5.222 4.556 -0.000 0.000 0.337 113 H C 0.305 175.636 175.328 0.006 0.000 1.009 113 H CA -0.035 56.009 56.048 -0.006 0.000 1.231 113 H CB 2.158 31.912 29.762 -0.013 0.000 1.508 113 H HN 0.830 nan 8.280 nan 0.000 0.517 114 A N 4.316 126.902 122.820 -0.390 0.000 1.883 114 A HA 0.131 4.451 4.320 -0.001 0.000 0.217 114 A C 1.922 179.346 177.584 -0.267 0.000 1.186 114 A CA 1.577 53.451 52.037 -0.271 0.000 0.624 114 A CB -1.381 17.485 19.000 -0.224 0.000 0.822 114 A HN 1.366 nan 8.150 nan 0.000 0.444 115 G N -1.533 106.960 108.800 -0.512 0.000 2.614 115 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.303 115 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.303 115 G C 1.309 176.159 174.900 -0.083 0.000 1.270 115 G CA 1.696 46.700 45.100 -0.161 0.000 0.988 115 G HN 1.638 nan 8.290 nan 0.000 0.551 116 A N -0.249 122.557 122.820 -0.024 0.000 2.172 116 A HA 0.015 4.335 4.320 -0.001 0.000 0.216 116 A C 2.140 179.700 177.584 -0.040 0.000 1.154 116 A CA 2.020 54.043 52.037 -0.024 0.000 0.701 116 A CB -0.444 18.551 19.000 -0.008 0.000 0.789 116 A HN 0.612 nan 8.150 nan 0.000 0.465 117 N N 0.768 119.441 118.700 -0.044 0.000 2.223 117 N HA -0.114 4.626 4.740 -0.001 0.000 0.185 117 N C 1.715 177.194 175.510 -0.052 0.000 1.016 117 N CA 1.295 54.318 53.050 -0.045 0.000 0.863 117 N CB -0.387 38.080 38.487 -0.033 0.000 0.983 117 N HN 0.487 nan 8.380 nan 0.000 0.429 118 A N 0.460 123.241 122.820 -0.065 0.000 2.216 118 A HA 0.135 4.455 4.320 -0.001 0.000 0.214 118 A C 2.029 179.586 177.584 -0.045 0.000 1.160 118 A CA 1.278 53.281 52.037 -0.058 0.000 0.725 118 A CB -0.271 18.685 19.000 -0.073 0.000 0.784 118 A HN 0.291 nan 8.150 nan 0.000 0.472 119 A N -0.994 121.801 122.820 -0.043 0.000 2.238 119 A HA 0.374 4.693 4.320 -0.001 0.000 0.210 119 A C 0.928 178.488 177.584 -0.041 0.000 1.179 119 A CA -0.175 51.840 52.037 -0.037 0.000 0.827 119 A CB -0.229 18.751 19.000 -0.033 0.000 0.856 119 A HN 0.483 nan 8.150 nan 0.000 0.488 120 L N 2.648 123.842 121.223 -0.047 0.000 2.454 120 L HA 0.205 4.545 4.340 -0.001 0.000 0.284 120 L C 0.393 177.241 176.870 -0.037 0.000 1.139 120 L CA -0.372 54.438 54.840 -0.051 0.000 0.911 120 L CB 0.205 42.226 42.059 -0.063 0.000 1.262 120 L HN 0.462 nan 8.230 nan 0.000 0.453 121 S N 3.660 119.341 115.700 -0.032 0.000 2.745 121 S HA 0.574 5.043 4.470 -0.001 0.000 0.292 121 S C -1.995 172.593 174.600 -0.020 0.000 1.133 121 S CA -1.344 56.842 58.200 -0.024 0.000 0.998 121 S CB 1.372 64.559 63.200 -0.021 0.000 1.087 121 S HN 0.344 nan 8.310 nan 0.000 0.551 122 P HA 0.003 nan 4.420 nan 0.000 0.218 122 P C 1.433 178.726 177.300 -0.011 0.000 1.148 122 P CA 1.821 64.915 63.100 -0.011 0.000 0.822 122 P CB -0.245 31.450 31.700 -0.008 0.000 0.784 123 A N -0.698 122.115 122.820 -0.013 0.000 1.930 123 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 123 A C 2.158 179.732 177.584 -0.016 0.000 1.175 123 A CA 1.190 53.219 52.037 -0.013 0.000 0.627 123 A CB -1.459 17.534 19.000 -0.013 0.000 0.815 123 A HN 0.110 nan 8.150 nan 0.000 0.443 124 L N -0.553 120.657 121.223 -0.021 0.000 2.156 124 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 124 L C 2.449 179.305 176.870 -0.025 0.000 1.095 124 L CA 0.749 55.573 54.840 -0.027 0.000 0.770 124 L CB -0.541 41.495 42.059 -0.037 0.000 0.914 124 L HN 0.240 nan 8.230 nan 0.000 0.439 125 V N 0.103 120.005 119.914 -0.020 0.000 2.343 125 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 125 V C 2.488 178.577 176.094 -0.009 0.000 1.051 125 V CA 1.903 64.195 62.300 -0.014 0.000 1.036 125 V CB -0.357 31.461 31.823 -0.008 0.000 0.654 125 V HN 0.400 nan 8.190 nan 0.000 0.451 126 E N 0.858 121.053 120.200 -0.008 0.000 2.153 126 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 126 E C 2.038 178.634 176.600 -0.006 0.000 0.988 126 E CA 1.395 57.792 56.400 -0.005 0.000 0.811 126 E CB -0.441 29.257 29.700 -0.004 0.000 0.746 126 E HN 0.529 nan 8.360 nan 0.000 0.466 127 A N 0.041 122.855 122.820 -0.010 0.000 2.125 127 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 127 A C 1.550 179.127 177.584 -0.011 0.000 1.156 127 A CA 1.079 53.110 52.037 -0.011 0.000 0.671 127 A CB -0.145 18.846 19.000 -0.015 0.000 0.794 127 A HN 0.171 nan 8.150 nan 0.000 0.459 128 Q N -1.005 118.789 119.800 -0.010 0.000 2.188 128 Q HA 0.142 4.482 4.340 -0.001 0.000 0.212 128 Q C 1.482 177.481 176.000 -0.002 0.000 0.846 128 Q CA -0.078 55.721 55.803 -0.007 0.000 0.989 128 Q CB 0.122 28.855 28.738 -0.010 0.000 1.114 128 Q HN 0.794 nan 8.270 nan 0.000 0.488 129 R N 1.419 121.919 120.500 -0.001 0.000 2.096 129 R HA -0.206 4.133 4.340 -0.001 0.000 0.240 129 R C 1.797 178.099 176.300 0.002 0.000 1.139 129 R CA 1.914 58.015 56.100 0.002 0.000 0.952 129 R CB 0.160 30.461 30.300 0.002 0.000 0.854 129 R HN 0.289 nan 8.270 nan 0.000 0.436 130 E N 0.110 120.310 120.200 0.000 0.000 2.077 130 E HA -0.249 4.101 4.350 -0.001 0.000 0.193 130 E C 2.186 178.787 176.600 0.001 0.000 0.989 130 E CA 1.125 57.525 56.400 -0.000 0.000 0.800 130 E CB -0.060 29.639 29.700 -0.001 0.000 0.746 130 E HN 0.292 nan 8.360 nan 0.000 0.452 131 R N 0.365 120.866 120.500 0.002 0.000 2.081 131 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 131 R C 2.337 178.641 176.300 0.007 0.000 1.131 131 R CA 1.617 57.719 56.100 0.004 0.000 0.960 131 R CB -0.229 30.075 30.300 0.005 0.000 0.856 131 R HN 0.241 nan 8.270 nan 0.000 0.436 132 I N 0.558 121.133 120.570 0.008 0.000 2.252 132 I HA -0.181 3.988 4.170 -0.001 0.000 0.245 132 I C 2.558 178.680 176.117 0.008 0.000 1.102 132 I CA 1.141 62.448 61.300 0.011 0.000 1.385 132 I CB -0.319 37.689 38.000 0.014 0.000 1.064 132 I HN 0.278 nan 8.210 nan 0.000 0.414 133 A N 0.888 123.711 122.820 0.005 0.000 1.933 133 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 133 A C 1.960 179.542 177.584 -0.003 0.000 1.175 133 A CA 1.883 53.920 52.037 0.000 0.000 0.628 133 A CB -0.576 18.423 19.000 -0.001 0.000 0.814 133 A HN 0.401 nan 8.150 nan 0.000 0.444 134 N N 0.069 118.767 118.700 -0.002 0.000 2.446 134 N HA 0.160 4.900 4.740 -0.001 0.000 0.179 134 N C 0.681 176.189 175.510 -0.003 0.000 1.054 134 N CA 0.792 53.840 53.050 -0.003 0.000 0.905 134 N CB -0.416 38.069 38.487 -0.002 0.000 0.973 134 N HN 0.495 nan 8.380 nan 0.000 0.448 135 A N -0.219 122.600 122.820 -0.000 0.000 2.332 135 A HA 0.362 4.682 4.320 -0.001 0.000 0.258 135 A C 1.219 178.800 177.584 -0.004 0.000 1.087 135 A CA -0.239 51.798 52.037 -0.000 0.000 0.802 135 A CB 0.421 19.424 19.000 0.006 0.000 1.042 135 A HN 0.171 nan 8.150 nan 0.000 0.489 136 S N -0.200 115.496 115.700 -0.008 0.000 2.458 136 S HA 0.394 4.864 4.470 -0.001 0.000 0.223 136 S C 0.718 175.312 174.600 -0.009 0.000 1.019 136 S CA 0.829 59.022 58.200 -0.012 0.000 0.937 136 S CB -0.053 63.137 63.200 -0.017 0.000 0.788 136 S HN 1.297 nan 8.310 nan 0.000 0.511 137 A N 0.638 123.455 122.820 -0.005 0.000 2.594 137 A HA 0.752 5.071 4.320 -0.001 0.000 0.295 137 A C -1.890 175.698 177.584 0.007 0.000 1.071 137 A CA -0.648 51.389 52.037 -0.001 0.000 0.685 137 A CB 1.265 20.259 19.000 -0.009 0.000 1.285 137 A HN 0.217 nan 8.150 nan 0.000 0.405 138 L N 1.567 122.798 121.223 0.015 0.000 2.376 138 L HA 0.813 5.152 4.340 -0.001 0.000 0.275 138 L C -1.642 175.243 176.870 0.024 0.000 0.987 138 L CA -0.576 54.278 54.840 0.024 0.000 0.828 138 L CB 1.554 43.630 42.059 0.029 0.000 1.249 138 L HN 0.751 nan 8.230 nan 0.000 0.409 139 L N 6.023 127.262 121.223 0.026 0.000 2.313 139 L HA 0.773 5.113 4.340 -0.001 0.000 0.283 139 L C -1.098 175.796 176.870 0.039 0.000 1.013 139 L CA -0.066 54.788 54.840 0.023 0.000 0.816 139 L CB 1.390 43.450 42.059 0.003 0.000 1.236 139 L HN 0.767 nan 8.230 nan 0.000 0.419 140 M N 3.527 123.151 119.600 0.039 0.000 2.631 140 M HA 0.562 5.042 4.480 -0.001 0.000 0.288 140 M C -1.003 175.322 176.300 0.042 0.000 1.260 140 M CA -0.718 54.611 55.300 0.048 0.000 0.842 140 M CB 2.528 35.153 32.600 0.042 0.000 1.743 140 M HN 0.572 nan 8.290 nan 0.000 0.461 141 Q N 0.338 120.165 119.800 0.046 0.000 3.156 141 Q HA 0.650 4.990 4.340 -0.001 0.000 0.301 141 Q C -0.659 175.360 176.000 0.031 0.000 1.026 141 Q CA -0.788 55.038 55.803 0.038 0.000 0.827 141 Q CB 1.217 29.979 28.738 0.041 0.000 1.490 141 Q HN 0.664 nan 8.270 nan 0.000 0.492 142 L N 0.920 122.158 121.223 0.025 0.000 3.141 142 L HA 0.361 4.701 4.340 -0.001 0.000 0.267 142 L C 0.070 176.947 176.870 0.013 0.000 1.281 142 L CA 0.227 55.076 54.840 0.016 0.000 1.037 142 L CB 0.329 42.395 42.059 0.011 0.000 1.407 142 L HN 0.627 nan 8.230 nan 0.000 0.566 143 E N -0.436 119.777 120.200 0.020 0.000 2.465 143 E HA 0.180 4.529 4.350 -0.001 0.000 0.195 143 E C -0.002 176.604 176.600 0.010 0.000 1.028 143 E CA -0.123 56.287 56.400 0.016 0.000 0.899 143 E CB 0.847 30.565 29.700 0.029 0.000 1.032 143 E HN 0.205 nan 8.360 nan 0.000 0.468 144 S N 1.314 117.020 115.700 0.009 0.000 2.566 144 S HA 0.413 4.883 4.470 -0.001 0.000 0.298 144 S C -2.552 172.044 174.600 -0.007 0.000 1.083 144 S CA -1.403 56.797 58.200 -0.001 0.000 0.978 144 S CB 1.668 64.872 63.200 0.007 0.000 1.073 144 S HN -0.088 nan 8.310 nan 0.000 0.491 145 P HA 0.025 nan 4.420 nan 0.000 0.264 145 P C 0.822 178.116 177.300 -0.009 0.000 1.183 145 P CA -0.206 62.885 63.100 -0.015 0.000 0.763 145 P CB 0.355 32.043 31.700 -0.019 0.000 0.807 146 L N 4.560 125.778 121.223 -0.008 0.000 2.081 146 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 146 L C 1.628 178.494 176.870 -0.006 0.000 1.080 146 L CA 2.088 56.924 54.840 -0.006 0.000 0.754 146 L CB -0.960 41.095 42.059 -0.007 0.000 0.893 146 L HN 0.308 nan 8.230 nan 0.000 0.433 147 E N -0.774 119.421 120.200 -0.008 0.000 2.110 147 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 147 E C 2.162 178.758 176.600 -0.006 0.000 0.988 147 E CA 1.406 57.802 56.400 -0.007 0.000 0.804 147 E CB -0.501 29.194 29.700 -0.009 0.000 0.745 147 E HN 0.472 nan 8.360 nan 0.000 0.458 148 S N 0.094 115.790 115.700 -0.008 0.000 2.387 148 S HA -0.074 4.396 4.470 -0.001 0.000 0.226 148 S C 2.128 176.728 174.600 -0.001 0.000 1.026 148 S CA 0.770 58.967 58.200 -0.007 0.000 0.972 148 S CB -0.201 62.992 63.200 -0.012 0.000 0.814 148 S HN 0.063 nan 8.310 nan 0.000 0.477 149 V N 2.509 122.424 119.914 0.002 0.000 2.287 149 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 149 V C 2.287 178.385 176.094 0.006 0.000 1.053 149 V CA 1.856 64.160 62.300 0.008 0.000 1.027 149 V CB -0.681 31.147 31.823 0.008 0.000 0.646 149 V HN 0.478 nan 8.190 nan 0.000 0.447 150 M N -0.307 119.293 119.600 0.001 0.000 2.117 150 M HA -0.156 4.323 4.480 -0.001 0.000 0.262 150 M C 2.397 178.698 176.300 0.002 0.000 1.065 150 M CA 2.119 57.417 55.300 -0.002 0.000 1.114 150 M CB -0.601 31.995 32.600 -0.006 0.000 1.361 150 M HN 0.412 nan 8.290 nan 0.000 0.408 151 A N 0.323 123.145 122.820 0.002 0.000 1.902 151 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 151 A C 2.334 179.925 177.584 0.012 0.000 1.181 151 A CA 1.992 54.032 52.037 0.005 0.000 0.623 151 A CB -0.844 18.157 19.000 0.001 0.000 0.818 151 A HN 0.513 nan 8.150 nan 0.000 0.443 152 A N -0.411 122.416 122.820 0.012 0.000 1.930 152 A HA 0.305 4.625 4.320 -0.001 0.000 0.215 152 A C 2.468 180.069 177.584 0.029 0.000 1.176 152 A CA 1.635 53.684 52.037 0.019 0.000 0.632 152 A CB -0.901 18.110 19.000 0.018 0.000 0.819 152 A HN 0.993 nan 8.150 nan 0.000 0.445 153 A N 0.199 123.035 122.820 0.027 0.000 1.908 153 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 153 A C 2.107 179.725 177.584 0.058 0.000 1.181 153 A CA 2.110 54.169 52.037 0.036 0.000 0.627 153 A CB -0.461 18.549 19.000 0.017 0.000 0.818 153 A HN 0.562 nan 8.150 nan 0.000 0.445 154 K N -0.230 120.195 120.400 0.041 0.000 2.026 154 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 154 K C 1.795 178.445 176.600 0.083 0.000 1.048 154 K CA 1.672 57.995 56.287 0.060 0.000 0.929 154 K CB -0.345 32.173 32.500 0.030 0.000 0.713 154 K HN 0.489 nan 8.250 nan 0.000 0.439 155 I N 0.952 121.553 120.570 0.052 0.000 2.226 155 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 155 I C 2.500 178.644 176.117 0.045 0.000 1.100 155 I CA 1.246 62.571 61.300 0.041 0.000 1.374 155 I CB -0.410 37.605 38.000 0.025 0.000 1.057 155 I HN 0.303 nan 8.210 nan 0.000 0.413 156 A N 0.113 122.966 122.820 0.055 0.000 1.877 156 A HA -0.311 4.009 4.320 -0.001 0.000 0.216 156 A C 2.188 179.808 177.584 0.060 0.000 1.186 156 A CA 2.128 54.194 52.037 0.049 0.000 0.620 156 A CB -1.053 17.978 19.000 0.053 0.000 0.822 156 A HN 0.505 nan 8.150 nan 0.000 0.443 157 H N -0.049 119.024 119.070 0.005 0.000 2.319 157 H HA -0.189 4.367 4.556 -0.001 0.000 0.297 157 H C 2.161 177.491 175.328 0.004 0.000 1.097 157 H CA 2.435 58.487 56.048 0.005 0.000 1.285 157 H CB -0.219 29.547 29.762 0.006 0.000 1.368 157 H HN 0.617 nan 8.280 nan 0.000 0.495 158 Q N -0.486 119.324 119.800 0.017 0.000 2.181 158 Q HA -0.103 4.236 4.340 -0.001 0.000 0.205 158 Q C 1.159 177.118 176.000 -0.069 0.000 0.980 158 Q CA 1.321 57.105 55.803 -0.033 0.000 0.862 158 Q CB 0.134 28.884 28.738 0.020 0.000 0.905 158 Q HN 0.573 nan 8.270 nan 0.000 0.429 159 N N 0.070 118.741 118.700 -0.049 0.000 2.235 159 N HA 0.076 4.816 4.740 -0.001 0.000 0.209 159 N C -0.649 174.828 175.510 -0.054 0.000 1.122 159 N CA 0.113 53.138 53.050 -0.042 0.000 0.845 159 N CB 0.700 39.176 38.487 -0.018 0.000 1.004 159 N HN 0.142 nan 8.380 nan 0.000 0.499 160 K N -0.055 120.292 120.400 -0.089 0.000 3.160 160 K HA -0.109 4.211 4.320 -0.001 0.000 0.280 160 K C -0.682 175.894 176.600 -0.041 0.000 1.154 160 K CA 0.533 56.772 56.287 -0.081 0.000 0.822 160 K CB -1.992 30.468 32.500 -0.068 0.000 1.239 160 K HN 0.101 nan 8.250 nan 0.000 0.489 161 T N 1.416 115.955 114.554 -0.024 0.000 2.780 161 T HA 0.371 4.720 4.350 -0.001 0.000 0.294 161 T C 0.797 175.502 174.700 0.009 0.000 0.949 161 T CA -0.513 61.584 62.100 -0.004 0.000 1.074 161 T CB 0.750 69.621 68.868 0.005 0.000 0.910 161 T HN 0.115 nan 8.240 nan 0.000 0.501 162 I N 3.318 123.893 120.570 