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 1we3_1_M DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.556 177.584 -0.046 0.000 1.274 3 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 3 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 4 K N 0.427 120.802 120.400 -0.042 0.000 2.627 4 K HA 0.721 5.041 4.320 0.000 0.000 0.269 4 K C -0.196 176.375 176.600 -0.049 0.000 1.029 4 K CA -0.514 55.738 56.287 -0.059 0.000 1.026 4 K CB 1.145 33.616 32.500 -0.048 0.000 1.350 4 K HN 0.992 nan 8.250 nan 0.000 0.506 5 I N 0.823 121.361 120.570 -0.055 0.000 2.654 5 I HA 0.168 4.338 4.170 0.000 0.000 0.282 5 I C -1.473 174.615 176.117 -0.049 0.000 1.258 5 I CA -0.453 60.826 61.300 -0.035 0.000 1.088 5 I CB 0.608 38.585 38.000 -0.038 0.000 1.316 5 I HN 0.352 nan 8.210 nan 0.000 0.448 6 L N 7.009 128.217 121.223 -0.025 0.000 2.436 6 L HA 0.624 4.964 4.340 0.000 0.000 0.265 6 L C -0.581 176.238 176.870 -0.085 0.000 1.168 6 L CA -0.576 54.200 54.840 -0.106 0.000 0.815 6 L CB 1.479 43.542 42.059 0.006 0.000 1.109 6 L HN 0.356 nan 8.230 nan 0.000 0.462 7 V N 1.961 121.680 119.914 -0.324 0.000 2.752 7 V HA 0.412 4.532 4.120 0.000 0.000 0.302 7 V C -0.827 175.070 176.094 -0.329 0.000 1.133 7 V CA -0.556 61.668 62.300 -0.126 0.000 0.919 7 V CB 1.771 33.552 31.823 -0.069 0.000 1.026 7 V HN 0.428 nan 8.190 nan 0.000 0.429 8 F N 0.510 120.461 119.950 0.003 0.000 2.671 8 F HA 0.641 5.168 4.527 -0.000 0.000 0.373 8 F C 1.131 176.933 175.800 0.003 0.000 1.122 8 F CA -0.688 57.313 58.000 0.002 0.000 1.082 8 F CB 0.324 39.325 39.000 0.001 0.000 1.399 8 F HN 0.590 nan 8.300 nan 0.000 0.509 9 D N 0.174 120.712 120.400 0.230 0.000 3.470 9 D HA -0.330 4.310 4.640 0.000 0.000 0.175 9 D C 1.399 177.744 176.300 0.076 0.000 1.216 9 D CA 1.581 55.653 54.000 0.121 0.000 0.889 9 D CB -0.558 40.303 40.800 0.103 0.000 0.506 9 D HN 0.779 nan 8.370 nan 0.000 0.500 10 E N 0.681 120.915 120.200 0.058 0.000 2.147 10 E HA -0.230 4.120 4.350 0.000 0.000 0.199 10 E C 2.095 178.719 176.600 0.040 0.000 1.005 10 E CA 1.479 57.903 56.400 0.040 0.000 0.810 10 E CB -0.232 29.487 29.700 0.032 0.000 0.736 10 E HN 0.436 nan 8.360 nan 0.000 0.460 11 A N 1.184 124.037 122.820 0.055 0.000 1.884 11 A HA -0.264 4.056 4.320 0.000 0.000 0.219 11 A C 2.355 179.960 177.584 0.034 0.000 1.197 11 A CA 2.330 54.398 52.037 0.051 0.000 0.637 11 A CB -0.908 18.138 19.000 0.077 0.000 0.827 11 A HN 0.413 nan 8.150 nan 0.000 0.450 12 A N -0.506 122.333 122.820 0.030 0.000 1.835 12 A HA -0.151 4.169 4.320 0.000 0.000 0.215 12 A C 2.199 179.784 177.584 0.002 0.000 1.199 12 A CA 1.611 53.648 52.037 -0.001 0.000 0.615 12 A CB -0.611 18.372 19.000 -0.029 0.000 0.838 12 A HN 0.536 nan 8.150 nan 0.000 0.444 13 R N -0.957 119.548 120.500 0.009 0.000 2.133 13 R HA -0.152 4.188 4.340 0.000 0.000 0.247 13 R C 2.335 178.641 176.300 0.009 0.000 1.151 13 R CA 1.570 57.675 56.100 0.008 0.000 0.971 13 R CB -0.308 30.000 30.300 0.013 0.000 0.866 13 R HN 0.332 nan 8.270 nan 0.000 0.447 14 R N 0.113 120.621 120.500 0.013 0.000 2.092 14 R HA 0.015 4.355 4.340 0.000 0.000 0.231 14 R C 2.166 178.472 176.300 0.009 0.000 1.119 14 R CA 1.326 57.433 56.100 0.012 0.000 0.970 14 R CB -0.703 29.606 30.300 0.015 0.000 0.864 14 R HN 0.261 nan 8.270 nan 0.000 0.440 15 A N 1.474 124.300 122.820 0.009 0.000 1.858 15 A HA -0.115 4.205 4.320 0.000 0.000 0.216 15 A C 2.399 179.986 177.584 0.005 0.000 1.190 15 A CA 1.145 53.187 52.037 0.008 0.000 0.617 15 A CB -0.717 18.288 19.000 0.008 0.000 0.827 15 A HN 0.176 nan 8.150 nan 0.000 0.443 16 L N -0.629 120.595 121.223 0.002 0.000 1.990 16 L HA -0.279 4.061 4.340 0.000 0.000 0.213 16 L C 2.731 179.602 176.870 0.002 0.000 1.072 16 L CA 2.123 56.963 54.840 0.001 0.000 0.755 16 L CB -0.695 41.362 42.059 -0.002 0.000 0.889 16 L HN 0.674 nan 8.230 nan 0.000 0.432 17 E N 0.483 120.685 120.200 0.003 0.000 2.130 17 E HA -0.278 4.073 4.350 0.000 0.000 0.196 17 E C 2.324 178.925 176.600 0.003 0.000 0.998 17 E CA 1.340 57.742 56.400 0.004 0.000 0.806 17 E CB 0.023 29.727 29.700 0.005 0.000 0.738 17 E HN 0.364 nan 8.360 nan 0.000 0.459 18 R N -0.350 120.152 120.500 0.004 0.000 2.083 18 R HA -0.124 4.216 4.340 0.000 0.000 0.237 18 R C 2.534 178.834 176.300 0.000 0.000 1.137 18 R CA 1.342 57.443 56.100 0.003 0.000 0.951 18 R CB -0.552 29.750 30.300 0.003 0.000 0.851 18 R HN 0.325 nan 8.270 nan 0.000 0.434 19 G N 0.252 109.052 108.800 -0.000 0.000 2.433 19 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 19 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 19 G C 1.468 176.367 174.900 -0.002 0.000 1.186 19 G CA 0.822 45.920 45.100 -0.002 0.000 0.779 19 G HN 0.140 nan 8.290 nan 0.000 0.543 20 V N 1.755 121.669 119.914 -0.000 0.000 2.278 20 V HA -0.284 3.836 4.120 0.000 0.000 0.251 20 V C 2.683 178.777 176.094 0.000 0.000 1.062 20 V CA 2.115 64.415 62.300 0.000 0.000 1.038 20 V CB -0.469 31.355 31.823 0.001 0.000 0.646 20 V HN 0.379 nan 8.190 nan 0.000 0.447 21 N N -0.022 118.679 118.700 0.001 0.000 2.188 21 N HA -0.088 4.652 4.740 0.000 0.000 0.184 21 N C 1.945 177.455 175.510 -0.001 0.000 1.018 21 N CA 1.495 54.545 53.050 0.001 0.000 0.858 21 N CB -0.361 38.127 38.487 0.002 0.000 0.989 21 N HN 0.510 nan 8.380 nan 0.000 0.426 22 A N 1.214 124.032 122.820 -0.002 0.000 1.873 22 A HA -0.143 4.177 4.320 0.000 0.000 0.218 22 A C 2.543 180.124 177.584 -0.004 0.000 1.193 22 A CA 1.713 53.748 52.037 -0.004 0.000 0.629 22 A CB -0.932 18.064 19.000 -0.007 0.000 0.826 22 A HN 0.092 nan 8.150 nan 0.000 0.447 23 V N -0.281 119.631 119.914 -0.004 0.000 2.216 23 V HA -0.219 3.901 4.120 0.000 0.000 0.243 23 V C 3.077 179.170 176.094 -0.001 0.000 1.044 23 V CA 2.089 64.387 62.300 -0.003 0.000 0.995 23 V CB -1.564 30.258 31.823 -0.003 0.000 0.633 23 V HN 0.660 nan 8.190 nan 0.000 0.446 24 A N 0.708 123.528 122.820 -0.000 0.000 1.929 24 A HA -0.340 3.980 4.320 0.000 0.000 0.221 24 A C 2.006 179.591 177.584 0.002 0.000 1.211 24 A CA 2.591 54.629 52.037 0.001 0.000 0.657 24 A CB -0.935 18.066 19.000 0.002 0.000 0.827 24 A HN 0.662 nan 8.150 nan 0.000 0.462 25 N N -0.180 118.521 118.700 0.001 0.000 2.309 25 N HA -0.035 4.705 4.740 0.000 0.000 0.182 25 N C 1.784 177.295 175.510 0.001 0.000 1.018 25 N CA 1.371 54.422 53.050 0.002 0.000 0.876 25 N CB -0.432 38.056 38.487 0.001 0.000 0.972 25 N HN 0.550 nan 8.380 nan 0.000 0.434 26 A N 0.464 123.283 122.820 -0.000 0.000 1.935 26 A HA 0.042 4.362 4.320 0.000 0.000 0.214 26 A C 2.472 180.056 177.584 -0.000 0.000 1.178 26 A CA 0.663 52.699 52.037 -0.001 0.000 0.640 26 A CB -0.409 18.589 19.000 -0.003 0.000 0.825 26 A HN 0.059 nan 8.150 nan 0.000 0.447 27 V N 1.596 121.510 119.914 0.000 0.000 2.255 27 V HA -0.265 3.855 4.120 0.000 0.000 0.243 27 V C 2.512 178.607 176.094 0.002 0.000 1.038 27 V CA 2.240 64.540 62.300 0.001 0.000 1.008 27 V CB -0.803 31.021 31.823 0.001 0.000 0.645 27 V HN 0.827 nan 8.190 nan 0.000 0.449 28 K N 1.725 122.127 120.400 0.003 0.000 2.362 28 K HA -0.152 4.168 4.320 0.000 0.000 0.202 28 K C 1.675 178.279 176.600 0.007 0.000 1.045 28 K CA 1.833 58.122 56.287 0.005 0.000 0.936 28 K CB -0.889 31.614 32.500 0.006 0.000 0.747 28 K HN 0.533 nan 8.250 nan 0.000 0.467 29 V N -0.334 119.584 119.914 0.007 0.000 3.444 29 V HA -0.049 4.071 4.120 0.000 0.000 0.271 29 V C 1.708 177.808 176.094 0.009 0.000 1.188 29 V CA 1.399 63.705 62.300 0.009 0.000 1.168 29 V CB -0.928 30.900 31.823 0.008 0.000 0.810 29 V HN 0.573 nan 8.190 nan 0.000 0.500 30 T N -3.034 111.523 114.554 0.006 0.000 2.985 30 T HA 0.323 4.673 4.350 0.000 0.000 0.254 30 T C 0.492 175.193 174.700 0.002 0.000 1.021 30 T CA -0.142 61.961 62.100 0.004 0.000 0.957 30 T CB -0.023 68.846 68.868 0.002 0.000 1.047 30 T HN 0.352 nan 8.240 nan 0.000 0.511 31 L N 2.931 124.156 121.223 0.003 0.000 2.525 31 L HA 0.463 4.803 4.340 0.000 0.000 0.278 31 L C 0.882 177.750 176.870 -0.004 0.000 1.218 31 L CA 2.069 56.909 54.840 -0.001 0.000 0.878 31 L CB -0.567 41.493 42.059 0.001 0.000 1.127 31 L HN 0.780 nan 8.230 nan 0.000 0.492 32 G N 3.643 112.435 108.800 -0.013 0.000 2.712 32 G HA2 -0.168 3.792 3.960 0.000 0.000 0.683 32 G HA3 -0.168 3.792 3.960 0.000 0.000 0.683 32 G C -1.865 173.017 174.900 -0.030 0.000 1.320 32 G CA -0.440 44.645 45.100 -0.025 0.000 0.847 32 G HN 0.532 nan 8.290 nan 0.000 0.553 33 P HA -0.002 nan 4.420 nan 0.000 0.223 33 P C 1.109 178.388 177.300 -0.035 0.000 1.144 33 P CA 1.089 64.156 63.100 -0.054 0.000 0.783 33 P CB 0.113 31.756 31.700 -0.094 0.000 0.771 34 R N -0.894 119.594 120.500 -0.020 0.000 2.698 34 R HA 0.305 4.645 4.340 0.000 0.000 0.422 34 R C 0.633 176.941 176.300 0.013 0.000 1.073 34 R CA -0.344 55.758 56.100 0.003 0.000 1.054 34 R CB -0.053 30.261 30.300 0.023 0.000 1.373 34 R HN 0.043 nan 8.270 nan 0.000 0.593 35 G N 1.376 110.179 108.800 0.005 0.000 2.568 35 G HA2 -0.036 3.924 3.960 0.000 0.000 0.231 35 G HA3 -0.036 3.924 3.960 0.000 0.000 0.231 35 G C 0.296 175.203 174.900 0.012 0.000 1.261 35 G CA -0.251 44.854 45.100 0.009 0.000 0.855 35 G HN 0.087 nan 8.290 nan 0.000 0.576 36 R N 0.381 120.889 120.500 0.013 0.000 2.541 36 R HA 0.165 4.505 4.340 0.000 0.000 0.263 36 R C 0.254 176.558 176.300 0.007 0.000 1.112 36 R CA -0.617 55.490 56.100 0.012 0.000 1.170 36 R CB 0.331 30.639 30.300 0.014 0.000 1.167 36 R HN 0.676 nan 8.270 nan 0.000 0.582 37 N N -0.565 118.138 118.700 0.005 0.000 2.488 37 N HA 0.209 4.949 4.740 0.000 0.000 0.274 37 N C -0.944 174.566 175.510 0.000 0.000 1.111 37 N CA -0.319 52.731 53.050 0.001 0.000 0.974 37 N CB 1.219 39.706 38.487 0.000 0.000 1.089 37 N HN 0.060 nan 8.380 nan 0.000 0.465 38 V N 2.870 122.782 119.914 -0.002 0.000 2.448 38 V HA 0.275 4.395 4.120 0.000 0.000 0.295 38 V C -0.107 175.984 176.094 -0.005 0.000 1.025 38 V CA -0.794 61.504 62.300 -0.003 0.000 0.859 38 V CB 1.762 33.583 31.823 -0.004 0.000 0.988 38 V HN 0.329 nan 8.190 nan 0.000 0.431 39 V N 6.643 126.554 119.914 -0.006 0.000 2.432 39 V HA 0.475 4.596 4.120 0.000 0.000 0.275 39 V C -0.411 175.678 176.094 -0.008 0.000 1.043 39 V CA -0.393 61.903 62.300 -0.007 0.000 0.925 39 V CB 1.374 33.193 31.823 -0.007 0.000 0.985 39 V HN 0.581 nan 8.190 nan 0.000 0.466 40 L N 5.065 126.283 121.223 -0.009 0.000 2.356 40 L HA 0.519 4.859 4.340 0.000 0.000 0.277 40 L C -0.009 176.857 176.870 -0.008 0.000 0.996 40 L CA -0.321 54.514 54.840 -0.009 0.000 0.822 40 L CB 1.892 43.946 42.059 -0.009 0.000 1.256 40 L HN 0.825 nan 8.230 nan 0.000 0.413 41 E N 3.093 123.287 120.200 -0.009 0.000 2.231 41 E HA 0.509 4.859 4.350 0.000 0.000 0.277 41 E C -1.055 175.543 176.600 -0.003 0.000 0.999 41 E CA -0.984 55.410 56.400 -0.009 0.000 0.827 41 E CB 1.423 31.113 29.700 -0.018 0.000 1.101 41 E HN 0.173 nan 8.360 nan 0.000 0.393 42 K N 3.195 123.601 120.400 0.008 0.000 2.159 42 K HA 0.191 4.511 4.320 0.000 0.000 0.266 42 K C 0.512 177.127 176.600 0.025 0.000 0.975 42 K CA -0.607 55.701 56.287 0.036 0.000 0.865 42 K CB 1.474 34.010 32.500 0.059 0.000 1.087 42 K HN 0.565 nan 8.250 nan 0.000 0.446 43 K N 1.147 121.563 120.400 0.026 0.000 2.059 43 K HA -0.178 4.142 4.320 0.000 0.000 0.212 43 K C 1.359 177.775 176.600 -0.308 0.000 1.050 43 K CA 1.938 58.132 56.287 -0.154 0.000 0.927 43 K CB -0.127 32.253 32.500 -0.200 0.000 0.714 43 K HN 0.355 nan 8.250 nan 0.000 0.447 44 F N 0.004 119.944 119.950 -0.017 0.000 2.387 44 F HA 0.182 4.710 4.527 0.001 0.000 0.278 44 F C 1.805 177.596 175.800 -0.015 0.000 1.010 44 F CA -0.015 57.976 58.000 -0.015 0.000 1.236 44 F CB -1.108 37.883 39.000 -0.015 0.000 1.137 44 F HN -0.059 nan 8.300 nan 0.000 0.604 45 G N 