0.008 0.000 2.683 162 I HA 0.044 4.213 4.170 -0.001 0.000 0.286 162 I C 0.120 176.255 176.117 0.029 0.000 1.175 162 I CA -0.043 61.268 61.300 0.018 0.000 1.429 162 I CB 0.472 38.476 38.000 0.007 0.000 1.371 162 I HN 0.245 nan 8.210 nan 0.000 0.569 163 V N 7.035 126.976 119.914 0.045 0.000 2.347 163 V HA 0.510 4.630 4.120 -0.001 0.000 0.280 163 V C 0.379 176.495 176.094 0.037 0.000 1.021 163 V CA -0.506 61.821 62.300 0.045 0.000 0.847 163 V CB 1.169 33.027 31.823 0.059 0.000 0.990 163 V HN 0.825 nan 8.190 nan 0.000 0.444 164 A N 5.990 128.827 122.820 0.029 0.000 2.271 164 A HA 0.833 5.153 4.320 -0.001 0.000 0.317 164 A C -1.003 176.600 177.584 0.031 0.000 1.245 164 A CA -0.449 51.605 52.037 0.027 0.000 0.857 164 A CB 0.941 19.951 19.000 0.016 0.000 1.175 164 A HN 0.793 nan 8.150 nan 0.000 0.512 165 L N 3.019 124.263 121.223 0.034 0.000 2.349 165 L HA 0.415 4.755 4.340 -0.001 0.000 0.278 165 L C -0.279 176.614 176.870 0.039 0.000 0.996 165 L CA -0.314 54.546 54.840 0.033 0.000 0.825 165 L CB 1.494 43.568 42.059 0.026 0.000 1.243 165 L HN 0.747 nan 8.230 nan 0.000 0.412 166 N N 6.785 125.511 118.700 0.042 0.000 2.500 166 N HA 0.341 5.081 4.740 -0.001 0.000 0.236 166 N C -2.317 173.214 175.510 0.035 0.000 1.022 166 N CA -1.551 51.529 53.050 0.049 0.000 0.935 166 N CB 1.381 39.903 38.487 0.057 0.000 1.147 166 N HN 0.456 nan 8.380 nan 0.000 0.512 167 P HA 0.166 nan 4.420 nan 0.000 0.218 167 P C -1.249 176.060 177.300 0.015 0.000 1.793 167 P CA -0.056 63.055 63.100 0.018 0.000 0.941 167 P CB -0.092 31.616 31.700 0.013 0.000 1.919 168 A N 2.319 125.150 122.820 0.019 0.000 2.386 168 A HA 0.771 5.091 4.320 -0.001 0.000 0.311 168 A C -2.813 174.780 177.584 0.015 0.000 1.068 168 A CA -2.249 49.797 52.037 0.016 0.000 0.743 168 A CB 1.237 20.250 19.000 0.020 0.000 1.258 168 A HN 0.040 nan 8.150 nan 0.000 0.429 169 P HA 0.359 nan 4.420 nan 0.000 0.272 169 P C 0.038 177.339 177.300 0.003 0.000 1.240 169 P CA -0.098 63.005 63.100 0.005 0.000 0.791 169 P CB 0.549 32.249 31.700 0.001 0.000 0.978 170 A N 2.470 125.289 122.820 -0.000 0.000 2.540 170 A HA 0.353 4.673 4.320 -0.001 0.000 0.239 170 A C 0.592 178.174 177.584 -0.003 0.000 1.061 170 A CA 0.515 52.551 52.037 -0.002 0.000 0.758 170 A CB -0.623 18.375 19.000 -0.005 0.000 0.991 170 A HN 0.723 nan 8.150 nan 0.000 0.502 171 R N 1.267 121.765 120.500 -0.003 0.000 2.753 171 R HA 0.441 4.781 4.340 -0.001 0.000 0.272 171 R C -1.286 175.011 176.300 -0.005 0.000 1.034 171 R CA -0.847 55.251 56.100 -0.004 0.000 0.869 171 R CB 0.734 31.032 30.300 -0.004 0.000 1.264 171 R HN 0.571 nan 8.270 nan 0.000 0.481 172 E N 1.058 121.255 120.200 -0.006 0.000 2.373 172 E HA 0.367 4.717 4.350 -0.001 0.000 0.263 172 E C -0.692 175.904 176.600 -0.006 0.000 1.073 172 E CA -0.364 56.033 56.400 -0.006 0.000 0.894 172 E CB 1.016 30.712 29.700 -0.007 0.000 1.008 172 E HN 0.285 nan 8.360 nan 0.000 0.420 173 L N 3.502 124.721 121.223 -0.007 0.000 2.370 173 L HA 0.490 4.829 4.340 -0.001 0.000 0.266 173 L C -2.188 174.677 176.870 -0.009 0.000 1.002 173 L CA -2.354 52.482 54.840 -0.007 0.000 0.818 173 L CB 1.679 43.734 42.059 -0.006 0.000 1.325 173 L HN 0.443 nan 8.230 nan 0.000 0.418 174 P HA 0.085 nan 4.420 nan 0.000 0.271 174 P C -0.386 176.905 177.300 -0.014 0.000 1.218 174 P CA -0.242 62.851 63.100 -0.011 0.000 0.780 174 P CB 0.873 32.566 31.700 -0.012 0.000 0.901 175 D N 1.420 121.811 120.400 -0.013 0.000 2.182 175 D HA -0.153 4.486 4.640 -0.001 0.000 0.201 175 D C 1.498 177.784 176.300 -0.024 0.000 0.986 175 D CA 1.398 55.388 54.000 -0.016 0.000 0.847 175 D CB -0.091 40.702 40.800 -0.012 0.000 0.942 175 D HN 0.498 nan 8.370 nan 0.000 0.467 176 E N 0.077 120.262 120.200 -0.025 0.000 2.085 176 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 176 E C 1.909 178.482 176.600 -0.045 0.000 0.994 176 E CA 0.443 56.822 56.400 -0.035 0.000 0.801 176 E CB -0.169 29.515 29.700 -0.028 0.000 0.743 176 E HN 0.186 nan 8.360 nan 0.000 0.453 177 L N 0.145 121.348 121.223 -0.032 0.000 2.068 177 L HA -0.019 4.320 4.340 -0.001 0.000 0.204 177 L C 1.852 178.702 176.870 -0.034 0.000 1.076 177 L CA 1.443 56.264 54.840 -0.031 0.000 0.753 177 L CB -0.338 41.710 42.059 -0.018 0.000 0.910 177 L HN 0.133 nan 8.230 nan 0.000 0.439 178 L N -0.094 121.114 121.223 -0.026 0.000 2.127 178 L HA -0.188 4.151 4.340 -0.001 0.000 0.211 178 L C 2.577 179.431 176.870 -0.027 0.000 1.089 178 L CA 1.086 55.915 54.840 -0.020 0.000 0.757 178 L CB -0.918 41.133 42.059 -0.014 0.000 0.899 178 L HN 0.417 nan 8.230 nan 0.000 0.434 179 A N -0.235 122.556 122.820 -0.048 0.000 2.121 179 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 179 A C 2.064 179.567 177.584 -0.135 0.000 1.154 179 A CA 1.028 53.023 52.037 -0.071 0.000 0.679 179 A CB -0.402 18.549 19.000 -0.081 0.000 0.795 179 A HN 0.441 nan 8.150 nan 0.000 0.458 180 L N -0.420 120.715 121.223 -0.145 0.000 2.567 180 L HA 0.122 4.462 4.340 -0.001 0.000 0.225 180 L C -0.148 176.710 176.870 -0.021 0.000 1.119 180 L CA -0.252 54.479 54.840 -0.182 0.000 0.871 180 L CB 0.185 42.155 42.059 -0.149 0.000 1.036 180 L HN 0.038 nan 8.230 nan 0.000 0.459 181 V N 0.436 120.349 119.914 -0.003 0.000 2.509 181 V HA 0.084 4.204 4.120 -0.001 0.000 0.284 181 V C 0.564 176.688 176.094 0.050 0.000 1.047 181 V CA -0.215 62.102 62.300 0.028 0.000 0.952 181 V CB 1.670 33.504 31.823 0.018 0.000 0.988 181 V HN 0.155 nan 8.190 nan 0.000 0.469 182 D N 3.094 123.530 120.400 0.060 0.000 2.262 182 D HA 0.220 4.860 4.640 -0.001 0.000 0.212 182 D C 0.327 176.660 176.300 0.055 0.000 0.964 182 D CA 1.103 55.141 54.000 0.063 0.000 0.875 182 D CB 0.881 41.716 40.800 0.059 0.000 0.996 182 D HN 0.395 nan 8.370 nan 0.000 0.497 183 I N 1.356 121.953 120.570 0.045 0.000 2.447 183 I HA 0.344 4.514 4.170 -0.001 0.000 0.287 183 I C -0.772 175.371 176.117 0.043 0.000 1.023 183 I CA -0.590 60.737 61.300 0.045 0.000 1.083 183 I CB 2.994 41.015 38.000 0.035 0.000 1.245 183 I HN -0.215 nan 8.210 nan 0.000 0.434 184 I N 5.342 125.938 120.570 0.043 0.000 2.509 184 I HA 0.422 4.591 4.170 -0.001 0.000 0.293 184 I C -0.153 175.997 176.117 0.055 0.000 1.020 184 I CA -0.161 61.162 61.300 0.038 0.000 1.088 184 I CB 2.014 40.025 38.000 0.017 0.000 1.267 184 I HN 0.667 nan 8.210 nan 0.000 0.430 185 T N 4.306 118.901 114.554 0.067 0.000 3.466 185 T HA 0.484 4.834 4.350 -0.001 0.000 0.297 185 T C -2.674 172.061 174.700 0.058 0.000 1.640 185 T CA -1.705 60.450 62.100 0.092 0.000 1.631 185 T CB 0.245 69.213 68.868 0.166 0.000 0.928 185 T HN 0.257 nan 8.240 nan 0.000 0.688 186 P HA 0.225 nan 4.420 nan 0.000 0.274 186 P C -0.212 177.090 177.300 0.004 0.000 1.231 186 P CA -0.307 62.803 63.100 0.017 0.000 0.790 186 P CB 0.875 32.580 31.700 0.009 0.000 0.951 187 N N 0.557 119.254 118.700 -0.005 0.000 2.418 187 N HA 0.070 4.810 4.740 -0.001 0.000 0.283 187 N C 0.869 176.372 175.510 -0.012 0.000 1.267 187 N CA -0.302 52.738 53.050 -0.017 0.000 0.975 187 N CB -0.194 38.282 38.487 -0.019 0.000 1.167 187 N HN 0.351 nan 8.380 nan 0.000 0.581 188 E N -0.967 119.224 120.200 -0.015 0.000 2.072 188 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 188 E C 1.280 177.870 176.600 -0.016 0.000 0.985 188 E CA 1.739 58.129 56.400 -0.017 0.000 0.801 188 E CB -0.294 29.394 29.700 -0.019 0.000 0.750 188 E HN 0.657 nan 8.360 nan 0.000 0.452 189 T N 1.222 115.769 114.554 -0.013 0.000 2.746 189 T HA -0.167 4.183 4.350 -0.001 0.000 0.267 189 T C 1.624 176.317 174.700 -0.011 0.000 1.039 189 T CA 1.445 63.538 62.100 -0.011 0.000 1.142 189 T CB -0.207 68.656 68.868 -0.009 0.000 0.866 189 T HN 0.228 nan 8.240 nan 0.000 0.444 190 E N 1.172 121.367 120.200 -0.008 0.000 2.106 190 E HA 0.003 4.353 4.350 -0.001 0.000 0.192 190 E C 2.552 179.147 176.600 -0.009 0.000 0.984 190 E CA 0.903 57.300 56.400 -0.006 0.000 0.806 190 E CB -0.246 29.454 29.700 -0.001 0.000 0.750 190 E HN 0.470 nan 8.360 nan 0.000 0.458 191 A N 1.417 124.231 122.820 -0.011 0.000 1.902 191 A HA -0.282 4.037 4.320 -0.001 0.000 0.217 191 A C 2.101 179.673 177.584 -0.020 0.000 1.181 191 A CA 1.776 53.803 52.037 -0.016 0.000 0.623 191 A CB -0.465 18.523 19.000 -0.019 0.000 0.818 191 A HN 0.283 nan 8.150 nan 0.000 0.443 192 E N -0.453 119.734 120.200 -0.020 0.000 2.072 192 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 192 E C 2.011 178.601 176.600 -0.016 0.000 0.985 192 E CA 1.523 57.910 56.400 -0.021 0.000 0.801 192 E CB -0.079 29.609 29.700 -0.020 0.000 0.750 192 E HN 0.365 nan 8.360 nan 0.000 0.452 193 K N 0.632 121.024 120.400 -0.013 0.000 2.147 193 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 193 K C 1.915 178.508 176.600 -0.011 0.000 1.049 193 K CA 1.195 57.476 56.287 -0.011 0.000 0.936 193 K CB -0.251 32.243 32.500 -0.009 0.000 0.722 193 K HN 0.225 nan 8.250 nan 0.000 0.446 194 L N -0.347 120.869 121.223 -0.012 0.000 2.270 194 L HA -0.015 4.325 4.340 -0.001 0.000 0.210 194 L C 1.932 178.794 176.870 -0.014 0.000 1.104 194 L CA 1.484 56.317 54.840 -0.012 0.000 0.804 194 L CB -0.236 41.815 42.059 -0.013 0.000 0.937 194 L HN 0.392 nan 8.230 nan 0.000 0.450 195 T N -5.936 108.608 114.554 -0.017 0.000 2.964 195 T HA 0.279 4.629 4.350 -0.001 0.000 0.249 195 T C 1.436 176.127 174.700 -0.016 0.000 1.000 195 T CA 0.558 62.648 62.100 -0.017 0.000 0.992 195 T CB 1.015 69.869 68.868 -0.023 0.000 1.087 195 T HN 0.287 nan 8.240 nan 0.000 0.489 196 G N 1.628 110.418 108.800 -0.017 0.000 2.175 196 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.244 196 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.244 196 G C -0.062 174.826 174.900 -0.020 0.000 0.982 196 G CA 0.060 45.150 45.100 -0.016 0.000 0.641 196 G HN 0.660 nan 8.290 nan 0.000 0.527 197 I N 1.306 121.860 120.570 -0.026 0.000 2.330 197 I HA 0.355 4.525 4.170 -0.001 0.000 0.289 197 I C 0.901 176.996 176.117 -0.037 0.000 1.001 197 I CA -0.896 60.384 61.300 -0.033 0.000 1.193 197 I CB 1.305 39.280 38.000 -0.041 0.000 1.345 197 I HN 0.165 nan 8.210 nan 0.000 0.461 198 R N 5.508 125.987 120.500 -0.036 0.000 2.537 198 R HA 0.302 4.642 4.340 -0.001 0.000 0.280 198 R C -1.145 175.125 176.300 -0.050 0.000 1.058 198 R CA -0.111 55.967 56.100 -0.036 0.000 1.057 198 R CB 0.689 30.971 30.300 -0.030 0.000 0.973 198 R HN 0.452 nan 8.270 nan 0.000 0.438 199 V N 5.424 125.308 119.914 -0.051 0.000 2.313 199 V HA 0.192 4.311 4.120 -0.001 0.000 0.278 199 V C -0.005 176.054 176.094 -0.058 0.000 1.017 199 V CA -0.283 61.976 62.300 -0.068 0.000 0.823 199 V CB 1.336 33.117 31.823 -0.070 0.000 1.010 199 V HN 0.883 nan 8.190 nan 0.000 0.443 200 E N 3.124 123.285 120.200 -0.065 0.000 2.572 200 E HA 0.185 4.534 4.350 -0.001 0.000 0.220 200 E C 0.004 176.569 176.600 -0.058 0.000 0.945 200 E CA 0.126 56.496 56.400 -0.050 0.000 1.070 200 E CB 0.954 30.631 29.700 -0.039 0.000 1.090 200 E HN 0.937 nan 8.360 nan 0.000 0.506 201 N N -1.300 117.346 118.700 -0.091 0.000 3.243 201 N HA 0.146 4.885 4.740 -0.001 0.000 0.280 201 N C -0.040 175.356 175.510 -0.191 0.000 1.545 201 N CA -0.486 52.502 53.050 -0.103 0.000 0.854 201 N CB 0.259 38.694 38.487 -0.088 0.000 1.612 201 N HN -0.424 nan 8.380 nan 0.000 0.577 202 D N -0.547 119.724 120.400 -0.215 0.000 2.264 202 D HA -0.125 4.515 4.640 -0.001 0.000 0.208 202 D C 1.032 176.930 176.300 -0.671 0.000 0.966 202 D CA 0.956 54.672 54.000 -0.474 0.000 0.864 202 D CB 0.081 40.747 40.800 -0.223 0.000 0.933 202 D HN 0.749 nan 8.370 nan 0.000 0.499 203 E N 0.767 120.753 120.200 -0.357 0.000 2.046 203 E HA -0.152 4.198 4.350 -0.001 0.000 0.190 203 E C 1.053 177.485 176.600 -0.279 0.000 0.982 203 E CA 0.864 57.096 56.400 -0.280 0.000 0.800 203 E CB 0.247 29.857 29.700 -0.150 0.000 0.756 203 E HN 0.061 nan 8.360 nan 0.000 0.449 204 D N 0.660 120.918 120.400 -0.236 0.000 2.144 204 D HA -0.135 4.505 4.640 -0.001 0.000 0.199 204 D C 1.862 178.008 176.300 -0.256 0.000 0.984 204 D CA 1.231 55.116 54.000 -0.192 0.000 0.834 204 D CB -0.299 40.420 40.800 -0.135 0.000 0.955 204 D HN 0.288 nan 8.370 nan 0.000 0.465 205 A N 1.323 123.906 122.820 -0.395 0.000 1.908 205 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 205 A C 2.352 179.593 177.584 -0.573 0.000 1.181 205 A CA 2.287 54.033 52.037 -0.484 0.000 0.627 205 A CB -0.678 17.932 19.000 -0.650 0.000 0.818 205 A HN 0.250 nan 8.150 nan 0.000 0.445 206 A N -0.603 121.762 122.820 -0.758 0.000 1.930 206 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 206 A C 2.115 179.643 177.584 -0.093 0.000 1.175 206 A CA 1.898 53.752 52.037 -0.305 0.000 0.627 206 A CB -0.414 18.474 19.000 -0.188 0.000 0.815 206 A HN 0.544 nan 8.150 nan 0.000 0.443 207 K N -0.368 119.954 120.400 -0.130 0.000 2.009 207 K HA -0.118 4.202 4.320 -0.001 0.000 0.210 207 K C 2.233 178.807 176.600 -0.043 0.000 1.049 207 K CA 1.276 57.526 56.287 -0.062 0.000 0.929 207 K CB -0.318 32.137 32.500 -0.074 0.000 0.714 207 K HN 0.390 nan 8.250 nan 0.000 0.440 208 A N 0.907 123.685 122.820 -0.070 0.000 1.902 208 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 208 A C 2.288 179.845 177.584 -0.044 0.000 1.181 208 A CA 1.879 53.885 52.037 -0.052 0.000 0.623 208 A CB -0.789 18.174 19.000 -0.062 0.000 0.818 208 A HN 0.467 nan 8.150 nan 0.000 0.443 209 A N -0.833 121.970 122.820 -0.030 0.000 1.908 209 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 209 A C 2.152 179.675 177.584 -0.103 0.000 1.181 209 A CA 2.253 54.257 52.037 -0.054 0.000 0.627 209 A CB -0.525 18.564 19.000 0.148 0.000 0.818 209 A HN 0.549 nan 8.150 nan 0.000 0.445 210 Q N -0.065 119.780 119.800 0.075 0.000 2.119 210 Q HA -0.090 4.250 4.340 -0.001 0.000 0.201 210 Q C 1.839 177.887 176.000 0.080 0.000 0.972 210 Q CA 2.041 57.940 55.803 0.160 0.000 0.847 210 Q CB -0.642 28.172 28.738 0.128 0.000 0.903 210 Q HN 0.354 nan 8.270 nan 0.000 0.433 211 V N 0.456 120.382 119.914 0.020 0.000 2.287 211 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 211 V C 2.314 178.406 176.094 -0.004 0.000 1.053 211 V CA 1.872 64.177 62.300 0.009 0.000 1.027 211 V CB -0.640 