0.526 109.450 108.800 0.206 0.000 2.699 45 G HA2 0.311 4.271 3.960 0.000 0.000 0.246 45 G HA3 0.311 4.271 3.960 0.000 0.000 0.246 45 G C 0.203 175.134 174.900 0.053 0.000 1.219 45 G CA 0.010 45.168 45.100 0.097 0.000 0.866 45 G HN 0.369 nan 8.290 nan 0.000 0.572 46 S N 0.945 116.663 115.700 0.030 0.000 2.626 46 S HA 0.433 4.903 4.470 0.000 0.000 0.257 46 S C -1.859 172.746 174.600 0.008 0.000 1.288 46 S CA -0.836 57.372 58.200 0.013 0.000 0.980 46 S CB 0.982 64.187 63.200 0.008 0.000 0.975 46 S HN 0.632 nan 8.310 nan 0.000 0.577 47 P HA 0.231 nan 4.420 nan 0.000 0.271 47 P C -0.610 176.688 177.300 -0.003 0.000 1.233 47 P CA -0.115 62.983 63.100 -0.003 0.000 0.789 47 P CB 0.210 31.907 31.700 -0.006 0.000 0.951 48 T N 1.084 115.635 114.554 -0.005 0.000 2.908 48 T HA 0.665 5.016 4.350 0.000 0.000 0.290 48 T C 0.073 174.768 174.700 -0.009 0.000 1.034 48 T CA -0.518 61.577 62.100 -0.008 0.000 1.010 48 T CB 0.906 69.768 68.868 -0.010 0.000 1.068 48 T HN 0.445 nan 8.240 nan 0.000 0.481 49 I N -0.608 119.955 120.570 -0.010 0.000 2.545 49 I HA 0.848 5.018 4.170 0.000 0.000 0.292 49 I C -0.631 175.479 176.117 -0.011 0.000 1.040 49 I CA -0.523 60.771 61.300 -0.009 0.000 1.068 49 I CB 2.351 40.346 38.000 -0.008 0.000 1.251 49 I HN 0.498 nan 8.210 nan 0.000 0.424 50 T N 3.682 118.230 114.554 -0.010 0.000 2.742 50 T HA 0.562 4.912 4.350 0.000 0.000 0.282 50 T C 0.042 174.737 174.700 -0.007 0.000 1.025 50 T CA -0.784 61.309 62.100 -0.011 0.000 1.020 50 T CB 1.986 70.847 68.868 -0.012 0.000 1.317 50 T HN 0.736 nan 8.240 nan 0.000 0.538 51 K N -0.148 120.248 120.400 -0.007 0.000 2.617 51 K HA 0.141 4.461 4.320 0.000 0.000 0.184 51 K C -1.028 175.570 176.600 -0.003 0.000 1.295 51 K CA -0.190 56.095 56.287 -0.003 0.000 1.112 51 K CB 0.818 33.316 32.500 -0.003 0.000 1.069 51 K HN 0.491 nan 8.250 nan 0.000 0.570 52 D N 0.241 120.638 120.400 -0.004 0.000 2.329 52 D HA 0.154 4.794 4.640 0.000 0.000 0.232 52 D C 0.924 177.224 176.300 -0.000 0.000 1.088 52 D CA -0.066 53.934 54.000 -0.001 0.000 0.835 52 D CB 1.750 42.548 40.800 -0.002 0.000 1.078 52 D HN 0.217 nan 8.370 nan 0.000 0.495 53 G N 2.861 111.662 108.800 0.002 0.000 2.459 53 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 53 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 53 G C 1.576 176.477 174.900 0.002 0.000 1.183 53 G CA 1.098 46.199 45.100 0.002 0.000 0.776 53 G HN 0.496 nan 8.290 nan 0.000 0.552 54 V N 0.881 120.798 119.914 0.006 0.000 2.392 54 V HA -0.193 3.927 4.120 0.000 0.000 0.249 54 V C 3.040 179.135 176.094 0.000 0.000 1.059 54 V CA 2.308 64.612 62.300 0.006 0.000 1.051 54 V CB -1.287 30.545 31.823 0.016 0.000 0.658 54 V HN 0.370 nan 8.190 nan 0.000 0.455 55 T N 0.508 115.060 114.554 -0.004 0.000 2.674 55 T HA -0.161 4.189 4.350 0.000 0.000 0.265 55 T C 1.994 176.688 174.700 -0.010 0.000 1.039 55 T CA 1.833 63.925 62.100 -0.013 0.000 1.150 55 T CB -0.295 68.562 68.868 -0.019 0.000 0.864 55 T HN 0.319 nan 8.240 nan 0.000 0.427 56 V N 1.861 121.770 119.914 -0.008 0.000 2.295 56 V HA -0.159 3.961 4.120 0.000 0.000 0.246 56 V C 2.940 179.030 176.094 -0.006 0.000 1.049 56 V CA 1.639 63.934 62.300 -0.007 0.000 1.024 56 V CB -1.373 30.447 31.823 -0.005 0.000 0.648 56 V HN 0.531 nan 8.190 nan 0.000 0.447 57 A N -0.154 122.664 122.820 -0.004 0.000 1.927 57 A HA -0.323 3.997 4.320 0.000 0.000 0.220 57 A C 2.293 179.875 177.584 -0.004 0.000 1.185 57 A CA 2.404 54.439 52.037 -0.003 0.000 0.639 57 A CB -0.562 18.438 19.000 -0.000 0.000 0.820 57 A HN 0.566 nan 8.150 nan 0.000 0.451 58 K N -0.658 119.739 120.400 -0.004 0.000 2.063 58 K HA -0.137 4.183 4.320 0.000 0.000 0.208 58 K C 1.479 178.074 176.600 -0.008 0.000 1.048 58 K CA 1.363 57.647 56.287 -0.005 0.000 0.928 58 K CB -0.115 32.381 32.500 -0.007 0.000 0.713 58 K HN 0.397 nan 8.250 nan 0.000 0.442 59 E N 0.578 120.772 120.200 -0.009 0.000 2.511 59 E HA -0.013 4.337 4.350 0.000 0.000 0.196 59 E C -0.189 176.404 176.600 -0.011 0.000 1.066 59 E CA 0.247 56.641 56.400 -0.010 0.000 0.871 59 E CB 0.192 29.887 29.700 -0.010 0.000 0.863 59 E HN -0.023 nan 8.360 nan 0.000 0.520 60 V N 2.018 121.926 119.914 -0.011 0.000 2.368 60 V HA 0.160 4.280 4.120 0.000 0.000 0.266 60 V C 0.088 176.173 176.094 -0.016 0.000 1.045 60 V CA -0.134 62.158 62.300 -0.012 0.000 0.899 60 V CB 0.754 32.571 31.823 -0.010 0.000 1.006 60 V HN 0.024 nan 8.190 nan 0.000 0.470 61 E N 5.078 125.265 120.200 -0.021 0.000 2.274 61 E HA 0.513 4.863 4.350 0.000 0.000 0.269 61 E C -1.331 175.246 176.600 -0.038 0.000 0.891 61 E CA -0.663 55.719 56.400 -0.029 0.000 0.784 61 E CB 1.487 31.169 29.700 -0.030 0.000 1.225 61 E HN 0.595 nan 8.360 nan 0.000 0.412 62 L N 3.708 124.904 121.223 -0.045 0.000 2.357 62 L HA 0.340 4.680 4.340 0.000 0.000 0.273 62 L C 1.423 178.246 176.870 -0.079 0.000 1.080 62 L CA -0.497 54.314 54.840 -0.049 0.000 0.803 62 L CB 1.026 43.062 42.059 -0.038 0.000 1.174 62 L HN 0.707 nan 8.230 nan 0.000 0.443 63 E N 0.291 120.449 120.200 -0.070 0.000 2.051 63 E HA -0.157 4.193 4.350 0.000 0.000 0.192 63 E C 0.364 176.893 176.600 -0.119 0.000 0.991 63 E CA 0.825 57.172 56.400 -0.089 0.000 0.799 63 E CB 0.099 29.767 29.700 -0.054 0.000 0.748 63 E HN 0.603 nan 8.360 nan 0.000 0.449 64 D N 0.124 120.483 120.400 -0.068 0.000 2.401 64 D HA -0.074 4.566 4.640 0.000 0.000 0.254 64 D C 0.889 177.161 176.300 -0.047 0.000 1.192 64 D CA 0.188 54.166 54.000 -0.036 0.000 0.885 64 D CB 0.641 41.441 40.800 -0.001 0.000 1.147 64 D HN 0.178 nan 8.370 nan 0.000 0.478 65 H N 3.895 122.961 119.070 -0.006 0.000 2.289 65 H HA -0.165 4.391 4.556 -0.000 0.000 0.296 65 H C 1.976 177.297 175.328 -0.012 0.000 1.091 65 H CA 1.267 57.310 56.048 -0.009 0.000 1.274 65 H CB 0.200 29.956 29.762 -0.010 0.000 1.364 65 H HN 0.506 nan 8.280 nan 0.000 0.490 66 L N 0.661 121.956 121.223 0.120 0.000 1.989 66 L HA -0.206 4.134 4.340 0.000 0.000 0.211 66 L C 2.590 179.477 176.870 0.029 0.000 1.071 66 L CA 1.472 56.345 54.840 0.054 0.000 0.749 66 L CB -0.490 41.589 42.059 0.033 0.000 0.890 66 L HN 0.342 nan 8.230 nan 0.000 0.431 67 E N -0.096 120.115 120.200 0.019 0.000 2.085 67 E HA -0.262 4.088 4.350 0.000 0.000 0.194 67 E C 1.870 178.469 176.600 -0.001 0.000 0.994 67 E CA 1.529 57.932 56.400 0.005 0.000 0.801 67 E CB -0.266 29.433 29.700 -0.001 0.000 0.743 67 E HN 0.431 nan 8.360 nan 0.000 0.453 68 N N 1.180 119.874 118.700 -0.009 0.000 2.120 68 N HA -0.144 4.597 4.740 0.000 0.000 0.188 68 N C 1.761 177.271 175.510 0.000 0.000 1.024 68 N CA 0.937 53.976 53.050 -0.018 0.000 0.852 68 N CB -0.116 38.341 38.487 -0.050 0.000 1.003 68 N HN 0.087 nan 8.380 nan 0.000 0.424 69 I N -0.245 120.335 120.570 0.017 0.000 2.236 69 I HA -0.260 3.910 4.170 0.000 0.000 0.249 69 I C 2.249 178.370 176.117 0.007 0.000 1.102 69 I CA 1.451 62.762 61.300 0.019 0.000 1.365 69 I CB -0.724 37.290 38.000 0.023 0.000 1.051 69 I HN 0.316 nan 8.210 nan 0.000 0.420 70 G N 0.198 109.000 108.800 0.004 0.000 2.394 70 G HA2 -0.165 3.796 3.960 0.000 0.000 0.214 70 G HA3 -0.165 3.796 3.960 0.000 0.000 0.214 70 G C 1.883 176.784 174.900 0.000 0.000 1.176 70 G CA 0.730 45.831 45.100 0.001 0.000 0.786 70 G HN 0.486 nan 8.290 nan 0.000 0.533 71 A N 0.270 123.089 122.820 -0.002 0.000 1.883 71 A HA -0.131 4.189 4.320 0.000 0.000 0.217 71 A C 2.426 180.009 177.584 -0.002 0.000 1.186 71 A CA 2.145 54.180 52.037 -0.003 0.000 0.624 71 A CB -0.447 18.549 19.000 -0.008 0.000 0.822 71 A HN 0.314 nan 8.150 nan 0.000 0.444 72 Q N -0.912 118.888 119.800 -0.001 0.000 2.050 72 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 72 Q C 2.089 178.091 176.000 0.003 0.000 0.980 72 Q CA 1.239 57.043 55.803 0.002 0.000 0.840 72 Q CB -0.844 27.897 28.738 0.005 0.000 0.898 72 Q HN 0.543 nan 8.270 nan 0.000 0.424 73 L N 0.481 121.706 121.223 0.003 0.000 2.079 73 L HA -0.173 4.167 4.340 0.000 0.000 0.210 73 L C 2.181 179.052 176.870 0.002 0.000 1.081 73 L CA 1.217 56.059 54.840 0.002 0.000 0.752 73 L CB -0.723 41.336 42.059 0.001 0.000 0.896 73 L HN 0.230 nan 8.230 nan 0.000 0.433 74 L N -0.797 120.426 121.223 0.001 0.000 2.007 74 L HA -0.181 4.159 4.340 0.000 0.000 0.205 74 L C 2.461 179.333 176.870 0.002 0.000 1.073 74 L CA 1.714 56.555 54.840 0.001 0.000 0.744 74 L CB -0.670 41.389 42.059 0.001 0.000 0.898 74 L HN 0.135 nan 8.230 nan 0.000 0.435 75 K N -0.366 120.034 120.400 0.001 0.000 2.059 75 K HA -0.233 4.087 4.320 0.000 0.000 0.212 75 K C 2.003 178.605 176.600 0.003 0.000 1.050 75 K CA 1.861 58.149 56.287 0.002 0.000 0.927 75 K CB -0.377 32.124 32.500 0.002 0.000 0.714 75 K HN 0.420 nan 8.250 nan 0.000 0.447 76 E N 0.580 120.783 120.200 0.004 0.000 2.007 76 E HA -0.187 4.163 4.350 0.000 0.000 0.203 76 E C 2.216 178.818 176.600 0.004 0.000 1.020 76 E CA 1.315 57.717 56.400 0.004 0.000 0.845 76 E CB -0.615 29.087 29.700 0.005 0.000 0.779 76 E HN 0.052 nan 8.360 nan 0.000 0.466 77 V N 1.746 121.662 119.914 0.003 0.000 2.453 77 V HA -0.289 3.831 4.120 0.000 0.000 0.252 77 V C 2.409 178.504 176.094 0.002 0.000 1.068 77 V CA 1.894 64.196 62.300 0.002 0.000 1.070 77 V CB -0.958 30.866 31.823 0.002 0.000 0.664 77 V HN 0.298 nan 8.190 nan 0.000 0.461 78 A N 0.735 123.557 122.820 0.002 0.000 1.898 78 A HA -0.177 4.143 4.320 0.000 0.000 0.216 78 A C 2.556 180.141 177.584 0.003 0.000 1.181 78 A CA 2.050 54.088 52.037 0.003 0.000 0.620 78 A CB -0.723 18.279 19.000 0.003 0.000 0.819 78 A HN 0.685 nan 8.150 nan 0.000 0.442 79 S N 1.025 116.727 115.700 0.004 0.000 2.402 79 S HA -0.182 4.288 4.470 0.000 0.000 0.229 79 S C 1.549 176.151 174.600 0.003 0.000 1.021 79 S CA 1.237 59.440 58.200 0.005 0.000 0.974 79 S CB -0.607 62.596 63.200 0.006 0.000 0.800 79 S HN 0.726 nan 8.310 nan 0.000 0.484 80 K N 1.039 121.441 120.400 0.002 0.000 2.773 80 K HA 0.138 4.458 4.320 0.000 0.000 0.222 80 K C 0.523 177.123 176.600 0.001 0.000 0.985 80 K CA 0.772 57.060 56.287 0.001 0.000 1.126 80 K CB -0.449 32.052 32.500 0.002 0.000 0.919 80 K HN 0.285 nan 8.250 nan 0.000 0.487 81 T N -0.353 114.202 114.554 0.001 0.000 3.058 81 T HA -0.022 4.328 4.350 0.000 0.000 0.247 81 T C 1.390 176.089 174.700 -0.001 0.000 0.987 81 T CA -0.106 61.994 62.100 -0.000 0.000 1.062 81 T CB -0.099 68.769 68.868 0.001 0.000 1.048 81 T HN 0.304 nan 8.240 nan 0.000 0.468 82 N N 1.758 120.458 118.700 0.000 0.000 2.309 82 N HA -0.104 4.636 4.740 0.000 0.000 0.182 82 N C 0.861 176.368 175.510 -0.004 0.000 1.018 82 N CA 1.014 54.063 53.050 -0.001 0.000 0.876 82 N CB -0.157 38.333 38.487 0.006 0.000 0.972 82 N HN 0.217 nan 8.380 nan 0.000 0.434 83 D N -0.715 119.683 120.400 -0.004 0.000 2.310 83 D HA -0.019 4.621 4.640 0.000 0.000 0.212 83 D C 1.234 177.528 176.300 -0.009 0.000 0.965 83 D CA 0.557 54.553 54.000 -0.007 0.000 0.879 83 D CB 0.397 41.194 40.800 -0.005 0.000 0.921 83 D HN 0.137 nan 8.370 nan 0.000 0.510 84 V N -1.054 118.856 119.914 -0.007 0.000 3.432 84 V HA 0.484 4.604 4.120 0.000 0.000 0.298 84 V C 0.992 177.082 176.094 -0.008 0.000 1.464 84 V CA 0.475 62.771 62.300 -0.006 0.000 1.046 84 V CB 0.864 32.686 31.823 -0.002 0.000 0.887 84 V HN 0.163 nan 8.190 nan 0.000 0.441 85 A N -0.623 122.191 122.820 -0.009 0.000 2.736 85 A HA 0.541 4.861 4.320 0.000 0.000 0.222 85 A C 1.527 179.103 177.584 -0.014 0.000 1.267 85 A CA 0.653 52.683 52.037 -0.011 0.000 1.026 85 A CB 0.181 19.176 19.000 -0.007 0.000 1.281 85 A HN 1.263 nan 8.150 nan 0.000 0.577 86 G N -0.213 108.578 108.800 -0.015 0.000 2.225 86 G HA2 -0.102 3.858 3.960 0.000 0.000 0.267 86 G HA3 -0.102 3.858 3.960 0.000 0.000 0.267 86 G C -0.166 174.725 174.900 -0.014 0.000 1.024 86 G CA 1.285 46.373 