31.179 31.823 -0.007 0.000 0.646 211 V HN 0.376 nan 8.190 nan 0.000 0.447 212 L N -0.977 120.212 121.223 -0.056 0.000 2.083 212 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 212 L C 2.669 179.500 176.870 -0.064 0.000 1.083 212 L CA 1.388 56.178 54.840 -0.082 0.000 0.752 212 L CB -0.870 41.112 42.059 -0.129 0.000 0.899 212 L HN 0.418 nan 8.230 nan 0.000 0.433 213 H N 0.221 119.315 119.070 0.040 0.000 2.387 213 H HA -0.125 4.430 4.556 -0.001 0.000 0.299 213 H C 2.021 177.365 175.328 0.027 0.000 1.090 213 H CA 1.190 57.260 56.048 0.037 0.000 1.332 213 H CB -0.051 29.737 29.762 0.044 0.000 1.386 213 H HN 0.462 nan 8.280 nan 0.000 0.516 214 E N 0.586 120.871 120.200 0.141 0.000 2.333 214 E HA -0.105 4.245 4.350 -0.001 0.000 0.198 214 E C 1.514 178.144 176.600 0.050 0.000 1.007 214 E CA 0.400 56.848 56.400 0.080 0.000 0.845 214 E CB 0.224 29.959 29.700 0.060 0.000 0.766 214 E HN 0.260 nan 8.360 nan 0.000 0.507 215 K N -0.737 119.687 120.400 0.040 0.000 2.404 215 K HA 0.079 4.398 4.320 -0.001 0.000 0.194 215 K C 1.157 177.771 176.600 0.023 0.000 1.023 215 K CA 0.714 57.013 56.287 0.020 0.000 1.094 215 K CB 1.325 33.828 32.500 0.005 0.000 0.841 215 K HN 0.255 nan 8.250 nan 0.000 0.523 216 G N 1.430 110.259 108.800 0.048 0.000 2.192 216 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.193 216 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.193 216 G C 0.059 175.001 174.900 0.070 0.000 0.999 216 G CA -0.506 44.624 45.100 0.049 0.000 0.659 216 G HN 0.203 nan 8.290 nan 0.000 0.503 217 I N 1.565 122.184 120.570 0.082 0.000 2.301 217 I HA 0.323 4.493 4.170 -0.001 0.000 0.292 217 I C 1.613 177.853 176.117 0.205 0.000 1.046 217 I CA -0.656 60.700 61.300 0.092 0.000 1.282 217 I CB 1.302 39.322 38.000 0.034 0.000 1.409 217 I HN 0.171 nan 8.210 nan 0.000 0.484 218 R N 3.572 124.176 120.500 0.173 0.000 2.066 218 R HA -0.030 4.309 4.340 -0.001 0.000 0.232 218 R C 0.229 176.678 176.300 0.247 0.000 1.131 218 R CA 1.165 57.379 56.100 0.191 0.000 0.955 218 R CB 0.224 30.580 30.300 0.093 0.000 0.851 218 R HN 0.564 nan 8.270 nan 0.000 0.432 219 T N 1.383 116.033 114.554 0.160 0.000 2.756 219 T HA 0.390 4.739 4.350 -0.001 0.000 0.290 219 T C -1.088 173.673 174.700 0.102 0.000 0.985 219 T CA -0.534 61.652 62.100 0.142 0.000 0.955 219 T CB 1.952 70.866 68.868 0.076 0.000 0.930 219 T HN -0.123 nan 8.240 nan 0.000 0.451 220 V N 5.825 125.799 119.914 0.100 0.000 2.409 220 V HA 0.460 4.579 4.120 -0.001 0.000 0.291 220 V C -0.345 175.795 176.094 0.077 0.000 1.020 220 V CA -0.807 61.504 62.300 0.018 0.000 0.848 220 V CB 1.285 33.019 31.823 -0.149 0.000 0.990 220 V HN 0.745 nan 8.190 nan 0.000 0.430 221 L N 6.511 127.784 121.223 0.084 0.000 2.318 221 L HA 0.594 4.933 4.340 -0.001 0.000 0.277 221 L C -0.612 176.318 176.870 0.100 0.000 1.008 221 L CA -0.306 54.600 54.840 0.109 0.000 0.846 221 L CB 1.524 43.675 42.059 0.152 0.000 1.220 221 L HN 0.487 nan 8.230 nan 0.000 0.423 222 I N 2.876 123.527 120.570 0.134 0.000 2.297 222 I HA 0.161 4.331 4.170 -0.001 0.000 0.291 222 I C 0.872 177.024 176.117 0.059 0.000 1.033 222 I CA -0.292 61.065 61.300 0.095 0.000 1.253 222 I CB 1.642 39.712 38.000 0.117 0.000 1.396 222 I HN 0.580 nan 8.210 nan 0.000 0.476 223 T N 4.755 119.293 114.554 -0.028 0.000 2.907 223 T HA 0.429 4.779 4.350 -0.001 0.000 0.298 223 T C 0.256 174.930 174.700 -0.043 0.000 1.017 223 T CA -0.472 61.567 62.100 -0.102 0.000 1.118 223 T CB 0.988 69.712 68.868 -0.241 0.000 0.948 223 T HN 0.490 nan 8.240 nan 0.000 0.531 224 L N 2.679 123.883 121.223 -0.033 0.000 3.218 224 L HA 0.441 4.781 4.340 -0.001 0.000 0.279 224 L C 1.639 178.492 176.870 -0.029 0.000 1.287 224 L CA -0.476 54.357 54.840 -0.012 0.000 1.024 224 L CB -0.711 41.363 42.059 0.024 0.000 1.409 224 L HN 1.202 nan 8.230 nan 0.000 0.580 225 G N 1.733 110.505 108.800 -0.046 0.000 2.596 225 G HA2 -0.440 3.520 3.960 -0.001 0.000 0.304 225 G HA3 -0.440 3.520 3.960 -0.001 0.000 0.304 225 G C 0.995 175.865 174.900 -0.051 0.000 1.189 225 G CA 0.754 45.831 45.100 -0.039 0.000 0.986 225 G HN 0.500 nan 8.290 nan 0.000 0.548 226 S N 0.245 115.923 115.700 -0.037 0.000 2.522 226 S HA 0.112 4.582 4.470 -0.001 0.000 0.227 226 S C 1.880 176.442 174.600 -0.062 0.000 0.986 226 S CA 1.350 59.524 58.200 -0.044 0.000 0.929 226 S CB 0.051 63.239 63.200 -0.019 0.000 0.769 226 S HN 0.654 nan 8.310 nan 0.000 0.529 227 R N 1.112 121.583 120.500 -0.049 0.000 2.310 227 R HA 0.308 4.648 4.340 -0.001 0.000 0.202 227 R C 1.522 177.792 176.300 -0.050 0.000 0.933 227 R CA 0.399 56.477 56.100 -0.037 0.000 1.054 227 R CB -0.244 30.054 30.300 -0.004 0.000 0.985 227 R HN 0.599 nan 8.270 nan 0.000 0.489 228 G N 0.489 109.225 108.800 -0.107 0.000 2.520 228 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.248 228 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.248 228 G C -0.840 174.103 174.900 0.071 0.000 1.161 228 G CA -0.267 44.765 45.100 -0.113 0.000 0.946 228 G HN 0.203 nan 8.290 nan 0.000 0.565 229 V N 0.902 120.918 119.914 0.171 0.000 2.888 229 V HA 0.655 4.774 4.120 -0.001 0.000 0.309 229 V C -1.160 175.039 176.094 0.175 0.000 1.114 229 V CA -0.504 61.873 62.300 0.129 0.000 0.940 229 V CB 1.908 33.768 31.823 0.062 0.000 1.021 229 V HN 1.219 nan 8.190 nan 0.000 0.426 230 W N 7.300 128.610 121.300 0.018 0.000 2.387 230 W HA 0.687 5.346 4.660 -0.001 0.000 0.310 230 W C -0.257 176.286 176.519 0.040 0.000 1.181 230 W CA -0.318 57.043 57.345 0.026 0.000 1.333 230 W CB 1.170 30.639 29.460 0.014 0.000 1.286 230 W HN 0.832 nan 8.180 nan 0.000 0.455 231 A N 4.673 127.235 122.820 -0.431 0.000 2.260 231 A HA 0.487 4.807 4.320 -0.001 0.000 0.308 231 A C -0.696 176.655 177.584 -0.388 0.000 1.254 231 A CA -0.333 51.539 52.037 -0.275 0.000 0.874 231 A CB 1.268 20.161 19.000 -0.178 0.000 1.153 231 A HN 0.448 nan 8.150 nan 0.000 0.527 232 S N 2.046 117.691 115.700 -0.092 0.000 2.647 232 S HA 0.569 5.039 4.470 -0.001 0.000 0.300 232 S C -1.174 173.542 174.600 0.194 0.000 1.129 232 S CA -0.398 57.847 58.200 0.075 0.000 1.029 232 S CB 0.907 64.317 63.200 0.350 0.000 1.007 232 S HN 0.773 nan 8.310 nan 0.000 0.484 233 V N 7.125 127.079 119.914 0.067 0.000 2.350 233 V HA 0.433 4.552 4.120 -0.001 0.000 0.285 233 V C 0.289 176.303 176.094 -0.135 0.000 1.014 233 V CA -0.881 61.438 62.300 0.031 0.000 0.831 233 V CB 1.016 32.837 31.823 -0.003 0.000 1.000 233 V HN 1.078 nan 8.190 nan 0.000 0.433 234 N N 3.721 122.224 118.700 -0.328 0.000 2.698 234 N HA -0.290 4.450 4.740 -0.001 0.000 0.258 234 N C 0.897 176.095 175.510 -0.521 0.000 0.978 234 N CA 0.826 53.555 53.050 -0.534 0.000 0.777 234 N CB -1.159 37.207 38.487 -0.201 0.000 0.907 234 N HN 1.453 nan 8.380 nan 0.000 0.543 235 G N -0.152 108.206 108.800 -0.736 0.000 2.399 235 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.216 235 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.216 235 G C -0.187 174.712 174.900 -0.002 0.000 1.096 235 G CA 0.432 45.409 45.100 -0.205 0.000 0.650 235 G