45.100 -0.020 0.000 0.784 86 G HN 1.140 nan 8.290 nan 0.000 0.507 87 D N -3.503 116.892 120.400 -0.007 0.000 2.913 87 D HA 0.538 5.178 4.640 0.000 0.000 0.293 87 D C 0.820 177.118 176.300 -0.002 0.000 1.238 87 D CA 1.361 55.359 54.000 -0.004 0.000 0.738 87 D CB -0.305 40.490 40.800 -0.008 0.000 1.254 87 D HN 1.459 nan 8.370 nan 0.000 0.429 88 G N -0.078 108.721 108.800 -0.002 0.000 2.147 88 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 88 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 88 G C 0.980 175.880 174.900 0.001 0.000 1.005 88 G CA 1.263 46.362 45.100 -0.001 0.000 0.713 88 G HN 0.627 nan 8.290 nan 0.000 0.515 89 T N -0.784 113.771 114.554 0.002 0.000 2.812 89 T HA -0.024 4.326 4.350 0.000 0.000 0.264 89 T C 2.577 177.279 174.700 0.003 0.000 1.042 89 T CA 2.639 64.741 62.100 0.003 0.000 1.140 89 T CB -0.227 68.644 68.868 0.006 0.000 0.870 89 T HN 0.361 nan 8.240 nan 0.000 0.445 90 T N 1.050 115.606 114.554 0.003 0.000 2.777 90 T HA -0.071 4.279 4.350 0.000 0.000 0.266 90 T C 2.091 176.792 174.700 0.002 0.000 1.040 90 T CA 1.776 63.877 62.100 0.002 0.000 1.141 90 T CB -0.705 68.164 68.868 0.002 0.000 0.868 90 T HN 0.382 nan 8.240 nan 0.000 0.444 91 T N 1.688 116.243 114.554 0.001 0.000 2.788 91 T HA -0.028 4.322 4.350 0.000 0.000 0.268 91 T C 2.270 176.970 174.700 0.002 0.000 1.044 91 T CA 1.139 63.239 62.100 0.000 0.000 1.139 91 T CB -0.413 68.454 68.868 -0.001 0.000 0.867 91 T HN 0.419 nan 8.240 nan 0.000 0.454 92 A N 0.880 123.701 122.820 0.002 0.000 1.930 92 A HA -0.087 4.233 4.320 0.000 0.000 0.217 92 A C 2.514 180.100 177.584 0.002 0.000 1.175 92 A CA 1.959 53.997 52.037 0.002 0.000 0.627 92 A CB -1.039 17.962 19.000 0.002 0.000 0.815 92 A HN 0.476 nan 8.150 nan 0.000 0.443 93 T N -0.318 114.237 114.554 0.002 0.000 2.674 93 T HA -0.132 4.218 4.350 0.000 0.000 0.265 93 T C 1.899 176.601 174.700 0.003 0.000 1.039 93 T CA 1.596 63.697 62.100 0.002 0.000 1.150 93 T CB -0.572 68.297 68.868 0.002 0.000 0.864 93 T HN 0.129 nan 8.240 nan 0.000 0.427 94 V N 1.774 121.690 119.914 0.003 0.000 2.231 94 V HA -0.196 3.924 4.120 0.000 0.000 0.248 94 V C 2.573 178.670 176.094 0.004 0.000 1.054 94 V CA 1.749 64.051 62.300 0.004 0.000 1.015 94 V CB -0.796 31.029 31.823 0.004 0.000 0.638 94 V HN 0.441 nan 8.190 nan 0.000 0.444 95 L N -0.158 121.067 121.223 0.004 0.000 2.043 95 L HA -0.248 4.092 4.340 0.000 0.000 0.212 95 L C 2.704 179.577 176.870 0.004 0.000 1.075 95 L CA 1.797 56.640 54.840 0.004 0.000 0.752 95 L CB -0.906 41.155 42.059 0.004 0.000 0.891 95 L HN 0.408 nan 8.230 nan 0.000 0.432 96 A N -0.629 122.193 122.820 0.004 0.000 1.877 96 A HA -0.285 4.035 4.320 0.000 0.000 0.216 96 A C 2.274 179.860 177.584 0.004 0.000 1.186 96 A CA 1.851 53.890 52.037 0.003 0.000 0.620 96 A CB -0.631 18.370 19.000 0.003 0.000 0.822 96 A HN 0.493 nan 8.150 nan 0.000 0.443 97 Q N -0.474 119.328 119.800 0.004 0.000 2.014 97 Q HA -0.230 4.110 4.340 0.000 0.000 0.207 97 Q C 2.272 178.275 176.000 0.004 0.000 0.993 97 Q CA 2.137 57.942 55.803 0.004 0.000 0.850 97 Q CB -0.417 28.323 28.738 0.004 0.000 0.916 97 Q HN 0.603 nan 8.270 nan 0.000 0.417 98 A N 1.015 123.838 122.820 0.005 0.000 1.859 98 A HA -0.246 4.074 4.320 0.000 0.000 0.217 98 A C 2.049 179.637 177.584 0.005 0.000 1.198 98 A CA 1.936 53.976 52.037 0.005 0.000 0.629 98 A CB -1.079 17.925 19.000 0.006 0.000 0.830 98 A HN 0.548 nan 8.150 nan 0.000 0.446 99 I N -0.322 120.251 120.570 0.005 0.000 2.194 99 I HA -0.275 3.895 4.170 0.000 0.000 0.246 99 I C 2.370 178.490 176.117 0.005 0.000 1.093 99 I CA 1.550 62.853 61.300 0.005 0.000 1.355 99 I CB -0.545 37.458 38.000 0.005 0.000 1.046 99 I HN 0.191 nan 8.210 nan 0.000 0.413 100 V N 0.574 120.491 119.914 0.005 0.000 2.295 100 V HA -0.287 3.833 4.120 0.000 0.000 0.246 100 V C 2.607 178.704 176.094 0.006 0.000 1.049 100 V CA 1.879 64.182 62.300 0.005 0.000 1.024 100 V CB -0.783 31.043 31.823 0.004 0.000 0.648 100 V HN 0.382 nan 8.190 nan 0.000 0.447 101 R N 0.092 120.596 120.500 0.005 0.000 2.127 101 R HA -0.195 4.145 4.340 0.000 0.000 0.228 101 R C 2.461 178.765 176.300 0.006 0.000 1.125 101 R CA 2.081 58.184 56.100 0.006 0.000 0.904 101 R CB -0.358 29.946 30.300 0.006 0.000 0.831 101 R HN 0.463 nan 8.270 nan 0.000 0.431 102 E N -0.471 119.733 120.200 0.006 0.000 2.130 102 E HA -0.167 4.183 4.350 0.000 0.000 0.196 102 E C 1.872 178.476 176.600 0.007 0.000 0.998 102 E CA 1.406 57.810 56.400 0.006 0.000 0.806 102 E CB -0.594 29.109 29.700 0.006 0.000 0.738 102 E HN 0.637 nan 8.360 nan 0.000 0.459 103 G N 1.395 110.199 108.800 0.007 0.000 2.433 103 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 103 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 103 G C 1.747 176.651 174.900 0.008 0.000 1.186 103 G CA 0.686 45.790 45.100 0.007 0.000 0.779 103 G HN 0.200 nan 8.290 nan 0.000 0.543 104 L N 0.303 121.531 121.223 0.008 0.000 2.083 104 L HA -0.072 4.268 4.340 0.000 0.000 0.209 104 L C 2.815 179.690 176.870 0.009 0.000 1.083 104 L CA 1.552 56.398 54.840 0.009 0.000 0.752 104 L CB -0.387 41.678 42.059 0.009 0.000 0.899 104 L HN 0.282 nan 8.230 nan 0.000 0.433 105 K N 0.488 120.893 120.400 0.008 0.000 2.009 105 K HA -0.204 4.116 4.320 0.000 0.000 0.210 105 K C 1.913 178.518 176.600 0.008 0.000 1.049 105 K CA 1.708 57.999 56.287 0.008 0.000 0.929 105 K CB -0.054 32.450 32.500 0.007 0.000 0.714 105 K HN 0.304 nan 8.250 nan 0.000 0.440 106 N N 0.317 119.022 118.700 0.007 0.000 2.309 106 N HA -0.118 4.622 4.740 0.000 0.000 0.182 106 N C 1.752 177.266 175.510 0.008 0.000 1.018 106 N CA 1.069 54.123 53.050 0.007 0.000 0.876 106 N CB 0.096 38.587 38.487 0.007 0.000 0.972 106 N HN 0.061 nan 8.380 nan 0.000 0.434 107 V N 1.432 121.352 119.914 0.009 0.000 2.453 107 V HA -0.106 4.014 4.120 0.000 0.000 0.247 107 V C 2.321 178.422 176.094 0.011 0.000 1.048 107 V CA 1.535 63.841 62.300 0.010 0.000 1.049 107 V CB -0.600 31.230 31.823 0.011 0.000 0.672 107 V HN 0.247 nan 8.190 nan 0.000 0.457 108 A N -0.283 122.544 122.820 0.010 0.000 2.119 108 A HA 0.198 4.518 4.320 0.000 0.000 0.217 108 A C 2.086 179.676 177.584 0.009 0.000 1.153 108 A CA 1.308 53.351 52.037 0.010 0.000 0.692 108 A CB -0.322 18.684 19.000 0.010 0.000 0.799 108 A HN 0.542 nan 8.150 nan 0.000 0.458 109 A N -1.919 120.906 122.820 0.008 0.000 2.345 109 A HA 0.461 4.781 4.320 0.000 0.000 0.225 109 A C 1.544 179.132 177.584 0.006 0.000 1.243 109 A CA 1.009 53.050 52.037 0.007 0.000 0.875 109 A CB -0.598 18.405 19.000 0.006 0.000 0.929 109 A HN 1.686 nan 8.150 nan 0.000 0.502 110 G N -1.912 106.892 108.800 0.007 0.000 2.179 110 G HA2 0.134 4.094 3.960 0.000 0.000 0.220 110 G HA3 0.134 4.094 3.960 0.000 0.000 0.220 110 G C 0.454 175.358 174.900 0.007 0.000 0.990 110 G CA 0.061 45.165 45.100 0.007 0.000 0.646 110 G HN 1.519 nan 8.290 nan 0.000 0.517 111 A N -0.013 122.811 122.820 0.007 0.000 2.445 111 A HA 0.578 4.898 4.320 0.000 0.000 0.242 111 A C 0.481 178.069 177.584 0.008 0.000 1.075 111 A CA 0.565 52.606 52.037 0.007 0.000 0.777 111 A CB 0.265 19.269 19.000 0.007 0.000 1.013 111 A HN 0.916 nan 8.150 nan 0.000 0.493 112 N N 2.188 120.892 118.700 0.007 0.000 2.442 112 N HA 0.267 5.007 4.740 0.000 0.000 0.265 112 N C -1.909 173.606 175.510 0.008 0.000 1.138 112 N CA -1.753 51.302 53.050 0.008 0.000 0.956 112 N CB 0.920 39.411 38.487 0.007 0.000 1.067 112 N HN 0.193 nan 8.380 nan 0.000 0.474 113 P HA -0.192 nan 4.420 nan 0.000 0.214 113 P C 1.336 178.641 177.300 0.008 0.000 1.163 113 P CA 1.374 64.479 63.100 0.009 0.000 0.889 113 P CB 0.167 31.874 31.700 0.012 0.000 0.790 114 L N -1.104 120.124 121.223 0.008 0.000 2.013 114 L HA -0.235 4.105 4.340 0.000 0.000 0.212 114 L C 2.520 179.394 176.870 0.006 0.000 1.073 114 L CA 1.941 56.785 54.840 0.007 0.000 0.753 114 L CB -1.511 40.552 42.059 0.007 0.000 0.890 114 L HN -0.024 nan 8.230 nan 0.000 0.432 115 A N 0.247 123.071 122.820 0.006 0.000 1.902 115 A HA -0.167 4.153 4.320 0.000 0.000 0.217 115 A C 2.297 179.884 177.584 0.005 0.000 1.181 115 A CA 1.449 53.489 52.037 0.005 0.000 0.623 115 A CB -0.703 18.300 19.000 0.005 0.000 0.818 115 A HN 0.362 nan 8.150 nan 0.000 0.443 116 L N -0.746 120.480 121.223 0.006 0.000 2.042 116 L HA -0.238 4.102 4.340 0.000 0.000 0.210 116 L C 2.643 179.517 176.870 0.005 0.000 1.076 116 L CA 2.071 56.915 54.840 0.006 0.000 0.749 116 L CB -0.455 41.608 42.059 0.006 0.000 0.893 116 L HN 0.510 nan 8.230 nan 0.000 0.432 117 K N 0.563 120.966 120.400 0.005 0.000 1.973 117 K HA -0.209 4.111 4.320 0.000 0.000 0.212 117 K C 2.231 178.833 176.600 0.004 0.000 1.047 117 K CA 1.528 57.818 56.287 0.005 0.000 0.937 117 K CB -0.078 32.425 32.500 0.005 0.000 0.721 117 K HN 0.104 nan 8.250 nan 0.000 0.440 118 R N -0.448 120.054 120.500 0.004 0.000 2.165 118 R HA -0.193 4.147 4.340 0.000 0.000 0.254 118 R C 2.447 178.750 176.300 0.004 0.000 1.153 118 R CA 1.678 57.781 56.100 0.004 0.000 0.971 118 R CB -0.762 29.540 30.300 0.004 0.000 0.878 118 R HN 0.475 nan 8.270 nan 0.000 0.449 119 G N 0.638 109.441 108.800 0.004 0.000 2.408 119 G HA2 -0.129 3.832 3.960 0.000 0.000 0.215 119 G HA3 -0.129 3.832 3.960 0.000 0.000 0.215 119 G C 1.454 176.357 174.900 0.005 0.000 1.156 119 G CA 0.285 45.388 45.100 0.005 0.000 0.793 119 G HN 0.164 nan 8.290 nan 0.000 0.535 120 I N 0.715 121.288 120.570 0.005 0.000 2.286 120 I HA -0.140 4.030 4.170 0.000 0.000 0.248 120 I C 2.695 178.815 176.117 0.005 0.000 1.115 120 I CA 1.070 62.373 61.300 0.005 0.000 1.392 120 I CB -0.226 37.777 38.000 0.005 0.000 1.065 120 I HN 0.281 nan 8.210 nan 0.000 0.418 121 E N 1.304 121.507 120.200 0.004 0.000 2.017 121 E HA -0.220 4.130 4.350 0.000 0.000 0.193 121 E C 2.140 178.742 176.600 0.004 0.000 0.997 121 E CA 1.131 57.533 56.400 0.004 0.000 0.804 121 E CB -0.162 29.540 29.700 0.003 0.000 0.757 121 E HN 0.438 nan 8.360 nan 0.000 0.448 122 K N 0.744 121.146 120.400 0.004 0.000 2.113 122 K HA -0.179 4.141 4.320 0.000 0.000 0.208 122 K C 2.211 178.814 176.600 0.005 0.000 1.047 122 K CA 1.153 57.443 56.287 0.004 0.000 0.928 122 K CB -0.217 32.285 32.500 0.004 0.000 0.716 122 K HN 0.082 nan 8.250 nan 0.000 0.446 123 A N 1.158 123.981 122.820 0.005 0.000 1.858 123 A HA -0.124 4.196 4.320 0.000 0.000 0.216 123 A C 2.440 180.028 177.584 0.006 0.000 1.190 123 A CA 1.423 53.464 52.037 0.006 0.000 0.617 123 A CB -0.753 18.251 19.000 0.006 0.000 0.827 123 A HN 0.063 nan 8.150 nan 0.000 0.443 124 V N 0.211 120.128 119.914 0.006 0.000 2.255 124 V HA -0.330 3.790 4.120 0.000 0.000 0.247 124 V C 2.422 178.519 176.094 0.006 0.000 1.051 124 V CA 2.466 64.770 62.300 0.006 0.000 1.018 124 V CB -0.973 30.852 31.823 0.005 0.000 0.641 124 V HN 0.655 nan 8.190 nan 0.000 0.445 125 E N 0.137 120.340 120.200 0.005 0.000 2.045 125 E HA -0.347 4.003 4.350 0.000 0.000 0.212 125 E C 2.313 178.916 176.600 0.006 0.000 1.039 125 E CA 1.721 58.124 56.400 0.005 0.000 0.860 125 E CB -0.506 29.197 29.700 0.004 0.000 0.776 125 E HN 0.584 nan 8.360 nan 0.000 0.467 126 A N 1.156 123.980 122.820 0.006 0.000 1.958 126 A HA -0.264 4.056 4.320 0.000 0.000 0.221 126 A C 2.336 179.925 177.584 0.008 0.000 1.178 126 A CA 2.271 54.312 52.037 0.007 0.000 0.642 126 A CB -0.788 18.217 19.000 0.007 0.000 0.816 126 A HN 0.364 nan 8.150 nan 0.000 0.453 127 A N -0.811 122.014 122.820 0.008 0.000 1.873 127 A HA 0.055 4.375 4.320 0.000 0.000 0.215 127 A C 2.244 179.833 177.584 0.009 0.000 1.186 127 A CA 1.671 53.713 52.037 0.009 0.000 0.616 127 A CB -0.977 18.028 19.000 0.009 0.000 0.823 127 A HN 0.417 nan 8.150 nan 0.000 0.442 128 V N 0.172 120.091 119.914 0.007 0.000 2.255 128 V HA -0.314 3.806 4.120 0.000 0.000 0.247 128 V C 2.529 178.627 176.094 0.007 0.000 1.051 128 V CA 2.434 64.738 62.300 0.007 0.000 1.018 128 V CB -0.852 30.975 31.823 0.006 0.000 0.641 128 V HN 0.784 nan 8.190 nan 0.000 0.445 129 E N 0.101 120.306 120.200 0.007 0.000 2.171 129 E HA -0.337 4.013 4.350 0.000 0.000 0.197 129 E C 2.114 178.719 176.600 0.009 0.000 0.997 129 E CA 1.813 58.217 56.400 0.007 0.000 0.810 129 E CB -0.042 29.662 29.700 0.007 0.000 0.738 129 E HN 0.506 nan 8.360 nan 0.000 0.467 130 K N 0.527 120.933 120.400 0.010 0.000 2.116 130 K HA -0.024 4.296 4.320 0.000 0.000 0.203 130 K C 1.810 178.417 176.600 0.012 0.000 1.052 130 K CA 1.007 57.301 56.287 0.012 0.000 0.952 130 K CB -0.160 32.348 32.500 0.013 0.000 0.729 130 K HN 0.182 nan 8.250 nan 0.000 0.446 131 I N 0.784 121.361 120.570 0.011 0.000 2.226 131 I HA -0.315 3.855 4.170 0.000 0.000 0.245 131 I C 2.093 178.215 176.117 0.009 0.000 1.100 131 I CA 1.393 62.699 61.300 0.010 0.000 1.374 131 I CB -0.281 37.724 38.000 0.008 0.000 1.057 131 I HN 0.149 nan 8.210 nan 0.000 0.413 132 K N 1.237 121.642 120.400 0.008 0.000 1.978 132 K HA -0.134 4.186 4.320 0.000 0.000 0.214 132 K C 2.148 178.753 176.600 0.009 0.000 1.049 132 K CA 1.657 57.948 56.287 0.008 0.000 0.939 132 K CB -0.437 32.068 32.500 0.007 0.000 0.721 132 K HN 0.278 nan 8.250 nan 0.000 0.441 133 A N 0.782 123.607 122.820 0.009 0.000 2.272 133 A HA -0.112 4.208 4.320 0.000 0.000 0.213 133 A C 1.720 179.311 177.584 0.011 0.000 1.183 133 A CA 1.054 53.097 52.037 0.010 0.000 0.719 133 A CB -0.210 18.796 19.000 0.010 0.000 0.771 133 A HN 0.239 nan 8.150 nan 0.000 0.484 134 L N -2.094 119.136 121.223 0.012 0.000 2.817 134 L HA 0.496 4.836 4.340 0.000 0.000 0.248 134 L C 1.101 177.978 176.870 0.013 0.000 1.133 134 L CA 0.592 55.441 54.840 0.014 0.000 0.935 134 L CB -0.053 42.016 42.059 0.017 0.000 1.266 134 L HN 0.225 nan 8.230 nan 0.000 0.535 135 A N 0.516 123.342 122.820 0.010 0.000 2.440 135 A HA 0.409 4.729 4.320 0.000 0.000 0.251 135 A C -0.000 177.588 177.584 0.007 0.000 1.089 135 A CA -0.132 51.910 52.037 0.008 0.000 0.779 135 A CB -0.343 18.661 19.000 0.006 0.000 1.022 135 A HN 0.250 nan 8.150 nan 0.000 0.492 136 I N 4.252 124.826 120.570 0.006 0.000 2.301 136 I HA 0.204 4.374 4.170 0.000 0.000 0.292 136 I C -2.225 173.894 176.117 0.003 0.000 1.046 136 I CA -1.817 59.487 61.300 0.005 0.000 1.282 136 I CB 1.197 39.200 38.000 0.005 0.000 1.409 136 I HN 0.387 nan 8.210 nan 0.000 0.484 137 P HA 0.091 nan 4.420 nan 0.000 0.271 137 P C -0.648 176.653 177.300 0.001 0.000 1.216 137 P CA -0.102 62.999 63.100 0.003 0.000 0.776 137 P CB 0.899 32.601 31.700 0.004 0.000 0.881 138 V N 4.253 124.167 119.914 0.000 0.000 2.289 138 V HA 0.208 4.328 4.120 0.000 0.000 0.272 138 V C 0.598 176.692 176.094 -0.001 0.000 1.026 138 V CA 0.172 62.472 62.300 -0.001 0.000 0.807 138 V CB 0.489 32.310 31.823 -0.003 0.000 1.044 138 V HN 0.618 nan 8.190 nan 0.000 0.443 139 E N 0.765 120.965 120.200 -0.000 0.000 2.603 139 E HA 0.133 4.483 4.350 0.000 0.000 0.218 139 E C -0.112 176.489 176.600 0.001 0.000 0.878 139 E CA -0.419 55.981 56.400 0.001 0.000 1.348 139 E CB 0.821 30.522 29.700 0.002 0.000 1.318 139 E HN 0.606 nan 8.360 nan 0.000 0.673 140 D N 1.309 121.710 120.400 0.000 0.000 2.372 140 D HA -0.006 4.634 4.640 0.000 0.000 0.243 140 D C 1.169 177.469 176.300 -0.000 0.000 1.297 140 D CA 0.231 54.231 54.000 0.000 0.000 0.958 140 D CB 0.981 41.781 40.800 -0.000 0.000 1.114 140 D HN -0.066 nan 8.370 nan 0.000 0.496 141 R N 0.836 121.335 120.500 -0.001 0.000 2.055 141 R HA -0.047 4.293 4.340 0.000 0.000 0.226 141 R C 1.765 178.064 176.300 -0.003 0.000 1.135 141 R CA 1.508 57.608 56.100 -0.001 0.000 0.959 141 R CB -0.209 30.090 30.300 -0.001 0.000 0.854 141 R HN 0.255 nan 8.270 nan 0.000 0.431 142 K N 0.368 120.766 120.400 -0.003 0.000 2.057 142 K HA -0.062 4.258 4.320 0.000 0.000 0.207 142 K C 2.091 178.688 176.600 -0.005 0.000 1.049 142 K CA 1.421 57.706 56.287 -0.004 0.000 0.931 142 K CB -0.333 32.166 32.500 -0.003 0.000 0.714 142 K HN 0.281 nan 8.250 nan 0.000 0.440 143 A N 2.151 124.969 122.820 -0.003 0.000 1.848 143 A HA -0.236 4.084 4.320 0.000 0.000 0.217 143 A C 2.156 179.737 177.584 -0.006 0.000 1.220 143 A CA 1.848 53.883 52.037 -0.004 0.000 0.645 143 A CB -1.010 17.988 19.000 -0.002 0.000 0.842 143 A HN 0.224 nan 8.150 nan 0.000 0.451 144 I N -0.624 119.943 120.570 -0.006 0.000 2.236 144 I HA -0.331 3.839 4.170 0.000 0.000 0.249 144 I C 2.638 178.748 176.117 -0.011 0.000 1.102 144 I CA 2.085 63.380 61.300 -0.008 0.000 1.365 144 I CB -0.480 37.517 38.000 -0.006 0.000 1.051 144 I HN 0.607 nan 8.210 nan 0.000 0.420 145 E N 1.061 121.254 120.200 -0.011 0.000 2.028 145 E HA -0.222 4.128 4.350 0.000 0.000 0.191 145 E C 2.070 178.661 176.600 -0.015 0.000 0.988 145 E CA 1.195 57.586 56.400 -0.015 0.000 0.799 145 E CB 0.059 29.751 29.700 -0.014 0.000 0.755 145 E HN 0.492 nan 8.360 nan 0.000 0.447 146 E N 0.088 120.281 120.200 -0.011 0.000 2.058 146 E HA -0.206 4.144 4.350 0.000 0.000 0.194 146 E C 2.237 178.831 176.600 -0.009 0.000 0.997 146 E CA 1.462 57.856 56.400 -0.010 0.000 0.801 146 E CB -0.057 29.639 29.700 -0.007 0.000 0.746 146 E HN 0.128 nan 8.360 nan 0.000 0.450 147 V N 1.574 121.482 119.914 -0.010 0.000 2.231 147 V HA -0.345 3.775 4.120 0.000 0.000 0.248 147 V C 2.400 178.489 176.094 -0.009 0.000 1.054 147 V CA 2.155 64.449 62.300 -0.009 0.000 1.015 147 V CB -0.876 30.941 31.823 -0.010 0.000 0.638 147 V HN 0.381 nan 8.190 nan 0.000 0.444 148 A N -0.626 122.186 122.820 -0.013 0.000 1.908 148 A HA -0.256 4.064 4.320 0.000 0.000 0.218 148 A C 2.362 179.941 177.584 -0.010 0.000 1.181 148 A CA 2.608 54.636 52.037 -0.014 0.000 0.627 148 A CB -1.092 17.892 19.000 -0.027 0.000 0.818 148 A HN 0.549 nan 8.150 nan 0.000 0.445 149 T N 0.507 115.053 114.554 -0.013 0.000 2.699 149 T HA -0.159 4.191 4.350 0.000 0.000 0.268 149 T C 1.778 176.483 174.700 0.007 0.000 1.036 149 T CA 1.690 63.785 62.100 -0.009 0.000 1.147 149 T CB -0.458 68.403 68.868 -0.011 0.000 0.862 149 T HN 0.479 nan 8.240 nan 0.000 0.446 150 I N 1.649 122.221 120.570 0.003 0.000 2.162 150 I HA -0.146 4.024 4.170 0.000 0.000 0.238 150 I C 2.695 178.821 176.117 0.014 0.000 1.076 150 I CA 1.301 62.604 61.300 0.005 0.000 1.353 150 I CB -0.648 37.349 38.000 -0.004 0.000 1.063 150 I HN 0.240 nan 8.210 nan 0.000 0.408 151 S N 1.264 116.971 115.700 0.012 0.000 2.488 151 S HA -0.110 4.360 4.470 0.000 0.000 0.246 151 S C 1.806 176.433 174.600 0.045 0.000 0.992 151 S CA 1.070 59.279 58.200 0.016 0.000 0.963 151 S CB -0.428 62.775 63.200 0.005 0.000 0.754 151 S HN 0.534 nan 8.310 nan 0.000 0.519 152 A N 1.382 124.244 122.820 0.070 0.000 2.108 152 A HA 0.350 4.670 4.320 0.000 0.000 0.206 152 A C 0.913 178.591 177.584 0.158 0.000 1.212 152 A CA 0.267 52.400 52.037 0.159 0.000 0.843 152 A CB -0.365 18.730 19.000 0.159 0.000 0.902 152 A HN 0.565 nan 8.150 nan 0.000 0.477 153 N N 0.058 118.811 118.700 0.088 0.000 2.780 153 N HA -0.164 4.576 4.740 0.000 0.000 0.247 153 N C -1.438 174.130 175.510 0.096 0.000 1.076 153 N CA 0.751 53.843 53.050 0.070 0.000 0.688 153 N CB -0.633 37.888 38.487 0.057 0.000 0.957 153 N HN 0.447 nan 8.380 nan 0.000 0.551 154 D N -0.696 119.752 120.400 0.080 0.000 2.369 154 D HA 0.118 4.759 4.640 0.000 0.000 0.212 154 D C -1.988 174.312 176.300 0.001 0.000 1.326 154 D CA -0.926 53.111 54.000 0.062 0.000 0.933 154 D CB 1.477 42.351 40.800 0.124 0.000 1.516 154 D HN 0.027 nan 8.370 nan 0.000 0.557 155 P HA -0.126 nan 4.420 nan 0.000 0.220 155 P C 0.886 178.164 177.300 -0.038 0.000 1.148 155 P CA 1.003 64.093 63.100 -0.017 0.000 0.803 155 P CB 0.860 32.555 31.700 -0.008 0.000 0.782 156 E N 0.111 120.283 120.200 -0.048 0.000 2.008 156 E HA -0.078 4.272 4.350 0.000 0.000 0.191 156 E C 2.197 178.721 176.600 -0.127 0.000 0.986 156 E CA 1.027 57.385 56.400 -0.070 0.000 0.807 156 E CB -0.701 28.963 29.700 -0.060 0.000 0.766 156 E HN 0.014 nan 8.360 nan 0.000 0.450 157 V N 1.508 121.291 119.914 -0.217 0.000 2.568 157 V HA -0.221 3.899 4.120 0.000 0.000 0.253 157 V C 2.319 178.283 176.094 -0.217 0.000 1.072 157 V CA 1.876 63.957 62.300 -0.365 0.000 1.084 157 V CB -1.196 30.175 31.823 -0.752 0.000 0.676 157 V HN 0.421 nan 8.190 nan 0.000 0.469 158 G N -0.288 108.433 108.800 -0.130 0.000 2.421 158 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 158 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 158 G C 1.690 176.551 174.900 -0.066 0.000 1.171 158 G CA 0.651 45.704 45.100 -0.078 0.000 0.775 158 G HN 0.345 nan 8.290 nan 0.000 0.543 159 K N 0.291 120.654 120.400 -0.061 0.000 1.991 159 K HA -0.004 4.316 4.320 0.000 0.000 0.212 159 K C 2.631 179.206 176.600 -0.041 0.000 1.049 159 K CA 0.876 57.138 56.287 -0.041 0.000 0.932 159 K CB -0.926 31.553 32.500 -0.034 0.000 0.717 159 K HN 0.340 nan 8.250 nan 0.000 0.441 160 L N 0.739 121.922 121.223 -0.066 0.000 1.997 160 L HA -0.255 4.085 4.340 0.000 0.000 0.216 160 L C 2.553 179.385 176.870 -0.063 0.000 1.074 160 L CA 1.485 56.288 54.840 -0.063 0.000 0.763 160 L CB -0.633 41.357 42.059 -0.115 0.000 0.890 160 L HN 0.176 nan 8.230 nan 0.000 0.434 161 I N -0.255 120.260 120.570 -0.092 0.000 2.208 161 I HA -0.324 3.847 4.170 0.000 0.000 0.245 161 I C 2.824 178.916 176.117 -0.042 0.000 1.097 161 I CA 1.248 62.502 61.300 -0.077 0.000 1.363 161 I CB -0.542 37.409 38.000 -0.081 0.000 1.051 161 I HN 0.263 nan 8.210 nan 0.000 0.413 162 A N 0.771 123.573 122.820 -0.031 0.000 1.858 162 A HA -0.231 4.089 4.320 0.000 0.000 0.216 162 A C 2.014 179.605 177.584 0.013 0.000 1.190 162 A CA 2.053 54.083 52.037 -0.011 0.000 0.617 162 A CB -0.647 18.346 19.000 -0.011 0.000 0.827 162 A HN 0.360 nan 8.150 nan 0.000 0.443 163 D N 0.255 120.671 120.400 0.027 0.000 2.092 163 D HA -0.126 4.514 4.640 0.000 0.000 0.193 163 D C 2.279 178.660 176.300 0.135 0.000 0.994 163 D CA 1.666 55.713 54.000 0.078 0.000 0.828 163 D CB -0.657 40.201 40.800 0.096 0.000 0.963 163 D HN 0.418 nan 8.370 nan 0.000 0.450 164 A N 1.115 123.982 122.820 0.079 0.000 1.927 164 A HA -0.240 4.080 4.320 0.000 0.000 0.220 164 A C 2.327 179.926 177.584 0.026 0.000 1.185 164 A CA 1.964 54.001 52.037 -0.001 0.000 0.639 164 A CB -0.650 18.271 19.000 -0.132 0.000 0.820 164 A HN 0.191 nan 8.150 nan 0.000 0.451 165 M N -1.290 118.319 119.600 0.014 0.000 2.156 165 M HA -0.110 4.370 4.480 0.000 0.000 0.264 165 M C 2.089 178.414 176.300 0.042 0.000 1.067 165 M CA 1.242 56.550 55.300 0.014 0.000 1.131 165 M CB -0.528 32.071 32.600 -0.001 0.000 1.368 165 M HN 0.387 nan 8.290 nan 0.000 0.416 166 E N 1.130 121.361 120.200 0.051 0.000 2.086 166 E HA -0.227 4.123 4.350 0.000 0.000 0.200 166 E C 1.878 178.518 176.600 0.067 0.000 1.012 166 E CA 1.599 58.029 56.400 0.050 0.000 0.812 166 E CB -0.216 29.511 29.700 0.046 0.000 0.743 166 E HN 0.584 nan 8.360 nan 0.000 0.453 167 K N 0.045 120.521 120.400 0.128 0.000 2.078 167 K HA 0.020 4.340 4.320 0.000 0.000 0.203 167 K C 2.285 178.980 176.600 0.159 0.000 1.043 167 K CA 0.797 57.176 56.287 0.153 0.000 0.960 167 K CB -0.044 32.603 32.500 0.246 0.000 0.761 167 K HN -0.077 nan 8.250 nan 0.000 0.448 168 V N 0.971 120.994 119.914 0.182 0.000 2.626 168 V HA -0.043 4.077 4.120 0.000 0.000 0.252 168 V C 1.076 177.203 176.094 0.054 0.000 1.067 168 V CA 1.086 63.451 62.300 0.108 0.000 1.081 168 V CB -1.218 30.630 31.823 0.043 0.000 0.686 168 V HN 0.653 nan 8.190 nan 0.000 0.468 169 G N -0.056 108.770 108.800 0.044 0.000 2.756 169 G HA2 -0.200 3.761 3.960 0.000 0.000 0.678 169 G HA3 -0.200 3.761 