HN 0.765 nan 8.290 nan 0.000 0.512 236 E N 1.297 121.477 120.200 -0.033 0.000 2.180 236 E HA 0.532 4.881 4.350 -0.001 0.000 0.283 236 E C 0.542 177.133 176.600 -0.015 0.000 1.061 236 E CA 0.367 56.769 56.400 0.003 0.000 0.861 236 E CB 0.352 30.035 29.700 -0.028 0.000 1.056 236 E HN 0.685 nan 8.360 nan 0.000 0.407 237 G N 3.638 112.437 108.800 -0.002 0.000 2.533 237 G HA2 0.488 4.448 3.960 -0.001 0.000 0.304 237 G HA3 0.488 4.448 3.960 -0.001 0.000 0.304 237 G C -1.449 173.044 174.900 -0.679 0.000 1.263 237 G CA -0.607 44.300 45.100 -0.322 0.000 0.964 237 G HN 0.548 nan 8.290 nan 0.000 0.479 238 Q N 0.055 119.141 119.800 -1.189 0.000 2.435 238 Q HA 0.427 4.766 4.340 -0.001 0.000 0.282 238 Q C -1.485 173.973 176.000 -0.902 0.000 1.020 238 Q CA -1.042 54.215 55.803 -0.910 0.000 0.820 238 Q CB 2.274 30.790 28.738 -0.371 0.000 1.436 238 Q HN 0.607 nan 8.270 nan 0.000 0.395 239 R N 1.077 121.358 120.500 -0.365 0.000 2.297 239 R HA 0.537 4.876 4.340 -0.001 0.000 0.308 239 R C -1.125 175.161 176.300 -0.023 0.000 1.029 239 R CA -0.343 55.746 56.100 -0.020 0.000 0.929 239 R CB 1.125 31.563 30.300 0.230 0.000 1.046 239 R HN 0.497 nan 8.270 nan 0.000 0.461 240 V N 7.704 127.636 119.914 0.029 0.000 2.313 240 V HA 0.327 4.446 4.120 -0.001 0.000 0.278 240 V C -1.933 174.241 176.094 0.133 0.000 1.017 240 V CA -1.940 60.405 62.300 0.074 0.000 0.823 240 V CB 1.101 32.979 31.823 0.092 0.000 1.010 240 V HN 0.843 nan 8.190 nan 0.000 0.443 241 P HA 0.171 nan 4.420 nan 0.000 0.269 241 P C 0.360 177.427 177.300 -0.387 0.000 1.215 241 P CA 0.407 63.430 63.100 -0.129 0.000 0.780 241 P CB 1.194 32.825 31.700 -0.115 0.000 0.898 242 G N 0.767 109.203 108.800 -0.608 0.000 2.531 242 G HA2 0.500 4.459 3.960 -0.001 0.000 0.281 242 G HA3 0.500 4.459 3.960 -0.001 0.000 0.281 242 G C -0.978 173.599 174.900 -0.538 0.000 1.382 242 G CA -0.681 43.860 45.100 -0.932 0.000 1.045 242 G HN 0.322 nan 8.290 nan 0.000 0.533 243 F N -0.277 119.632 119.950 -0.070 0.000 2.399 243 F HA 0.447 4.973 4.527 -0.001 0.000 0.334 243 F C 1.136 176.968 175.800 0.053 0.000 1.097 243 F CA -0.541 57.507 58.000 0.079 0.000 1.076 243 F CB 1.439 40.616 39.000 0.294 0.000 1.162 243 F HN 0.039 nan 8.300 nan 0.000 0.495 244 R N 2.641 123.283 120.500 0.236 0.000 2.242 244 R HA 0.474 4.814 4.340 -0.001 0.000 0.334 244 R C -0.782 175.615 176.300 0.161 0.000 1.071 244 R CA -0.346 55.837 56.100 0.138 0.000 0.922 244 R CB 0.438 30.792 30.300 0.090 0.000 1.023 244 R HN 0.562 nan 8.270 nan 0.000 0.458 245 V N -0.612 119.380 119.914 0.129 0.000 3.141 245 V HA 0.365 4.485 4.120 -0.001 0.000 0.312 245 V C -0.647 175.489 176.094 0.069 0.000 1.157 245 V CA -1.269 61.102 62.300 0.118 0.000 1.041 245 V CB 2.280 34.183 31.823 0.133 0.000 1.071 245 V HN 0.410 nan 8.190 nan 0.000 0.441 246 Q N 1.795 121.629 119.800 0.057 0.000 2.406 246 Q HA 0.592 4.931 4.340 -0.001 0.000 0.242 246 Q C 0.080 176.097 176.000 0.029 0.000 1.036 246 Q CA 0.060 55.885 55.803 0.037 0.000 0.904 246 Q CB 0.541 29.297 28.738 0.029 0.000 1.244 246 Q HN 1.170 nan 8.270 nan 0.000 0.478 247 A N 3.095 125.930 122.820 0.026 0.000 2.450 247 A HA 0.328 4.648 4.320 -0.001 0.000 0.255 247 A C 0.990 178.582 177.584 0.015 0.000 1.096 247 A CA 0.186 52.235 52.037 0.020 0.000 0.778 247 A CB 0.333 19.345 19.000 0.020 0.000 1.031 247 A HN 0.695 nan 8.150 nan 0.000 0.494 248 V N -1.417 118.504 119.914 0.012 0.000 3.473 248 V HA 0.361 4.481 4.120 -0.001 0.000 0.253 248 V C 0.040 176.141 176.094 0.011 0.000 1.340 248 V CA 0.838 63.142 62.300 0.007 0.000 1.103 248 V CB 0.428 32.251 31.823 0.000 0.000 0.881 248 V HN 0.700 nan 8.190 nan 0.000 0.451 249 D N 1.138 121.547 120.400 0.017 0.000 2.452 249 D HA 0.246 4.886 4.640 -0.001 0.000 0.226 249 D C 0.782 177.100 176.300 0.030 0.000 1.366 249 D CA 0.676 54.693 54.000 0.028 0.000 0.986 249 D CB 1.768 42.583 40.800 0.025 0.000 1.420 249 D HN 0.336 nan 8.370 nan 0.000 0.583 250 T N 1.063 115.641 114.554 0.040 0.000 3.160 250 T HA 0.130 4.479 4.350 -0.001 0.000 0.257 250 T C 1.465 176.187 174.700 0.036 0.000 1.147 250 T CA -0.181 61.940 62.100 0.035 0.000 1.064 250 T CB -0.093 68.799 68.868 0.039 0.000 0.949 250 T HN 0.443 nan 8.240 nan 0.000 0.526 251 I N 1.302 121.897 120.570 0.042 0.000 2.752 251 I HA 0.289 4.459 4.170 -0.001 0.000 0.287 251 I C 1.143 177.274 176.117 0.024 0.000 1.188 251 I CA 0.782 62.105 61.300 0.038 0.000 1.427 251 I CB 0.256 38.284 38.000 0.046 0.000 1.365 251 I HN 0.504 nan 8.210 nan 0.000 0.585 252 A N 4.196 127.030 122.820 0.022 0.000 2.952 252 A HA -0.263 4.057 4.320 -0.001 0.000 0.252 252 A C 1.561 179.156 177.584 0.020 0.000 1.323 252 A CA 1.139 53.184 52.037 0.014 0.000 0.957 252 A CB -2.272 16.728 19.000 0.000 0.000 1.130 252 A HN 1.228 nan 8.150 nan 0.000 0.799 253 A N -0.515 122.322 122.820 0.027 0.000 1.873 253 A HA 0.270 4.590 4.320 -0.001 0.000 0.215 253 A C 2.652 180.282 177.584 0.077 0.000 1.186 253 A CA 2.045 54.105 52.037 0.040 0.000 0.616 253 A CB -1.267 17.750 19.000 0.028 0.000 0.823 253 A HN 1.929 nan 8.150 nan 0.000 0.442 254 G N -0.113 108.722 108.800 0.059 0.000 2.418 254 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.217 254 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.217 254 G C 1.134 176.109 174.900 0.126 0.000 1.158 254 G CA 1.237 46.389 45.100 0.087 0.000 0.771 254 G HN 0.459 nan 8.290 nan 0.000 0.545 255 D N 0.279 120.719 120.400 0.067 0.000 2.117 255 D HA -0.081 4.558 4.640 -0.001 0.000 0.197 255 D C 2.682 178.998 176.300 0.027 0.000 0.987 255 D CA 1.499 55.521 54.000 0.038 0.000 0.829 255 D CB -0.571 40.230 40.800 0.001 0.000 0.961 255 D HN 0.231 nan 8.370 nan 0.000 0.460 256 T N 0.642 115.215 114.554 0.031 0.000 2.737 256 T HA -0.134 4.216 4.350 -0.001 0.000 0.265 256 T C 1.704 176.428 174.700 0.039 0.000 1.038 256 T CA 0.597 62.695 62.100 -0.002 0.000 1.144 256 T CB -0.478 68.379 68.868 -0.018 0.000 0.866 256 T HN 0.118 nan 8.240 nan 0.000 0.434 257 F N 2.664 122.600 119.950 -0.023 0.000 2.065 257 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 257 F C 1.924 177.722 175.800 -0.004 0.000 1.112 257 F CA 1.607 59.606 58.000 -0.002 0.000 1.212 257 F CB -0.581 38.434 39.000 0.026 0.000 0.975 257 F HN 0.111 nan 8.300 nan 0.000 0.476 258 N N 0.026 118.792 118.700 0.110 0.000 2.058 258 N HA -0.100 4.640 4.740 -0.001 0.000 0.191 258 N C 2.124 177.579 175.510 -0.093 0.000 1.037 258 N CA 1.597 54.638 53.050 -0.014 0.000 0.848 258 N CB -1.003 37.529 38.487 0.075 0.000 1.021 258 N HN 0.439 nan 8.380 nan 0.000 0.422 259 G N 0.142 108.900 108.800 -0.071 0.000 2.421 259 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 259 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 259 G C 1.526 176.383 174.900 -0.071 0.000 1.171 259 G CA 0.989 46.039 45.100 -0.083 0.000 0.775 259 G HN 0.425 nan 8.290 nan 0.000 0.543 260 A N 0.240 123.016 122.820 -0.074 0.000 1.929 260 A HA 0.166 4.486 4.320 -0.001 0.000 0.216 260 A C 2.330 179.947 177.584 0.055 0.000 1.176 260 A CA 