3.960 0.000 0.000 0.678 169 G C 0.259 175.164 174.900 0.009 0.000 1.349 169 G CA 0.086 45.200 45.100 0.024 0.000 0.847 169 G HN 0.198 nan 8.290 nan 0.000 0.548 170 K N 0.216 120.619 120.400 0.004 0.000 1.991 170 K HA -0.093 4.227 4.320 0.000 0.000 0.212 170 K C 1.862 178.456 176.600 -0.009 0.000 1.049 170 K CA 1.957 58.242 56.287 -0.003 0.000 0.932 170 K CB -0.095 32.404 32.500 -0.001 0.000 0.717 170 K HN 0.628 nan 8.250 nan 0.000 0.441 171 E N 0.795 120.991 120.200 -0.008 0.000 2.403 171 E HA 0.045 4.395 4.350 0.000 0.000 0.187 171 E C 0.640 177.227 176.600 -0.020 0.000 1.073 171 E CA -0.456 55.935 56.400 -0.016 0.000 0.888 171 E CB 0.400 30.092 29.700 -0.014 0.000 1.035 171 E HN 0.277 nan 8.360 nan 0.000 0.471 172 G N 0.878 109.669 108.800 -0.015 0.000 2.535 172 G HA2 0.442 4.402 3.960 0.000 0.000 0.282 172 G HA3 0.442 4.402 3.960 0.000 0.000 0.282 172 G C -0.138 174.740 174.900 -0.037 0.000 1.350 172 G CA -0.587 44.504 45.100 -0.015 0.000 1.039 172 G HN 0.054 nan 8.290 nan 0.000 0.509 173 I N 0.197 120.742 120.570 -0.042 0.000 2.406 173 I HA 0.432 4.602 4.170 0.000 0.000 0.290 173 I C -0.568 175.500 176.117 -0.082 0.000 0.999 173 I CA -0.285 60.977 61.300 -0.063 0.000 1.124 173 I CB 1.751 39.715 38.000 -0.060 0.000 1.289 173 I HN 0.143 nan 8.210 nan 0.000 0.441 174 I N 4.805 125.324 120.570 -0.086 0.000 2.686 174 I HA 0.531 4.701 4.170 0.000 0.000 0.295 174 I C -0.682 175.383 176.117 -0.086 0.000 1.114 174 I CA -0.353 60.882 61.300 -0.108 0.000 1.038 174 I CB 2.633 40.572 38.000 -0.100 0.000 1.238 174 I HN 0.479 nan 8.210 nan 0.000 0.420 175 T N 3.608 118.108 114.554 -0.090 0.000 2.868 175 T HA 0.504 4.854 4.350 0.000 0.000 0.306 175 T C -0.961 173.710 174.700 -0.048 0.000 1.224 175 T CA -0.571 61.493 62.100 -0.060 0.000 1.012 175 T CB 2.645 71.484 68.868 -0.048 0.000 1.221 175 T HN 0.189 nan 8.240 nan 0.000 0.499 176 V N 2.593 122.497 119.914 -0.018 0.000 2.384 176 V HA 0.517 4.637 4.120 0.000 0.000 0.287 176 V C -0.531 175.575 176.094 0.020 0.000 1.020 176 V CA -0.725 61.583 62.300 0.014 0.000 0.850 176 V CB 1.501 33.358 31.823 0.056 0.000 0.987 176 V HN 0.739 nan 8.190 nan 0.000 0.436 177 E N 2.890 123.102 120.200 0.020 0.000 2.227 177 E HA 0.436 4.786 4.350 0.000 0.000 0.268 177 E C -0.661 175.959 176.600 0.034 0.000 0.907 177 E CA -0.941 55.471 56.400 0.020 0.000 0.786 177 E CB 2.193 31.896 29.700 0.005 0.000 1.191 177 E HN 0.610 nan 8.360 nan 0.000 0.411 178 E N 0.935 121.152 120.200 0.029 0.000 1.791 178 E HA 0.099 4.450 4.350 0.000 0.000 0.263 178 E C 0.164 176.779 176.600 0.024 0.000 1.213 178 E CA -0.017 56.401 56.400 0.030 0.000 0.991 178 E CB 0.406 30.118 29.700 0.021 0.000 1.068 178 E HN 0.264 nan 8.360 nan 0.000 0.417 179 S N 2.534 118.253 115.700 0.031 0.000 2.611 179 S HA 0.011 4.481 4.470 0.000 0.000 0.252 179 S C 0.916 175.528 174.600 0.019 0.000 1.369 179 S CA 0.099 58.313 58.200 0.024 0.000 0.975 179 S CB 0.627 63.844 63.200 0.029 0.000 0.937 179 S HN 0.504 nan 8.310 nan 0.000 0.584 180 K N 0.141 120.550 120.400 0.015 0.000 2.399 180 K HA 0.143 4.463 4.320 0.000 0.000 0.196 180 K C 0.588 177.196 176.600 0.014 0.000 1.103 180 K CA 0.096 56.390 56.287 0.012 0.000 0.986 180 K CB 0.235 32.739 32.500 0.007 0.000 0.952 180 K HN 0.646 nan 8.250 nan 0.000 0.541 181 S N 0.861 116.571 115.700 0.016 0.000 2.593 181 S HA 0.165 4.635 4.470 0.000 0.000 0.269 181 S C 0.899 175.512 174.600 0.023 0.000 1.334 181 S CA -0.535 57.675 58.200 0.017 0.000 1.015 181 S CB 0.574 63.784 63.200 0.017 0.000 0.912 181 S HN 0.153 nan 8.310 nan 0.000 0.541 182 L N 0.302 121.538 121.223 0.021 0.000 2.645 182 L HA 0.317 4.657 4.340 0.000 0.000 0.234 182 L C 0.564 177.453 176.870 0.032 0.000 1.165 182 L CA 0.318 55.173 54.840 0.025 0.000 0.944 182 L CB -0.843 41.227 42.059 0.019 0.000 1.149 182 L HN 0.708 nan 8.230 nan 0.000 0.446 183 E N -0.377 119.842 120.200 0.032 0.000 2.288 183 E HA 0.368 4.719 4.350 0.000 0.000 0.268 183 E C -0.749 175.873 176.600 0.036 0.000 0.885 183 E CA -0.560 55.859 56.400 0.032 0.000 0.767 183 E CB 2.298 32.011 29.700 0.021 0.000 1.220 183 E HN -0.118 nan 8.360 nan 0.000 0.427 184 T N 2.512 117.087 114.554 0.035 0.000 2.767 184 T HA 0.319 4.669 4.350 0.000 0.000 0.288 184 T C -0.513 174.181 174.700 -0.010 0.000 0.963 184 T CA -0.469 61.643 62.100 0.021 0.000 1.019 184 T CB 0.665 69.539 68.868 0.010 0.000 0.923 184 T HN 0.366 nan 8.240 nan 0.000 0.468 185 E N 1.442 121.637 120.200 -0.009 0.000 2.410 185 E HA 0.651 5.001 4.350 0.000 0.000 0.269 185 E C -1.421 175.169 176.600 -0.016 0.000 0.937 185 E CA -1.119 55.276 56.400 -0.007 0.000 0.793 185 E CB 1.907 31.613 29.700 0.010 0.000 1.314 185 E HN 0.271 nan 8.360 nan 0.000 0.447 186 L N 1.142 122.369 121.223 0.007 0.000 2.325 186 L HA 0.492 4.832 4.340 0.000 0.000 0.281 186 L C -1.550 175.368 176.870 0.081 0.000 1.004 186 L CA -0.222 54.620 54.840 0.004 0.000 0.823 186 L CB 0.796 42.875 42.059 0.033 0.000 1.236 186 L HN 0.430 nan 8.230 nan 0.000 0.415 187 K N 5.058 125.472 120.400 0.023 0.000 2.378 187 K HA 0.504 4.824 4.320 0.000 0.000 0.252 187 K C -1.430 175.207 176.600 0.062 0.000 0.931 187 K CA -0.377 55.984 56.287 0.122 0.000 0.794 187 K CB 1.946 34.482 32.500 0.060 0.000 1.181 187 K HN 0.310 nan 8.250 nan 0.000 0.425 188 F N 2.384 122.331 119.950 -0.005 0.000 2.359 188 F HA 0.181 4.709 4.527 0.000 0.000 0.355 188 F C 0.505 176.306 175.800 0.002 0.000 1.132 188 F CA -0.782 57.217 58.000 -0.002 0.000 1.246 188 F CB 0.037 39.035 39.000 -0.003 0.000 1.569 188 F HN 0.183 nan 8.300 nan 0.000 0.561 189 V N 0.149 120.118 119.914 0.091 0.000 4.089 189 V HA 0.281 4.401 4.120 0.000 0.000 0.267 189 V C 0.200 176.334 176.094 0.067 0.000 0.997 189 V CA -0.521 61.819 62.300 0.067 0.000 0.788 189 V CB 0.771 32.612 31.823 0.029 0.000 1.175 189 V HN 0.237 nan 8.190 nan 0.000 0.383 190 E N -0.811 119.418 120.200 0.048 0.000 2.212 190 E HA 0.719 5.069 4.350 0.000 0.000 0.268 190 E C -0.037 176.594 176.600 0.052 0.000 0.902 190 E CA 0.487 56.918 56.400 0.050 0.000 0.779 190 E CB 1.515 31.238 29.700 0.038 0.000 1.172 190 E HN 0.946 nan 8.360 nan 0.000 0.409 191 G N 0.653 109.500 108.800 0.078 0.000 2.323 191 G HA2 0.332 4.292 3.960 0.000 0.000 0.291 191 G HA3 0.332 4.292 3.960 0.000 0.000 0.291 191 G C -2.059 172.973 174.900 0.220 0.000 1.278 191 G CA -0.553 44.613 45.100 0.111 0.000 0.860 191 G HN 0.306 nan 8.290 nan 0.000 0.504 192 Y N -0.414 119.909 120.300 0.038 0.000 2.744 192 Y HA 0.789 5.339 4.550 0.000 0.000 0.330 192 Y C -1.053 174.910 175.900 0.105 0.000 1.263 192 Y CA -0.604 57.531 58.100 0.059 0.000 1.065 192 Y CB 2.390 40.880 38.460 0.051 0.000 1.306 192 Y HN 0.801 nan 8.280 nan 0.000 0.459 193 Q N 2.877 122.579 119.800 -0.163 0.000 2.430 193 Q HA 0.444 4.784 4.340 0.000 0.000 0.253 193 Q C -2.172 173.797 176.000 -0.052 0.000 0.945 193 Q CA -0.505 55.280 55.803 -0.029 0.000 0.964 193 Q CB 1.634 30.314 28.738 -0.096 0.000 1.460 193 Q HN 0.580 nan 8.270 nan 0.000 0.428 194 F N 0.074 119.933 119.950 -0.152 0.000 2.603 194 F HA 0.622 5.149 4.527 0.000 0.000 0.317 194 F C -0.463 175.292 175.800 -0.075 0.000 1.066 194 F CA -1.153 56.775 58.000 -0.121 0.000 0.941 194 F CB 1.328 40.305 39.000 -0.039 0.000 1.291 194 F HN 0.224 nan 8.300 nan 0.000 0.472 195 D N 2.706 123.089 120.400 -0.029 0.000 2.558 195 D HA 0.290 4.930 4.640 0.000 0.000 0.221 195 D C -0.617 175.619 176.300 -0.107 0.000 1.143 195 D CA 0.286 54.226 54.000 -0.100 0.000 1.010 195 D CB 0.658 41.452 40.800 -0.011 0.000 1.068 195 D HN 0.293 nan 8.370 nan 0.000 0.511 196 K N 0.007 120.231 120.400 -0.294 0.000 2.557 196 K HA 0.633 4.953 4.320 0.000 0.000 0.261 196 K C -0.191 176.220 176.600 -0.314 0.000 0.932 196 K CA -0.722 55.444 56.287 -0.203 0.000 0.829 196 K CB 2.342 34.827 32.500 -0.027 0.000 1.358 196 K HN 0.263 nan 8.250 nan 0.000 0.430 197 G N 0.268 108.942 108.800 -0.209 0.000 3.140 197 G HA2 0.466 4.426 3.960 0.000 0.000 0.271 197 G HA3 0.466 4.426 3.960 0.000 0.000 0.271 197 G C -1.124 173.708 174.900 -0.113 0.000 1.370 197 G CA -0.740 44.195 45.100 -0.276 0.000 1.014 197 G HN 0.486 nan 8.290 nan 0.000 0.541 198 Y N -0.235 120.113 120.300 0.081 0.000 2.802 198 Y HA 0.191 4.741 4.550 0.000 0.000 0.333 198 Y C 1.413 177.428 175.900 0.192 0.000 1.244 198 Y CA -0.901 57.323 58.100 0.206 0.000 1.558 198 Y CB -0.152 38.472 38.460 0.274 0.000 1.233 198 Y HN 0.276 nan 8.280 nan 0.000 0.547 199 I N 1.503 122.334 120.570 0.435 0.000 2.567 199 I HA -0.181 3.989 4.170 0.000 0.000 0.257 199 I C 0.962 177.200 176.117 0.202 0.000 1.184 199 I CA 1.499 62.971 61.300 0.287 0.000 1.451 199 I CB -0.141 38.033 38.000 0.291 0.000 1.089 199 I HN 0.684 nan 8.210 nan 0.000 0.441 200 S N -0.015 115.772 115.700 0.145 0.000 2.619 200 S HA 0.344 4.814 4.470 0.000 0.000 0.280 200 S C -2.004 172.512 174.600 -0.139 0.000 1.150 200 S CA -1.320 56.809 58.200 -0.117 0.000 0.978 200 S CB 1.715 64.576 63.200 -0.565 0.000 1.041 200 S HN -0.144 nan 8.310 nan 0.000 0.485 201 P HA -0.050 nan 4.420 nan 0.000 0.231 201 P C 0.438 177.455 177.300 -0.471 0.000 1.158 201 P CA 0.716 63.607 63.100 -0.350 0.000 0.763 201 P CB -0.174 31.452 31.700 -0.125 0.000 0.805 202 Y N -1.601 118.436 120.300 -0.439 0.000 2.561 202 Y HA 0.102 4.652 4.550 0.000 0.000 0.291 202 Y C 2.138 177.900 175.900 -0.229 0.000 1.141 202 Y CA 0.537 58.435 58.100 -0.336 0.000 1.303 202 Y CB -1.079 37.182 38.460 -0.332 0.000 1.015 202 Y HN -0.086 nan 8.280 nan 0.000 0.547 203 F N -1.202 118.691 119.950 -0.095 0.000 2.748 203 F HA 0.017 4.544 4.527 0.000 0.000 0.299 203 F C 0.806 176.498 175.800 -0.179 0.000 1.154 203 F CA -0.474 57.469 58.000 -0.094 0.000 1.446 203 F CB 0.021 39.003 39.000 -0.031 0.000 1.112 203 F HN -0.311 nan 8.300 nan 0.000 0.584 204 V N 1.074 120.876 119.914 -0.187 0.000 2.694 204 V HA -0.128 3.992 4.120 0.000 0.000 0.306 204 V C 1.099 177.156 176.094 -0.062 0.000 1.054 204 V CA 0.862 63.044 62.300 -0.196 0.000 1.161 204 V CB 1.072 32.715 31.823 -0.300 0.000 0.916 204 V HN 0.248 nan 8.190 nan 0.000 0.490 205 T N 2.841 117.384 114.554 -0.019 0.000 2.901 205 T HA -0.003 4.348 4.350 0.000 0.000 0.252 205 T C 0.942 175.630 174.700 -0.019 0.000 1.035 205 T CA 0.543 62.640 62.100 -0.004 0.000 1.142 205 T CB -0.063 68.813 68.868 0.014 0.000 0.869 205 T HN 0.616 nan 8.240 nan 0.000 0.442 206 N N 1.523 120.213 118.700 -0.016 0.000 2.469 206 N HA 0.218 4.958 4.740 0.000 0.000 0.253 206 N C -2.423 173.063 175.510 -0.039 0.000 0.970 206 N CA -2.065 50.972 53.050 -0.023 0.000 0.940 206 N CB 2.164 40.647 38.487 -0.008 0.000 1.128 206 N HN -0.093 nan 8.380 nan 0.000 0.503 207 P HA -0.095 nan 4.420 nan 0.000 0.215 207 P C 0.647 177.910 177.300 -0.061 0.000 1.153 207 P CA 1.361 64.417 63.100 -0.072 0.000 0.853 207 P CB 0.586 32.239 31.700 -0.077 0.000 0.788 208 E N -0.739 119.424 120.200 -0.062 0.000 2.007 208 E HA -0.154 4.196 4.350 0.000 0.000 0.194 208 E C 1.987 178.542 176.600 -0.076 0.000 0.999 208 E CA 2.035 58.387 56.400 -0.080 0.000 0.811 208 E CB -0.987 28.655 29.700 -0.097 0.000 0.762 208 E HN 0.334 nan 8.360 nan 0.000 0.450 209 T N -0.906 113.620 114.554 -0.047 0.000 3.072 209 T HA -0.073 4.277 4.350 0.000 0.000 0.266 209 T C 1.084 175.819 174.700 0.058 0.000 1.127 209 T CA 0.389 62.498 62.100 0.014 0.000 1.107 209 T CB 0.005 68.908 68.868 0.058 0.000 0.910 209 T HN 0.058 nan 8.240 nan 0.000 0.513 210 M N 1.019 120.642 119.600 0.037 0.000 2.461 210 M HA -0.142 4.338 4.480 0.000 0.000 0.203 210 M C -0.492 175.920 176.300 0.188 0.000 0.428 210 M CA 0.772 56.120 55.300 0.080 0.000 0.509 210 M CB -2.252 30.414 32.600 0.110 0.000 1.851 210 M HN 0.627 nan 8.290 nan 0.000 0.834 211 E N -0.416 119.863 120.200 0.132 0.000 2.299 211 E HA 0.789 5.139 4.350 0.000 0.000 0.260 211 E C -0.030 176.645 176.600 0.125 0.000 0.944 211 E CA -0.566 55.944 56.400 0.183 0.000 0.815 211 E CB 1.737 31.504 29.700 0.112 0.000 1.252 211 E HN 0.363 nan 8.360 nan 0.000 0.418 212 A N 1.493 124.411 122.820 0.163 0.000 2.360 212 A HA 0.439 4.759 4.320 0.000 0.000 0.309 212 A C -0.899 176.733 177.584 0.080 0.000 1.311 212 A CA -0.546 51.557 52.037 0.110 0.000 0.805 212 A CB 0.409 19.512 19.000 0.171 0.000 1.144 212 A HN 0.269 nan 8.150 nan 0.000 0.486 213 V N 4.269 124.212 119.914 0.048 0.000 2.370 213 V HA 0.404 4.524 4.120 0.000 0.000 0.279 213 V C -0.235 175.872 176.094 0.020 0.000 1.029 213 V CA -0.128 62.192 62.300 0.032 0.000 0.870 213 V CB 0.973 32.811 31.823 0.025 0.000 0.984 213 V HN 0.734 nan 8.190 nan 0.000 0.451 214 L N 5.100 126.332 121.223 0.014 0.000 2.333 214 L HA 0.628 4.968 4.340 0.000 0.000 0.280 214 L C -0.117 176.748 176.870 -0.008 0.000 1.004 214 L CA -0.442 54.399 54.840 0.002 0.000 0.820 214 L CB 1.987 44.046 42.059 0.000 0.000 1.247 214 L HN 0.562 nan 8.230 nan 0.000 0.416 215 E N 2.786 122.976 120.200 -0.017 0.000 2.171 215 E HA 0.184 4.534 4.350 0.000 0.000 0.271 215 E C -1.077 175.489 176.600 -0.056 0.000 0.916 215 E CA -0.683 55.700 56.400 -0.029 0.000 0.774 215 E CB 1.432 31.120 29.700 -0.019 0.000 1.128 215 E HN 0.494 nan 8.360 nan 0.000 0.403 216 D N 1.576 121.927 120.400 -0.081 0.000 2.812 216 D HA -0.183 4.457 4.640 0.000 0.000 0.237 216 D C -1.125 175.042 176.300 -0.221 0.000 1.162 216 D CA 0.871 54.785 54.000 -0.142 0.000 0.740 216 D CB -0.560 40.169 40.800 -0.118 0.000 1.000 216 D HN 0.480 nan 8.370 nan 0.000 0.416 217 A N 0.495 123.190 122.820 -0.210 0.000 2.322 217 A HA 0.767 5.087 4.320 0.000 0.000 0.327 217 A C -0.178 177.222 177.584 -0.307 0.000 1.134 217 A CA -0.621 51.288 52.037 -0.215 0.000 0.831 217 A CB 0.936 19.903 19.000 -0.054 0.000 1.288 217 A HN 0.090 nan 8.150 nan 0.000 0.472 218 F N -0.185 119.765 119.950 0.000 0.000 2.375 218 F HA 0.489 5.016 4.527 0.000 0.000 0.333 218 F C 0.452 176.253 175.800 0.001 0.000 1.104 218 F CA -0.008 57.992 58.000 0.001 0.000 1.149 218 F CB 1.170 40.169 39.000 -0.001 0.000 1.190 218 F HN 0.237 nan 8.300 nan 0.000 0.533 219 I N 4.427 125.103 120.570 0.177 0.000 2.557 219 I HA 0.131 4.301 4.170 0.000 0.000 0.277 219 I C -0.798 175.373 176.117 0.089 0.000 1.106 219 I CA -0.740 60.622 61.300 0.102 0.000 1.180 219 I CB 0.873 38.911 38.000 0.062 0.000 1.392 219 I HN 0.319 nan 8.210 nan 0.000 0.506 220 L N 7.735 129.009 121.223 0.085 0.000 2.623 220 L HA 0.213 4.553 4.340 0.000 0.000 0.281 220 L C -0.092 176.800 176.870 0.037 0.000 1.150 220 L CA 0.675 55.549 54.840 0.056 0.000 0.965 220 L CB -0.425 41.659 42.059 0.041 0.000 1.303 220 L HN 0.353 nan 8.230 nan 0.000 0.467 221 I N 6.258 126.844 120.570 0.026 0.000 2.269 221 I HA 0.197 4.367 4.170 0.000 0.000 0.293 221 I C 0.050 176.174 176.117 0.010 0.000 1.106 221 I CA -0.369 60.931 61.300 0.001 0.000 1.248 221 I CB 0.406 38.389 38.000 -0.029 0.000 1.444 221 I HN 0.317 nan 8.210 nan 0.000 0.497 222 V N 5.734 125.656 119.914 0.013 0.000 3.109 222 V HA 0.257 4.377 4.120 0.000 0.000 0.317 222 V C 0.908 177.006 176.094 0.008 0.000 1.074 222 V CA -0.329 61.984 62.300 0.020 0.000 1.033 222 V CB 2.055 33.891 31.823 0.021 0.000 1.111 222 V HN 0.798 nan 8.190 nan 0.000 0.458 223 E N -0.049 120.160 120.200 0.014 0.000 2.639 223 E HA 0.199 4.549 4.350 0.000 0.000 0.225 223 E C 0.556 177.164 176.600 0.013 0.000 0.921 223 E CA -0.164 56.241 56.400 0.008 0.000 1.184 223 E CB 0.656 30.362 29.700 0.010 0.000 1.160 223 E HN 0.616 nan 8.360 nan 0.000 0.547 224 K N 0.812 121.221 120.400 0.015 0.000 2.210 224 K HA 0.288 4.608 4.320 0.000 0.000 0.236 224 K C -0.611 175.999 176.600 0.017 0.000 1.016 224 K CA -0.611 55.684 56.287 0.013 0.000 0.913 224 K CB 1.115 33.618 32.500 0.005 0.000 1.141 224 K HN -0.216 nan 8.250 nan 0.000 0.462 225 K N 2.068 122.479 120.400 0.018 0.000 2.219 225 K HA 0.156 4.476 4.320 0.000 0.000 0.280 225 K C -0.884 175.727 176.600 0.019 0.000 1.104 225 K CA -0.354 55.948 56.287 0.024 0.000 0.925 225 K CB 0.905 33.420 32.500 0.026 0.000 1.261 225 K HN 0.286 nan 8.250 nan 0.000 0.445 226 V N 3.535 123.462 119.914 0.022 0.000 2.390 226 V HA -0.063 4.057 4.120 0.000 0.000 0.260 226 V C 1.175 177.282 176.094 0.023 0.000 1.043 226 V CA 0.509 62.819 62.300 0.017 0.000 1.047 226 V CB 0.129 31.963 31.823 0.019 0.000 1.066 226 V HN 0.805 nan 8.190 nan 0.000 0.481 227 S N 2.224 117.932 115.700 0.014 0.000 2.604 227 S HA 0.170 4.640 4.470 0.000 0.000 0.235 227 S C 0.436 175.040 174.600 0.008 0.000 1.043 227 S CA -0.404 57.805 58.200 0.015 0.000 0.997 227 S CB 0.057 63.266 63.200 0.015 0.000 0.956 227 S HN 0.620 nan 8.310 nan 0.000 0.535 228 N N 0.724 119.424 118.700 0.000 0.000 2.430 228 N HA 0.473 5.213 4.740 0.000 0.000 0.292 228 N C 0.810 176.316 175.510 -0.007 0.000 1.051 228 N CA -0.424 52.623 53.050 -0.005 0.000 0.917 228 N CB 1.768 40.247 38.487 -0.013 0.000 1.164 228 N HN -0.099 nan 8.380 nan 0.000 0.484 229 V N 3.014 122.925 119.914 -0.006 0.000 2.379 229 V HA -0.110 4.011 4.120 0.000 0.000 0.245 229 V C 2.341 178.426 176.094 -0.014 0.000 1.044 229 V CA 1.331 63.628 62.300 -0.006 0.000 1.036 229 V CB -0.657 31.163 31.823 -0.005 0.000 0.664 229 V HN 0.659 nan 8.190 nan 0.000 0.453 230 R N 1.757 122.247 120.500 -0.018 0.000 2.103 230 R HA -0.220 4.120 4.340 0.000 0.000 0.242 230 R C 2.121 178.400 176.300 -0.034 0.000 1.142 230 R CA 2.240 58.326 56.100 -0.024 0.000 0.960 230 R CB -0.623 29.662 30.300 -0.024 0.000 0.858 230 R HN 0.800 nan 8.270 nan 0.000 0.439 231 E N -0.846 119.331 120.200 -0.038 0.000 2.511 231 E HA -0.076 4.274 4.350 0.000 0.000 0.196 231 E C 1.706 178.275 176.600 -0.052 0.000 1.066 231 E CA 0.586 56.953 56.400 -0.056 0.000 0.871 231 E CB -0.082 29.581 29.700 -0.061 0.000 0.863 231 E HN 0.449 nan 8.360 nan 0.000 0.520 232 L N -0.162 121.040 121.223 -0.034 0.000 2.547 232 L HA 0.194 4.534 4.340 0.000 0.000 0.218 232 L C 2.023 178.877 176.870 -0.026 0.000 1.048 232 L CA 0.032 54.856 54.840 -0.027 0.000 0.859 232 L CB 0.130 42.182 42.059 -0.012 0.000 1.128 232 L HN 0.153 nan 8.230 nan 0.000 0.483 233 L N 1.218 122.427 121.223 -0.023 0.000 2.051 233 L HA -0.198 4.142 4.340 0.000 0.000 0.214 233 L C -0.430 176.424 176.870 -0.027 0.000 1.076 233 L CA 1.880 56.707 54.840 -0.021 0.000 0.758 233 L CB -1.783 40.265 42.059 -0.018 0.000 0.890 233 L HN 0.291 nan 8.230 nan 0.000 0.433 234 P HA -0.228 nan 4.420 nan 0.000 0.213 234 P C 1.750 179.025 177.300 -0.041 0.000 1.170 234 P CA 1.878 64.957 63.100 -0.036 0.000 0.902 234 P CB -0.057 31.618 31.700 -0.041 0.000 0.789 235 I N -1.318 119.225 120.570 -0.044 0.000 2.315 235 I HA -0.199 3.971 4.170 0.000 0.000 0.248 235 I C 2.597 178.677 176.117 -0.062 0.000 1.117 235 I CA 0.781 62.047 61.300 -0.056 0.000 1.404 235 I CB -0.745 37.229 38.000 -0.044 0.000 1.071 235 I HN -0.131 nan 8.210 nan 0.000 0.419 236 L N 0.656 121.855 121.223 -0.041 0.000 2.131 236 L HA -0.196 4.144 4.340 0.000 0.000 0.210 236 L C 2.457 179.307 176.870 -0.033 0.000 1.092 236 L CA 1.850 56.671 54.840 -0.031 0.000 0.759 236 L CB -0.585 41.464 42.059 -0.017 0.000 0.903 236 L HN 0.215 nan 8.230 nan 0.000 0.435 237 E N -1.039 119.139 120.200 -0.036 0.000 2.033 237 E HA -0.197 4.153 4.350 0.000 0.000 0.189 237 E C 2.055 178.627 176.600 -0.046 0.000 0.979 237 E CA 1.073 57.453 56.400 -0.032 0.000 0.802 237 E CB -0.127 29.556 29.700 -0.028 0.000 0.763 237 E HN 0.643 nan 8.360 nan 0.000 0.449 238 Q N 0.584 120.344 119.800 -0.067 0.000 2.045 238 Q HA -0.156 4.185 4.340 0.000 0.000 0.206 238 Q C 2.393 178.316 176.000 -0.129 0.000 0.991 238 Q CA 1.719 57.465 55.803 -0.095 0.000 0.851 238 Q CB -0.252 28.414 28.738 -0.120 0.000 0.911 238 Q HN 0.109 nan 8.270 nan 0.000 0.418 239 V N 1.013 120.831 119.914 -0.160 0.000 2.515 239 V HA -0.255 3.865 4.120 0.000 0.000 0.250 239 V C 2.276 178.352 176.094 -0.030 0.000 1.058 239 V CA 1.565 63.766 62.300 -0.165 0.000 1.064 239 V CB -1.077 30.666 31.823 -0.133 0.000 0.675 239 V HN 0.401 nan 8.190 nan 0.000 0.461 240 A N -0.398 122.409 122.820 -0.022 0.000 1.908 240 A HA -0.287 4.033 4.320 0.000 0.000 0.218 240 A C 2.145 179.736 177.584 0.012 0.000 1.181 240 A CA 1.858 53.898 52.037 0.004 0.000 0.627 240 A CB -0.466 18.533 19.000 -0.002 0.000 0.818 240 A HN 0.623 nan 8.150 nan 0.000 0.445 241 Q N -0.857 118.942 119.800 -0.002 0.000 2.472 241 Q HA -0.035 4.305 4.340 0.000 0.000 0.208 241 Q C 1.452 177.465 176.000 0.023 0.000 0.958 241 Q CA 1.178 56.984 55.803 0.006 0.000 0.932 241 Q CB -0.147 28.587 28.738 -0.006 0.000 1.007 241 Q HN 0.661 nan 8.270 nan 0.000 0.508 242 T N -0.867 113.710 114.554 0.039 0.000 3.023 242 T HA 0.025 4.376 4.350 0.000 0.000 0.266 242 T C 1.402 176.168 174.700 0.110 0.000 1.093 242 T CA 0.902 63.061 62.100 0.099 0.000 1.129 242 T CB 0.065 69.051 68.868 0.196 0.000 0.899 242 T HN 0.594 nan 8.240 nan 0.000 0.491 243 G N 1.605 110.455 108.800 0.084 0.000 2.184 243 G HA2 -0.271 3.690 3.960 0.000 0.000 0.264 243 G HA3 -0.271 3.690 3.960 0.000 0.000 0.264 243 G C 0.139 175.085 174.900 0.078 0.000 0.975 243 G CA 0.256 45.396 45.100 0.066 0.000 0.642 243 G HN 0.477 nan 8.290 nan 0.000 0.536 244 K N 1.297 121.777 120.400 0.134 0.000 2.095 244 K HA 0.516 4.836 4.320 0.000 0.000 0.252 244 K C -2.071 174.609 176.600 0.133 0.000 0.977 244 K CA -1.670 54.691 56.287 0.123 0.000 0.900 244 K CB 1.710 34.297 32.500 0.146 0.000 1.060 244 K HN 0.099 nan 8.250 nan 0.000 0.449 245 P HA 0.182 nan 4.420 nan 0.000 0.276 245 P C -1.270 176.093 177.300 0.105 0.000 1.261 245 P CA -0.530 62.606 63.100 0.060 0.000 0.800 245 P CB 0.735 32.445 31.700 0.016 0.000 1.066 246 L N 1.406 122.670 121.223 0.068 0.000 2.436 246 L HA 0.535 4.875 4.340 0.000 0.000 0.268 246 L C -1.582 175.294 176.870 0.010 0.000 0.974 246 L CA -0.960 53.930 54.840 0.084 0.000 0.826 246 L CB 1.769 43.877 42.059 0.083 0.000 1.291 246 L HN 0.162 nan 8.230 nan 0.000 0.406 247 L N 6.183 127.425 121.223 0.032 0.000 2.280 247 L HA 0.636 4.976 4.340 0.000 0.000 0.287 247 L C -1.124 175.759 176.870 0.023 0.000 1.023 247 L CA -0.040 54.806 54.840 0.009 0.000 0.819 247 L CB 0.938 43.023 42.059 0.043 0.000 1.212 247 L HN 0.572 nan 8.230 nan 0.000 0.420 248 I N 6.437 127.000 120.570 -0.011 0.000 2.353 248 I HA 0.313 4.483 4.170 0.000 0.000 0.293 248 I C 0.029 176.177 176.117 0.051 0.000 0.992 248 I CA -0.187 61.121 61.300 0.012 0.000 1.268 248 I CB 1.308 39.301 38.000 -0.012 0.000 1.387 248 I HN 0.583 nan 8.210 nan 0.000 0.478 249 I N 6.318 126.922 120.570 0.056 0.000 2.976 249 I HA 0.313 4.483 4.170 0.000 0.000 0.328 249 I C 0.629 176.766 176.117 0.034 0.000 1.396 249 I CA -0.122 61.221 61.300 0.072 0.000 0.869 249 I CB 0.510 38.536 38.000 0.044 0.000 2.156 249 I HN 0.609 nan 8.210 nan 0.000 0.595 250 A N 1.612 124.459 122.820 0.045 0.000 2.267 250 A HA 0.238 4.558 4.320 0.000 0.000 0.271 250 A C 1.428 179.033 177.584 0.036 0.000 1.131 250 A CA -0.175 51.881 52.037 0.032 0.000 0.818 250 A CB 0.381 19.404 19.000 0.037 0.000 1.118 250 A HN 0.686 nan 8.150 nan 0.000 0.501 251 E N -0.918 119.298 120.200 0.027 0.000 2.347 251 E HA 0.020 4.370 4.350 0.000 0.000 0.196 251 E C -0.282 176.348 176.600 0.051 0.000 1.008 251 E CA 0.985 57.402 56.400 0.028 0.000 0.852 251 E CB 0.187 29.901 29.700 0.023 0.000 0.783 251 E HN 0.488 nan 8.360 nan 0.000 0.505 252 D N -0.747 119.688 120.400 0.057 0.000 2.842 