1.507 53.573 52.037 0.047 0.000 0.628 260 A CB -0.386 18.588 19.000 -0.043 0.000 0.816 260 A HN 0.439 nan 8.150 nan 0.000 0.444 261 L N 0.112 121.219 121.223 -0.194 0.000 1.990 261 L HA -0.197 4.143 4.340 -0.001 0.000 0.213 261 L C 2.037 178.814 176.870 -0.154 0.000 1.072 261 L CA 2.014 56.683 54.840 -0.285 0.000 0.755 261 L CB -0.344 41.383 42.059 -0.554 0.000 0.889 261 L HN 0.348 nan 8.230 nan 0.000 0.432 262 I N -0.847 119.651 120.570 -0.121 0.000 2.394 262 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 262 I C 2.366 178.434 176.117 -0.082 0.000 1.136 262 I CA 1.382 62.630 61.300 -0.086 0.000 1.425 262 I CB -2.039 35.923 38.000 -0.063 0.000 1.079 262 I HN 0.313 nan 8.210 nan 0.000 0.425 263 T N 1.515 116.029 114.554 -0.067 0.000 2.746 263 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 263 T C 2.086 176.674 174.700 -0.188 0.000 1.039 263 T CA 1.670 63.722 62.100 -0.080 0.000 1.142 263 T CB -0.206 68.662 68.868 0.000 0.000 0.866 263 T HN 0.455 nan 8.240 nan 0.000 0.444 264 A N 1.091 123.755 122.820 -0.260 0.000 1.898 264 A HA 0.085 4.404 4.320 -0.001 0.000 0.216 264 A C 2.297 179.745 177.584 -0.226 0.000 1.181 264 A CA 1.008 52.799 52.037 -0.410 0.000 0.620 264 A CB -0.793 17.939 19.000 -0.446 0.000 0.819 264 A HN 0.463 nan 8.150 nan 0.000 0.442 265 L N -0.524 120.608 121.223 -0.153 0.000 2.042 265 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 265 L C 2.305 179.119 176.870 -0.094 0.000 1.076 265 L CA 1.057 55.833 54.840 -0.107 0.000 0.749 265 L CB -0.524 41.486 42.059 -0.081 0.000 0.893 265 L HN 0.356 nan 8.230 nan 0.000 0.432 266 L N -0.712 120.456 121.223 -0.092 0.000 2.465 266 L HA -0.109 4.231 4.340 -0.001 0.000 0.224 266 L C 1.746 178.567 176.870 -0.082 0.000 1.145 266 L CA 0.652 55.448 54.840 -0.074 0.000 0.834 266 L CB -0.320 41.703 42.059 -0.060 0.000 0.944 266 L HN 0.281 nan 8.230 nan 0.000 0.451 267 E N -0.051 120.079 120.200 -0.116 0.000 2.445 267 E HA -0.052 4.297 4.350 -0.001 0.000 0.189 267 E C -0.124 176.417 176.600 -0.098 0.000 1.069 267 E CA -0.157 56.175 56.400 -0.114 0.000 0.871 267 E CB 0.323 29.923 29.700 -0.167 0.000 0.991 267 E HN 0.206 nan 8.360 nan 0.000 0.481 268 E N -0.155 119.993 120.200 -0.086 0.000 2.868 268 E HA -0.197 4.152 4.350 -0.001 0.000 0.278 268 E C -0.623 175.933 176.600 -0.074 0.000 1.009 268 E CA 0.807 57.166 56.400 -0.069 0.000 0.856 268 E CB -1.836 27.832 29.700 -0.053 0.000 1.428 268 E HN 0.302 nan 8.360 nan 0.000 0.423 269 K N 1.544 121.884 120.400 -0.100 0.000 2.298 269 K HA 0.229 4.549 4.320 -0.001 0.000 0.280 269 K C -1.931 174.627 176.600 -0.069 0.000 1.032 269 K CA -1.293 54.939 56.287 -0.091 0.000 0.958 269 K CB 0.629 33.050 32.500 -0.132 0.000 0.978 269 K HN -0.072 nan 8.250 nan 0.000 0.472 270 P HA -0.076 nan 4.420 nan 0.000 0.271 270 P C 0.568 177.843 177.300 -0.040 0.000 1.233 270 P CA -0.382 62.695 63.100 -0.039 0.000 0.789 270 P CB 0.569 32.252 31.700 -0.028 0.000 0.951 271 L N 2.881 124.081 121.223 -0.037 0.000 1.990 271 L HA -0.109 4.230 4.340 -0.001 0.000 0.213 271 L C -0.773 176.077 176.870 -0.034 0.000 1.072 271 L CA 2.658 57.475 54.840 -0.038 0.000 0.755 271 L CB -2.378 39.662 42.059 -0.033 0.000 0.889 271 L HN 0.349 nan 8.230 nan 0.000 0.432 272 P HA -0.232 nan 4.420 nan 0.000 0.216 272 P C 1.409 178.714 177.300 0.009 0.000 1.150 272 P CA 1.748 64.838 63.100 -0.015 0.000 0.837 272 P CB -0.004 31.686 31.700 -0.016 0.000 0.786 273 E N -0.134 120.072 120.200 0.011 0.000 2.107 273 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 273 E C 2.131 178.759 176.600 0.045 0.000 0.982 273 E CA 0.866 57.289 56.400 0.039 0.000 0.809 273 E CB -0.391 29.319 29.700 0.016 0.000 0.756 273 E HN 0.064 nan 8.360 nan 0.000 0.459 274 A N 1.042 123.853 122.820 -0.015 0.000 1.902 274 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 274 A C 2.112 179.683 177.584 -0.022 0.000 1.181 274 A CA 1.157 53.171 52.037 -0.039 0.000 0.623 274 A CB -0.590 18.354 19.000 -0.094 0.000 0.818 274 A HN 0.300 nan 8.150 nan 0.000 0.443 275 I N -1.078 119.457 120.570 -0.058 0.000 2.226 275 I HA -0.268 3.902 4.170 -0.001 0.000 0.245 275 I C 2.712 178.786 176.117 -0.072 0.000 1.100 275 I CA 1.783 63.011 61.300 -0.121 0.000 1.374 275 I CB -0.308 37.641 38.000 -0.085 0.000 1.057 275 I HN 0.363 nan 8.210 nan 0.000 0.413 276 R N 0.608 121.160 120.500 0.085 0.000 2.081 276 R HA -0.229 4.111 4.340 -0.001 0.000 0.235 276 R C 2.415 178.945 176.300 0.383 0.000 1.131 276 R CA 1.699 57.956 56.100 0.262 0.000 0.960 276 R CB -0.406 30.043 30.300 0.249 0.000 0.856 276 R HN 0.237 nan 8.270 nan 0.000 0.436 277 F N 0.895 120.918 119.950 0.121 0.000 2.095 277 F HA -0.170 4.357 4.527 -0.001 0.000 0.298 277 F C 2.089 177.920 175.800 0.052 0.000 1.104 277 F CA 1.736 59.789 58.000 0.088 0.000 1.232 277 F CB -0.473 38.532 39.000 0.007 0.000 0.987 277 F HN 0.128 nan 8.300 nan 0.000 0.475 278 A N -0.749 122.132 122.820 0.102 0.000 1.930 278 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 278 A C 2.058 179.741 177.584 0.164 0.000 1.175 278 A CA 1.748 53.723 52.037 -0.103 0.000 0.627 278 A CB -1.164 17.454 19.000 -0.636 0.000 0.815 278 A HN 0.548 nan 8.150 nan 0.000 0.443 279 H N -0.085 119.168 119.070 0.304 0.000 2.353 279 H HA -0.026 4.529 4.556 -0.000 0.000 0.300 279 H C 2.522 178.039 175.328 0.316 0.000 1.090 279 H CA 1.222 57.488 56.048 0.364 0.000 1.327 279 H CB -0.623 29.305 29.762 0.277 0.000 1.383 279 H HN 0.494 nan 8.280 nan 0.000 0.508 280 A N 0.794 123.846 122.820 0.388 0.000 1.902 280 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 280 A C 2.689 179.989 177.584 -0.475 0.000 1.181 280 A CA 1.882 53.781 52.037 -0.229 0.000 0.623 280 A CB -0.904 17.978 19.000 -0.196 0.000 0.818 280 A HN 0.444 nan 8.150 nan 0.000 0.443 281 A N -0.244 122.378 122.820 -0.331 0.000 1.902 281 A HA 0.175 4.495 4.320 -0.001 0.000 0.217 281 A C 2.473 179.941 177.584 -0.192 0.000 1.181 281 A CA 2.084 53.929 52.037 -0.320 0.000 0.623 281 A CB -0.923 17.881 19.000 -0.327 0.000 0.818 281 A HN 1.046 nan 8.150 nan 0.000 0.443 282 A N -0.404 122.387 122.820 -0.048 0.000 1.968 282 A HA 0.296 4.616 4.320 -0.001 0.000 0.217 282 A C 2.440 180.005 177.584 -0.032 0.000 1.169 282 A CA 1.648 53.699 52.037 0.024 0.000 0.638 282 A CB -0.834 18.277 19.000 0.185 0.000 0.812 282 A HN 0.960 nan 8.150 nan 0.000 0.446 283 A N 0.309 123.082 122.820 -0.079 0.000 1.902 283 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 283 A C 2.088 179.538 177.584 -0.223 0.000 1.181 283 A CA 1.541 53.502 52.037 -0.127 0.000 0.623 283 A CB -0.615 18.291 19.000 -0.156 0.000 0.818 283 A HN 0.488 nan 8.150 nan 0.000 0.443 284 I N -0.155 120.187 120.570 -0.380 0.000 2.127 284 I HA -0.310 3.859 4.170 -0.001 0.000 0.241 284 I C 3.012 179.057 176.117 -0.120 0.000 1.075 284 I CA 1.181 62.329 61.300 -0.253 0.000 1.334 284 I CB -0.454 37.380 38.000 -0.278 0.000 1.040 284 I HN 0.352 nan 8.210 nan 0.000 0.405 285 A N 0.709 123.463 122.820 -0.110 0.000 1.917 285 