252 D HA 0.109 4.749 4.640 0.000 0.000 0.248 252 D C -1.869 174.474 176.300 0.070 0.000 1.140 252 D CA -0.520 53.523 54.000 0.071 0.000 0.728 252 D CB 2.221 43.060 40.800 0.065 0.000 1.595 252 D HN -0.062 nan 8.370 nan 0.000 0.450 253 V N 3.606 123.574 119.914 0.090 0.000 2.443 253 V HA 0.496 4.616 4.120 0.000 0.000 0.293 253 V C 0.220 176.366 176.094 0.086 0.000 1.021 253 V CA -0.514 61.841 62.300 0.091 0.000 0.848 253 V CB 1.482 33.381 31.823 0.126 0.000 0.998 253 V HN 0.549 nan 8.190 nan 0.000 0.424 254 E N 3.295 123.531 120.200 0.060 0.000 2.446 254 E HA 0.811 5.162 4.350 0.000 0.000 0.267 254 E C 0.599 177.217 176.600 0.030 0.000 0.955 254 E CA -0.368 56.059 56.400 0.045 0.000 0.842 254 E CB 1.626 31.348 29.700 0.037 0.000 1.504 254 E HN 0.888 nan 8.360 nan 0.000 0.438 255 G N 1.053 109.863 108.800 0.017 0.000 2.627 255 G HA2 -0.445 3.515 3.960 0.000 0.000 0.312 255 G HA3 -0.445 3.515 3.960 0.000 0.000 0.312 255 G C 0.747 175.650 174.900 0.006 0.000 1.299 255 G CA 0.957 46.061 45.100 0.008 0.000 0.989 255 G HN 0.747 nan 8.290 nan 0.000 0.547 256 E N 0.339 120.542 120.200 0.004 0.000 2.049 256 E HA -0.099 4.251 4.350 0.000 0.000 0.198 256 E C 3.098 179.706 176.600 0.014 0.000 1.007 256 E CA 1.636 58.038 56.400 0.003 0.000 0.809 256 E CB -0.390 29.311 29.700 0.001 0.000 0.749 256 E HN 0.776 nan 8.360 nan 0.000 0.450 257 A N 1.518 124.351 122.820 0.021 0.000 1.869 257 A HA -0.251 4.069 4.320 0.000 0.000 0.218 257 A C 2.241 179.862 177.584 0.062 0.000 1.203 257 A CA 1.839 53.897 52.037 0.034 0.000 0.638 257 A CB -0.883 18.137 19.000 0.034 0.000 0.831 257 A HN 0.259 nan 8.150 nan 0.000 0.450 258 L N -0.569 120.697 121.223 0.071 0.000 2.083 258 L HA -0.036 4.304 4.340 0.000 0.000 0.209 258 L C 2.682 179.593 176.870 0.069 0.000 1.083 258 L CA 2.178 57.085 54.840 0.112 0.000 0.752 258 L CB -0.836 41.274 42.059 0.086 0.000 0.899 258 L HN 0.391 nan 8.230 nan 0.000 0.433 259 A N -1.589 121.240 122.820 0.014 0.000 1.877 259 A HA -0.188 4.132 4.320 0.000 0.000 0.216 259 A C 2.253 179.836 177.584 -0.002 0.000 1.186 259 A CA 2.263 54.284 52.037 -0.027 0.000 0.620 259 A CB -1.180 17.800 19.000 -0.034 0.000 0.822 259 A HN 0.489 nan 8.150 nan 0.000 0.443 260 T N 0.650 115.217 114.554 0.022 0.000 2.708 260 T HA -0.105 4.245 4.350 0.000 0.000 0.266 260 T C 1.838 176.576 174.700 0.064 0.000 1.037 260 T CA 1.487 63.605 62.100 0.030 0.000 1.146 260 T CB -0.466 68.417 68.868 0.024 0.000 0.865 260 T HN 0.346 nan 8.240 nan 0.000 0.435 261 L N 0.810 122.096 121.223 0.106 0.000 2.043 261 L HA -0.132 4.208 4.340 0.000 0.000 0.212 261 L C 2.644 179.686 176.870 0.287 0.000 1.075 261 L CA 1.036 55.976 54.840 0.168 0.000 0.752 261 L CB -0.709 41.474 42.059 0.206 0.000 0.891 261 L HN 0.171 nan 8.230 nan 0.000 0.432 262 V N -1.143 118.928 119.914 0.262 0.000 2.379 262 V HA -0.198 3.922 4.120 0.000 0.000 0.245 262 V C 2.366 178.500 176.094 0.068 0.000 1.044 262 V CA 1.251 63.643 62.300 0.153 0.000 1.036 262 V CB -0.098 31.625 31.823 -0.166 0.000 0.664 262 V HN 0.181 nan 8.190 nan 0.000 0.453 263 V N 0.790 120.719 119.914 0.025 0.000 2.261 263 V HA -0.241 3.879 4.120 0.000 0.000 0.246 263 V C 2.298 178.414 176.094 0.038 0.000 1.047 263 V CA 2.205 64.511 62.300 0.011 0.000 1.015 263 V CB -0.857 30.963 31.823 -0.004 0.000 0.642 263 V HN 0.574 nan 8.190 nan 0.000 0.446 264 N N 0.380 119.109 118.700 0.049 0.000 2.223 264 N HA -0.185 4.555 4.740 0.000 0.000 0.185 264 N C 1.851 177.397 175.510 0.060 0.000 1.016 264 N CA 1.450 54.528 53.050 0.045 0.000 0.863 264 N CB -0.242 38.268 38.487 0.040 0.000 0.983 264 N HN 0.475 nan 8.380 nan 0.000 0.429 265 K N 1.842 122.300 120.400 0.097 0.000 2.001 265 K HA 0.014 4.335 4.320 0.000 0.000 0.208 265 K C 1.828 178.487 176.600 0.097 0.000 1.048 265 K CA 1.062 57.422 56.287 0.120 0.000 0.932 265 K CB -0.493 32.151 32.500 0.239 0.000 0.715 265 K HN 0.107 nan 8.250 nan 0.000 0.437 266 L N 0.100 121.381 121.223 0.096 0.000 2.478 266 L HA 0.125 4.465 4.340 0.000 0.000 0.223 266 L C 2.623 179.519 176.870 0.044 0.000 1.140 266 L CA 0.517 55.401 54.840 0.073 0.000 0.842 266 L CB -0.220 41.892 42.059 0.088 0.000 0.953 266 L HN 0.201 nan 8.230 nan 0.000 0.452 267 R N 0.044 120.568 120.500 0.040 0.000 2.128 267 R HA 0.068 4.408 4.340 0.000 0.000 0.211 267 R C 1.392 177.706 176.300 0.022 0.000 1.067 267 R CA 0.967 57.082 56.100 0.025 0.000 1.010 267 R CB 0.313 30.627 30.300 0.023 0.000 0.922 267 R HN 0.295 nan 8.270 nan 0.000 0.457 268 G N -1.022 107.795 108.800 0.029 0.000 2.192 268 G HA2 -0.201 3.759 3.960 0.000 0.000 0.193 268 G HA3 -0.201 3.759 3.960 0.000 0.000 0.193 268 G C 0.742 175.656 174.900 0.023 0.000 0.999 268 G CA 0.413 45.527 45.100 0.024 0.000 0.659 268 G HN 0.358 nan 8.290 nan 0.000 0.503 269 T N -0.176 114.393 114.554 0.024 0.000 2.777 269 T HA 0.272 4.622 4.350 0.000 0.000 0.266 269 T C 0.852 175.566 174.700 0.024 0.000 1.040 269 T CA 1.464 63.576 62.100 0.021 0.000 1.141 269 T CB 0.231 69.110 68.868 0.019 0.000 0.868 269 T HN 0.476 nan 8.240 nan 0.000 0.444 270 L N 1.356 122.596 121.223 0.029 0.000 2.543 270 L HA 0.364 4.704 4.340 0.000 0.000 0.265 270 L C -0.923 175.965 176.870 0.031 0.000 0.945 270 L CA -0.736 54.121 54.840 0.029 0.000 0.869 270 L CB 1.949 44.022 42.059 0.023 0.000 1.294 270 L HN 0.114 nan 8.230 nan 0.000 0.405 271 S N 4.564 120.280 115.700 0.027 0.000 2.411 271 S HA 0.578 5.048 4.470 0.000 0.000 0.304 271 S C -0.291 174.302 174.600 -0.012 0.000 1.098 271 S CA -0.498 57.714 58.200 0.021 0.000 1.068 271 S CB 0.463 63.676 63.200 0.022 0.000 1.032 271 S HN 0.480 nan 8.310 nan 0.000 0.511 272 V N -0.179 119.699 119.914 -0.060 0.000 3.164 272 V HA 1.067 5.187 4.120 0.000 0.000 0.313 272 V C -0.182 175.653 176.094 -0.431 0.000 1.188 272 V CA -0.981 61.211 62.300 -0.179 0.000 1.058 272 V CB 1.087 32.801 31.823 -0.182 0.000 1.110 272 V HN 1.345 nan 8.190 nan 0.000 0.453 273 A N 0.127 122.578 122.820 -0.614 0.000 2.518 273 A HA 0.887 5.208 4.320 0.000 0.000 0.295 273 A C -0.542 176.697 177.584 -0.576 0.000 1.052 273 A CA 0.015 51.493 52.037 -0.932 0.000 0.824 273 A CB 0.869 19.707 19.000 -0.270 0.000 1.325 273 A HN 2.324 nan 8.150 nan 0.000 0.394 274 A N 1.666 124.127 122.820 -0.599 0.000 2.292 274 A HA 0.773 5.093 4.320 0.000 0.000 0.319 274 A C -0.485 177.201 177.584 0.170 0.000 1.206 274 A CA -0.446 51.569 52.037 -0.038 0.000 0.835 274 A CB 0.819 19.894 19.000 0.125 0.000 1.164 274 A HN 1.508 nan 8.150 nan 0.000 0.505 275 V N 3.080 123.085 119.914 0.152 0.000 2.735 275 V HA 0.304 4.424 4.120 0.000 0.000 0.310 275 V C 0.048 176.261 176.094 0.198 0.000 1.061 275 V CA -0.943 61.468 62.300 0.185 0.000 0.913 275 V CB 2.069 34.009 31.823 0.195 0.000 1.005 275 V HN 0.982 nan 8.190 nan 0.000 0.428 276 K N 2.106 122.614 120.400 0.179 0.000 2.319 276 K HA 0.559 4.879 4.320 0.000 0.000 0.265 276 K C 0.283 176.996 176.600 0.188 0.000 1.000 276 K CA -0.106 56.268 56.287 0.145 0.000 0.943 276 K CB 0.750 33.312 32.500 0.104 0.000 0.950 276 K HN 0.851 nan 8.250 nan 0.000 0.485 277 A N 4.017 126.877 122.820 0.066 0.000 2.477 277 A HA 0.189 4.509 4.320 0.000 0.000 0.246 277 A C -1.948 175.589 177.584 -0.077 0.000 1.078 277 A CA -1.140 50.875 52.037 -0.038 0.000 0.770 277 A CB -0.403 18.552 19.000 -0.075 0.000 1.011 277 A HN 0.453 nan 8.150 nan 0.000 0.494 278 P HA 0.299 nan 4.420 nan 0.000 0.270 278 P C 0.770 177.925 177.300 -0.242 0.000 1.223 278 P CA 1.335 64.391 63.100 -0.074 0.000 0.785 278 P CB 0.364 31.959 31.700 -0.174 0.000 0.923 279 G N 0.745 109.346 108.800 -0.330 0.000 2.801 279 G HA2 -0.161 3.799 3.960 0.000 0.000 0.244 279 G HA3 -0.161 3.799 3.960 0.000 0.000 0.244 279 G C -1.200 173.234 174.900 -0.775 0.000 1.385 279 G CA -0.400 44.468 45.100 -0.386 0.000 0.894 279 G HN 0.448 nan 8.290 nan 0.000 0.562 280 F N 0.047 120.036 119.950 0.065 0.000 2.581 280 F HA 0.661 5.188 4.527 0.000 0.000 0.311 280 F C 0.957 176.785 175.800 0.047 0.000 1.113 280 F CA 0.606 58.639 58.000 0.055 0.000 0.935 280 F CB 1.479 40.513 39.000 0.057 0.000 1.232 280 F HN 1.997 nan 8.300 nan 0.000 0.445 281 G N 2.276 111.186 108.800 0.184 0.000 2.539 281 G HA2 -0.271 3.690 3.960 0.000 0.000 0.256 281 G HA3 -0.271 3.690 3.960 0.000 0.000 0.256 281 G C 0.547 175.492 174.900 0.076 0.000 1.233 281 G CA 0.216 45.388 45.100 0.120 0.000 0.936 281 G HN 0.599 nan 8.290 nan 0.000 0.571 282 D N 0.143 120.583 120.400 0.067 0.000 2.158 282 D HA -0.153 4.487 4.640 0.000 0.000 0.197 282 D C 2.347 178.672 176.300 0.042 0.000 0.995 282 D CA 1.701 55.728 54.000 0.046 0.000 0.846 282 D CB -0.136 40.691 40.800 0.045 0.000 0.941 282 D HN 0.363 nan 8.370 nan 0.000 0.456 283 R N 1.373 121.912 120.500 0.066 0.000 2.139 283 R HA -0.133 4.207 4.340 0.000 0.000 0.243 283 R C 2.130 178.447 176.300 0.028 0.000 1.145 283 R CA 1.399 57.537 56.100 0.063 0.000 0.976 283 R CB -0.372 29.997 30.300 0.116 0.000 0.866 283 R HN 0.139 nan 8.270 nan 0.000 0.449 284 R N 0.100 120.608 120.500 0.014 0.000 2.057 284 R HA -0.058 4.283 4.340 0.000 0.000 0.229 284 R C 2.145 178.415 176.300 -0.049 0.000 1.136 284 R CA 1.846 57.922 56.100 -0.040 0.000 0.952 284 R CB -0.293 29.976 30.300 -0.051 0.000 0.848 284 R HN 0.159 nan 8.270 nan 0.000 0.430 285 K N 0.063 120.446 120.400 -0.028 0.000 2.152 285 K HA -0.215 4.105 4.320 0.000 0.000 0.206 285 K C 1.839 178.411 176.600 -0.048 0.000 1.048 285 K CA 1.856 58.121 56.287 -0.037 0.000 0.933 285 K CB 0.008 32.498 32.500 -0.017 0.000 0.721 285 K HN 0.069 nan 8.250 nan 0.000 0.447 286 E N 0.510 120.691 120.200 -0.032 0.000 2.110 286 E HA -0.121 4.230 4.350 0.000 0.000 0.193 286 E C 1.769 178.332 176.600 -0.061 0.000 0.988 286 E CA 1.478 57.856 56.400 -0.036 0.000 0.804 286 E CB 0.023 29.716 29.700 -0.011 0.000 0.745 286 E HN 0.346 nan 8.360 nan 0.000 0.458 287 M N -0.696 118.869 119.600 -0.057 0.000 2.349 287 M HA -0.005 4.475 4.480 0.000 0.000 0.266 287 M C 1.900 178.084 176.300 -0.194 0.000 1.076 287 M CA 0.649 55.905 55.300 -0.075 0.000 1.126 287 M CB 0.020 32.620 32.600 -0.000 0.000 1.392 287 M HN 0.118 nan 8.290 nan 0.000 0.440 288 L N 0.022 121.143 121.223 -0.169 0.000 2.201 288 L HA -0.187 4.153 4.340 0.000 0.000 0.212 288 L C 2.235 178.994 176.870 -0.184 0.000 1.105 288 L CA 1.171 55.897 54.840 -0.190 0.000 0.775 288 L CB -0.344 41.638 42.059 -0.130 0.000 0.913 288 L HN 0.277 nan 8.230 nan 0.000 0.440 289 K N -0.498 119.806 120.400 -0.160 0.000 2.116 289 K HA -0.099 4.221 4.320 0.000 0.000 0.203 289 K C 1.603 178.079 176.600 -0.206 0.000 1.052 289 K CA 0.918 57.118 56.287 -0.144 0.000 0.952 289 K CB -0.078 32.361 32.500 -0.102 0.000 0.729 289 K HN 0.244 nan 8.250 nan 0.000 0.446 290 D N 1.276 121.504 120.400 -0.286 0.000 2.149 290 D HA -0.164 4.476 4.640 0.000 0.000 0.198 290 D C 1.903 177.859 176.300 -0.573 0.000 0.990 290 D CA 1.178 54.914 54.000 -0.441 0.000 0.839 290 D CB -0.009 40.414 40.800 -0.628 0.000 0.948 290 D HN 0.213 nan 8.370 nan 0.000 0.460 291 I N 1.213 121.451 120.570 -0.552 0.000 2.193 291 I HA -0.199 3.971 4.170 0.000 0.000 0.240 291 I C 2.695 178.686 176.117 -0.210 0.000 1.084 291 I CA 0.772 61.834 61.300 -0.396 0.000 1.365 291 I CB -0.317 37.500 38.000 -0.304 0.000 1.064 291 I HN -0.109 nan 8.210 nan 0.000 0.410 292 A N 1.027 123.744 122.820 -0.170 0.000 1.917 292 A HA -0.238 4.082 4.320 0.000 0.000 0.219 292 A C 2.537 180.065 177.584 -0.094 0.000 1.182 292 A CA 2.149 54.123 52.037 -0.104 0.000 0.633 292 A CB -0.883 18.063 19.000 -0.090 0.000 0.819 292 A HN 0.463 nan 8.150 nan 0.000 0.448 293 A N -0.600 122.148 122.820 -0.120 0.000 1.858 293 A HA -0.039 4.281 4.320 