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 285 A C 2.350 179.914 177.584 -0.032 0.000 1.182 285 A CA 2.385 54.386 52.037 -0.060 0.000 0.633 285 A CB -1.257 17.712 19.000 -0.052 0.000 0.819 285 A HN 0.441 nan 8.150 nan 0.000 0.448 286 V N -1.972 117.927 119.914 -0.026 0.000 3.305 286 V HA -0.049 4.071 4.120 -0.001 0.000 0.269 286 V C 1.870 177.963 176.094 -0.001 0.000 1.157 286 V CA 2.059 64.357 62.300 -0.004 0.000 1.157 286 V CB -1.570 30.257 31.823 0.007 0.000 0.772 286 V HN 0.700 nan 8.190 nan 0.000 0.498 287 T N -2.008 112.540 114.554 -0.010 0.000 3.107 287 T HA 0.318 4.668 4.350 -0.001 0.000 0.249 287 T C 0.690 175.389 174.700 -0.001 0.000 1.096 287 T CA -0.201 61.901 62.100 0.002 0.000 1.012 287 T CB -0.175 68.701 68.868 0.013 0.000 0.977 287 T HN 0.596 nan 8.240 nan 0.000 0.527 288 R N 0.760 121.257 120.500 -0.006 0.000 2.750 288 R HA 0.550 4.889 4.340 -0.001 0.000 0.281 288 R C -0.645 175.652 176.300 -0.005 0.000 0.972 288 R CA -0.954 55.143 56.100 -0.006 0.000 0.912 288 R CB 1.800 32.097 30.300 -0.005 0.000 1.187 288 R HN 0.200 nan 8.270 nan 0.000 0.464 289 K N 1.126 121.520 120.400 -0.011 0.000 2.237 289 K HA 0.461 4.781 4.320 -0.001 0.000 0.270 289 K C 0.337 176.938 176.600 0.000 0.000 1.015 289 K CA -0.015 56.265 56.287 -0.012 0.000 0.949 289 K CB 1.031 33.505 32.500 -0.044 0.000 0.976 289 K HN 0.831 nan 8.250 nan 0.000 0.472 290 G N 0.365 109.173 108.800 0.014 0.000 2.756 290 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.678 290 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.678 290 G C 0.086 174.993 174.900 0.012 0.000 1.349 290 G CA -0.331 44.779 45.100 0.016 0.000 0.847 290 G HN 0.654 nan 8.290 nan 0.000 0.548 291 A N -0.697 122.128 122.820 0.009 0.000 2.383 291 A HA 0.422 4.742 4.320 -0.001 0.000 0.225 291 A C 2.194 179.776 177.584 -0.004 0.000 1.946 291 A CA 1.727 53.768 52.037 0.006 0.000 0.739 291 A CB -0.832 18.176 19.000 0.012 0.000 1.405 291 A HN 1.122 nan 8.150 nan 0.000 0.548 292 Q N -0.119 119.682 119.800 0.001 0.000 2.096 292 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 292 Q C -0.857 175.137 176.000 -0.010 0.000 0.982 292 Q CA 2.150 57.950 55.803 -0.006 0.000 0.850 292 Q CB -0.817 27.940 28.738 0.032 0.000 0.901 292 Q HN 0.438 nan 8.270 nan 0.000 0.422 293 P HA -0.108 nan 4.420 nan 0.000 0.222 293 P C 1.038 178.344 177.300 0.009 0.000 1.147 293 P CA 1.608 64.721 63.100 0.022 0.000 0.790 293 P CB -0.041 31.675 31.700 0.027 0.000 0.780 294 S N -1.783 113.912 115.700 -0.008 0.000 2.522 294 S HA 0.007 4.477 4.470 -0.001 0.000 0.227 294 S C 0.811 175.384 174.600 -0.045 0.000 0.986 294 S CA -0.028 58.162 58.200 -0.016 0.000 0.929 294 S CB -1.158 62.033 63.200 -0.015 0.000 0.769 294 S HN -0.143 nan 8.310 nan 0.000 0.529 295 V N 5.268 125.135 119.914 -0.079 0.000 2.521 295 V HA 0.266 4.385 4.120 -0.001 0.000 0.286 295 V C -1.702 174.281 176.094 -0.185 0.000 1.034 295 V CA -1.613 60.602 62.300 -0.142 0.000 1.045 295 V CB 0.238 31.949 31.823 -0.187 0.000 0.974 295 V HN 0.406 nan 8.190 nan 0.000 0.480 296 P HA 0.209 nan 4.420 nan 0.000 0.279 296 P C -0.974 176.222 177.300 -0.174 0.000 1.252 296 P CA -0.659 62.377 63.100 -0.107 0.000 0.811 296 P CB 0.919 32.555 31.700 -0.107 0.000 1.035 297 W N 0.839 122.110 121.300 -0.049 0.000 2.332 297 W HA 0.355 5.015 4.660 -0.000 0.000 0.351 297 W C 2.031 178.536 176.519 -0.024 0.000 1.195 297 W CA -0.357 56.972 57.345 -0.027 0.000 1.334 297 W CB 0.174 29.627 29.460 -0.013 0.000 1.206 297 W HN 0.364 nan 8.180 nan 0.000 0.637 298 R N 1.109 121.774 120.500 0.275 0.000 2.096 298 R HA -0.233 4.107 4.340 -0.001 0.000 0.240 298 R C 1.578 177.974 176.300 0.160 0.000 1.139 298 R CA 2.251 58.469 56.100 0.197 0.000 0.952 298 R CB -0.499 29.932 30.300 0.218 0.000 0.854 298 R HN 0.547 nan 8.270 nan 0.000 0.436 299 E N 0.386 120.683 120.200 0.161 0.000 2.118 299 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 299 E C 1.899 178.553 176.600 0.090 0.000 0.992 299 E CA 1.893 58.356 56.400 0.104 0.000 0.804 299 E CB -0.133 29.606 29.700 0.066 0.000 0.741 299 E HN 0.595 nan 8.360 nan 0.000 0.458 300 E N 0.192 120.453 120.200 0.103 0.000 2.106 300 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 300 E C 2.132 178.760 176.600 0.046 0.000 0.984 300 E CA 0.851 57.297 56.400 0.076 0.000 0.806 300 E CB -0.176 29.576 29.700 0.087 0.000 0.750 300 E HN 0.286 nan 8.360 nan 0.000 0.458 301 I N 1.858 122.420 120.570 -0.013 0.000 2.179 301 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 301 I C 1.910 178.034 176.117 0.011 0.000 1.088 301 I CA 1.110 62.340 61.300 -0.118 0.000 1.357 301 I CB -0.275 37.514 38.000 -0.353 0.000 1.051 301 I HN -0.002 nan 8.210 nan 0.000 0.409 302 D N 1.144 121.587 120.400 0.072 0.000 2.117 302 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 302 D C 2.272 178.623 176.300 0.086 0.000 0.987 302 D CA 1.638 55.707 54.000 0.115 0.000 0.829 302 D CB -0.227 40.649 40.800 0.127 0.000 0.961 302 D HN 0.355 nan 8.370 nan 0.000 0.460 303 A N 0.355 123.219 122.820 0.074 0.000 1.933 303 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 303 A C 2.119 179.727 177.584 0.041 0.000 1.175 303 A CA 1.042 53.109 52.037 0.049 0.000 0.628 303 A CB -0.996 18.031 19.000 0.046 0.000 0.814 303 A HN 0.261 nan 8.150 nan 0.000 0.444 304 F N 0.390 120.285 119.950 -0.091 0.000 2.134 304 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 304 F C 1.883 177.570 175.800 -0.189 0.000 1.097 304 F CA 1.690 59.595 58.000 -0.158 0.000 1.264 304 F CB -0.183 38.686 39.000 -0.218 0.000 1.001 304 F HN 0.142 nan 8.300 nan 0.000 0.479 305 L N -0.220 121.052 121.223 0.082 0.000 2.056 305 L HA -0.198 4.142 4.340 -0.001 0.000 0.207 305 L C 2.113 178.967 176.870 -0.026 0.000 1.078 305 L CA 1.289 56.149 54.840 0.034 0.000 0.749 305 L CB -0.825 41.322 42.059 0.147 0.000 0.901 305 L HN 0.019 nan 8.230 nan 0.000 0.433 306 D N 0.228 120.623 120.400 -0.008 0.000 2.149 306 D HA -0.169 4.470 4.640 -0.001 0.000 0.198 306 D C 2.232 178.494 176.300 -0.064 0.000 0.990 306 D CA 1.153 55.143 54.000 -0.016 0.000 0.839 306 D CB -0.115 40.685 40.800 -0.000 0.000 0.948 306 D HN 0.271 nan 8.370 nan 0.000 0.460 307 R N -0.147 120.271 120.500 -0.136 0.000 2.276 307 R HA 0.022 4.362 4.340 -0.001 0.000 0.203 307 R C 0.572 176.754 176.300 -0.197 0.000 1.017 307 R CA 0.172 56.170 56.100 -0.170 0.000 1.010 307 R CB 0.068 30.228 30.300 -0.234 0.000 0.900 307 R HN 0.026 nan 8.270 nan 0.000 0.469 308 Q N 1.768 121.442 119.800 -0.211 0.000 2.678 308 Q HA 0.104 4.443 4.340 -0.001 0.000 0.222 308 Q C -0.863 175.128 176.000 -0.014 0.000 1.281 308 Q CA 0.197 55.913 55.803 -0.144 0.000 0.994 308 Q CB 0.232 28.879 28.738 -0.152 0.000 1.452 308 Q HN 0.151 nan 8.270 nan 0.000 0.570 309 R N 0.000 120.487 120.500 -0.021 0.000 2.786 309 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 309 R CA 0.000 56.103 56.100 0.006 0.000 0.921 309 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 309 R HN 0.000 nan 8.270 nan 0.000 0.535