0.000 0.000 0.216 293 A C 2.147 179.686 177.584 -0.075 0.000 1.190 293 A CA 1.990 53.971 52.037 -0.094 0.000 0.617 293 A CB -0.973 17.963 19.000 -0.106 0.000 0.827 293 A HN 0.568 nan 8.150 nan 0.000 0.443 294 V N -0.300 119.557 119.914 -0.095 0.000 3.041 294 V HA -0.110 4.010 4.120 0.000 0.000 0.260 294 V C 2.354 178.430 176.094 -0.030 0.000 1.105 294 V CA 2.048 64.318 62.300 -0.051 0.000 1.125 294 V CB -0.987 30.812 31.823 -0.040 0.000 0.730 294 V HN 0.607 nan 8.190 nan 0.000 0.479 295 T N -0.439 114.090 114.554 -0.041 0.000 2.983 295 T HA 0.298 4.648 4.350 0.000 0.000 0.250 295 T C 1.506 176.200 174.700 -0.011 0.000 1.037 295 T CA 1.093 63.181 62.100 -0.019 0.000 1.142 295 T CB 0.197 69.055 68.868 -0.016 0.000 0.876 295 T HN 0.749 nan 8.240 nan 0.000 0.455 296 G N 1.051 109.841 108.800 -0.018 0.000 2.167 296 G HA2 0.107 4.067 3.960 0.000 0.000 0.194 296 G HA3 0.107 4.067 3.960 0.000 0.000 0.194 296 G C 0.175 175.077 174.900 0.004 0.000 1.027 296 G CA -0.307 44.789 45.100 -0.007 0.000 0.717 296 G HN 0.859 nan 8.290 nan 0.000 0.501 297 G N -1.563 107.233 108.800 -0.007 0.000 3.108 297 G HA2 0.909 4.869 3.960 0.000 0.000 0.268 297 G HA3 0.909 4.869 3.960 0.000 0.000 0.268 297 G C -0.629 174.256 174.900 -0.026 0.000 1.361 297 G CA 0.185 45.285 45.100 -0.000 0.000 1.047 297 G HN 0.819 nan 8.290 nan 0.000 0.540 298 T N -0.388 114.152 114.554 -0.024 0.000 2.933 298 T HA 0.393 4.743 4.350 0.000 0.000 0.305 298 T C -0.484 174.201 174.700 -0.026 0.000 1.092 298 T CA -0.394 61.681 62.100 -0.042 0.000 1.008 298 T CB 1.913 70.740 68.868 -0.069 0.000 1.102 298 T HN 0.399 nan 8.240 nan 0.000 0.469 299 V N 3.586 123.480 119.914 -0.033 0.000 2.400 299 V HA 0.110 4.230 4.120 0.000 0.000 0.263 299 V C 0.765 176.874 176.094 0.025 0.000 1.026 299 V CA -0.042 62.249 62.300 -0.016 0.000 1.077 299 V CB -0.759 31.045 31.823 -0.032 0.000 1.054 299 V HN 0.767 nan 8.190 nan 0.000 0.477 300 I N 5.499 126.112 120.570 0.071 0.000 2.501 300 I HA 0.019 4.189 4.170 0.000 0.000 0.305 300 I C 0.949 177.146 176.117 0.133 0.000 1.197 300 I CA 0.402 61.808 61.300 0.177 0.000 1.793 300 I CB -0.328 37.794 38.000 0.203 0.000 1.521 300 I HN 0.717 nan 8.210 nan 0.000 0.843 301 S N 3.202 118.969 115.700 0.111 0.000 2.499 301 S HA 0.277 4.747 4.470 0.000 0.000 0.279 301 S C 0.959 175.617 174.600 0.097 0.000 1.219 301 S CA -0.866 57.378 58.200 0.074 0.000 1.062 301 S CB 1.830 65.054 63.200 0.040 0.000 0.978 301 S HN 0.381 nan 8.310 nan 0.000 0.489 302 E N 2.602 122.839 120.200 0.062 0.000 2.268 302 E HA -0.116 4.234 4.350 0.000 0.000 0.195 302 E C 1.412 178.043 176.600 0.051 0.000 0.995 302 E CA 0.820 57.250 56.400 0.051 0.000 0.836 302 E CB -0.173 29.539 29.700 0.020 0.000 0.763 302 E HN 0.847 nan 8.360 nan 0.000 0.491 303 E N 1.006 121.231 120.200 0.043 0.000 2.021 303 E HA -0.132 4.218 4.350 0.000 0.000 0.200 303 E C 1.530 178.153 176.600 0.038 0.000 1.015 303 E CA 0.823 57.243 56.400 0.033 0.000 0.824 303 E CB -0.218 29.497 29.700 0.025 0.000 0.762 303 E HN 0.218 nan 8.360 nan 0.000 0.454 304 L N 1.295 122.545 121.223 0.044 0.000 2.855 304 L HA 0.107 4.448 4.340 0.000 0.000 0.257 304 L C 0.582 177.495 176.870 0.072 0.000 1.206 304 L CA -0.148 54.716 54.840 0.039 0.000 1.042 304 L CB -1.444 40.626 42.059 0.018 0.000 1.321 304 L HN 0.204 nan 8.230 nan 0.000 0.417 305 G N 1.345 110.194 108.800 0.082 0.000 2.345 305 G HA2 -0.298 3.662 3.960 0.000 0.000 0.205 305 G HA3 -0.298 3.662 3.960 0.000 0.000 0.205 305 G C -0.786 174.243 174.900 0.215 0.000 0.534 305 G CA -0.161 45.001 45.100 0.104 0.000 0.968 305 G HN 0.320 nan 8.290 nan 0.000 0.330 306 F N 2.258 122.204 119.950 -0.008 0.000 2.775 306 F HA 0.442 4.969 4.527 0.000 0.000 0.339 306 F C -0.220 175.575 175.800 -0.009 0.000 1.159 306 F CA -1.288 56.706 58.000 -0.010 0.000 1.145 306 F CB 0.852 39.845 39.000 -0.012 0.000 1.408 306 F HN 0.431 nan 8.300 nan 0.000 0.597 307 K N 5.612 125.618 120.400 -0.657 0.000 2.202 307 K HA 0.379 4.699 4.320 0.000 0.000 0.264 307 K C 0.937 177.029 176.600 -0.846 0.000 1.010 307 K CA -0.500 55.448 56.287 -0.565 0.000 0.940 307 K CB 1.138 33.435 32.500 -0.337 0.000 0.983 307 K HN 0.734 nan 8.250 nan 0.000 0.475 308 L N 2.070 123.034 121.223 -0.431 0.000 2.056 308 L HA -0.193 4.147 4.340 0.000 0.000 0.207 308 L C 2.445 179.171 176.870 -0.240 0.000 1.078 308 L CA 1.077 55.738 54.840 -0.298 0.000 0.749 308 L CB -0.361 41.613 42.059 -0.141 0.000 0.901 308 L HN 0.757 nan 8.230 nan 0.000 0.433 309 E N -0.009 120.070 120.200 -0.201 0.000 2.219 309 E HA -0.239 4.111 4.350 0.000 0.000 0.198 309 E C 0.682 177.209 176.600 -0.123 0.000 0.998 309 E CA 1.251 57.573 56.400 -0.131 0.000 0.818 309 E CB -0.704 28.933 29.700 -0.104 0.000 0.741 309 E HN 0.535 nan 8.360 nan 0.000 0.477 310 N N 1.364 119.938 118.700 -0.210 0.000 2.362 310 N HA 0.187 4.927 4.740 0.000 0.000 0.211 310 N C -0.361 175.217 175.510 0.113 0.000 1.170 310 N CA 0.494 53.490 53.050 -0.089 0.000 0.828 310 N CB 0.607 39.034 38.487 -0.101 0.000 1.034 310 N HN 0.203 nan 8.380 nan 0.000 0.475 311 A N 0.453 123.314 122.820 0.068 0.000 2.289 311 A HA 0.440 4.760 4.320 0.000 0.000 0.298 311 A C 0.525 178.179 177.584 0.117 0.000 1.208 311 A CA -0.327 51.862 52.037 0.253 0.000 0.845 311 A CB 0.465 19.569 19.000 0.174 0.000 1.125 311 A HN 0.056 nan 8.150 nan 0.000 0.517 312 T N 2.372 116.994 114.554 0.112 0.000 2.899 312 T HA 0.191 4.541 4.350 0.000 0.000 0.295 312 T C 0.987 175.668 174.700 -0.031 0.000 1.033 312 T CA -0.158 61.956 62.100 0.023 0.000 1.084 312 T CB 0.642 69.518 68.868 0.014 0.000 0.979 312 T HN 0.567 nan 8.240 nan 0.000 0.532 313 L N 3.167 124.337 121.223 -0.089 0.000 2.798 313 L HA 0.136 4.476 4.340 0.000 0.000 0.254 313 L C 1.374 178.157 176.870 -0.146 0.000 1.176 313 L CA 0.734 55.454 54.840 -0.200 0.000 0.991 313 L CB -1.265 40.637 42.059 -0.262 0.000 1.225 313 L HN 0.764 nan 8.230 nan 0.000 0.420 314 S N -3.404 112.264 115.700 -0.052 0.000 2.684 314 S HA 0.133 4.603 4.470 0.000 0.000 0.268 314 S C 1.364 175.971 174.600 0.011 0.000 1.075 314 S CA -0.227 57.973 58.200 0.000 0.000 1.184 314 S CB -0.271 62.928 63.200 -0.002 0.000 1.129 314 S HN 0.358 nan 8.310 nan 0.000 0.630 315 M N 2.427 122.027 119.600 -0.000 0.000 2.492 315 M HA 0.293 4.773 4.480 0.000 0.000 0.262 315 M C 0.575 176.888 176.300 0.021 0.000 1.090 315 M CA 0.561 55.857 55.300 -0.005 0.000 1.110 315 M CB -0.309 32.290 32.600 -0.002 0.000 1.407 315 M HN 0.432 nan 8.290 nan 0.000 0.470 316 L N -0.518 120.732 121.223 0.046 0.000 2.264 316 L HA 0.743 5.084 4.340 0.000 0.000 0.289 316 L C 0.299 177.256 176.870 0.144 0.000 1.044 316 L CA -0.875 54.017 54.840 0.086 0.000 0.807 316 L CB 0.463 42.579 42.059 0.095 0.000 1.192 316 L HN 0.009 nan 8.230 nan 0.000 0.425 317 G N 4.042 112.898 108.800 0.094 0.000 2.583 317 G HA2 0.521 4.481 3.960 0.000 0.000 0.275 317 G HA3 0.521 4.481 3.960 0.000 0.000 0.275 317 G C -0.407 174.552 174.900 0.098 0.000 1.342 317 G CA -0.685 44.463 45.100 0.080 0.000 1.030 317 G HN 1.041 nan 8.290 nan 0.000 0.520 318 R N -2.730 117.780 120.500 0.016 0.000 2.712 318 R HA 0.706 5.046 4.340 0.000 0.000 0.272 318 R C -1.262 174.995 176.300 -0.071 0.000 1.032 318 R CA -0.701 55.355 56.100 -0.073 0.000 0.874 318 R CB 1.074 31.219 30.300 -0.260 0.000 1.256 318 R HN 1.084 nan 8.270 nan 0.000 0.468 319 A N 0.571 123.339 122.820 -0.087 0.000 2.569 319 A HA 0.419 4.739 4.320 0.000 0.000 0.290 319 A C 0.067 177.608 177.584 -0.070 0.000 1.136 319 A CA -0.811 51.194 52.037 -0.054 0.000 0.710 319 A CB 1.811 20.803 19.000 -0.013 0.000 1.303 319 A HN 0.898 nan 8.150 nan 0.000 0.413 320 E N -0.298 119.875 120.200 -0.045 0.000 2.150 320 E HA -0.053 4.297 4.350 0.000 0.000 0.193 320 E C 0.594 177.173 176.600 -0.035 0.000 0.985 320 E CA 0.915 57.289 56.400 -0.044 0.000 0.814 320 E CB 0.214 29.898 29.700 -0.026 0.000 0.752 320 E HN 0.428 nan 8.360 nan 0.000 0.466 321 R N -0.007 120.481 120.500 -0.021 0.000 2.561 321 R HA 0.322 4.662 4.340 0.000 0.000 0.266 321 R C -2.087 174.216 176.300 0.004 0.000 1.091 321 R CA -0.308 55.786 56.100 -0.010 0.000 0.927 321 R CB 1.924 32.221 30.300 -0.005 0.000 1.240 321 R HN -0.137 nan 8.270 nan 0.000 0.449 322 V N 4.386 124.306 119.914 0.009 0.000 2.487 322 V HA 0.510 4.630 4.120 0.000 0.000 0.298 322 V C -0.555 175.554 176.094 0.025 0.000 1.028 322 V CA -0.712 61.603 62.300 0.026 0.000 0.860 322 V CB 1.770 33.613 31.823 0.034 0.000 0.991 322 V HN 0.674 nan 8.190 nan 0.000 0.427 323 R N 5.604 126.117 120.500 0.022 0.000 2.343 323 R HA 0.715 5.055 4.340 0.000 0.000 0.320 323 R C -1.411 174.898 176.300 0.014 0.000 0.956 323 R CA -0.469 55.644 56.100 0.022 0.000 0.836 323 R CB 1.082 31.389 30.300 0.011 0.000 1.151 323 R HN 0.702 nan 8.270 nan 0.000 0.450 324 I N 3.605 124.210 120.570 0.059 0.000 2.389 324 I HA 0.305 4.476 4.170 0.000 0.000 0.288 324 I C -0.112 176.083 176.117 0.130 0.000 0.999 324 I CA -0.665 60.679 61.300 0.073 0.000 1.129 324 I CB 2.225 40.323 38.000 0.164 0.000 1.288 324 I HN 0.573 nan 8.210 nan 0.000 0.444 325 T N 3.975 118.493 114.554 -0.060 0.000 2.950 325 T HA 0.203 4.554 4.350 0.000 0.000 0.288 325 T C 0.944 175.282 174.700 -0.604 0.000 1.035 325 T CA -0.663 61.350 62.100 -0.144 0.000 1.028 325 T CB 2.103 70.904 68.868 -0.111 0.000 1.109 325 T HN 0.600 nan 8.240 nan 0.000 0.514 326 K N 0.374 120.296 120.400 -0.797 0.000 2.442 326 K HA -0.071 4.249 4.320 0.000 0.000 0.198 326 K C 0.331 176.662 176.600 -0.448 0.000 1.042 326 K CA 1.331 57.031 56.287 -0.979 0.000 0.958 326 K CB 0.198 32.408 32.500 -0.483 0.000 0.766 326 K HN 0.425 nan 8.250 nan 0.000 0.474 327 D N -0.600 119.616 120.400 -0.305 0.000 2.498 327 D HA 0.038 4.678 4.640 0.000 0.000 0.223 327 D C -0.356 175.821 176.300 -0.205 0.000 1.125 327 D CA 0.157 54.041 54.000 -0.194 0.000 0.835 327 D CB 0.943 41.670 40.800 -0.122 0.000 1.086 327 D HN 0.220 nan 8.370 nan 0.000 0.510 328 E N 0.361 120.413 120.200 -0.248 0.000 2.352 328 E HA 0.307 4.657 4.350 0.000 0.000 0.280 328 E C -1.464 174.938 176.600 -0.330 0.000 0.930 328 E CA -0.329 55.901 56.400 -0.283 0.000 0.765 328 E CB 2.021 31.606 29.700 -0.192 0.000 1.219 328 E HN -0.276 nan 8.360 nan 0.000 0.434 329 T N 2.423 116.653 114.554 -0.539 0.000 2.797 329 T HA 0.508 4.858 4.350 0.000 0.000 0.279 329 T C -0.930 173.602 174.700 -0.279 0.000 0.991 329 T CA -0.431 61.385 62.100 -0.474 0.000 0.979 329 T CB 1.555 69.942 68.868 -0.802 0.000 0.943 329 T HN 0.368 nan 8.240 nan 0.000 0.444 330 T N 3.400 117.900 114.554 -0.089 0.000 2.848 330 T HA 0.582 4.932 4.350 0.000 0.000 0.285 330 T C -0.339 174.394 174.700 0.055 0.000 0.995 330 T CA -0.566 61.529 62.100 -0.008 0.000 0.970 330 T CB 0.875 69.725 68.868 -0.030 0.000 0.976 330 T HN 0.443 nan 8.240 nan 0.000 0.441 331 I N 3.015 123.646 120.570 0.102 0.000 2.405 331 I HA 0.378 4.548 4.170 0.000 0.000 0.280 331 I C -0.554 175.603 176.117 0.067 0.000 1.027 331 I CA -0.909 60.450 61.300 0.100 0.000 1.161 331 I CB 1.353 39.444 38.000 0.152 0.000 1.300 331 I HN 0.273 nan 8.210 nan 0.000 0.463 332 V N 5.008 124.943 119.914 0.034 0.000 2.427 332 V HA 0.627 4.747 4.120 0.000 0.000 0.286 332 V C 0.865 176.965 176.094 0.010 0.000 1.034 332 V CA -0.120 62.190 62.300 0.016 0.000 0.893 332 V CB 1.288 33.110 31.823 -0.001 0.000 0.982 332 V HN 1.026 nan 8.190 nan 0.000 0.452 333 G N 3.646 112.452 108.800 0.011 0.000 2.255 333 G HA2 -0.102 3.858 3.960 0.000 0.000 0.239 333 G HA3 -0.102 3.858 3.960 0.000 0.000 0.239 333 G C 0.398 175.300 174.900 0.003 0.000 1.083 333 G CA -0.347 44.755 45.100 0.004 0.000 0.826 333 G HN 1.377 nan 8.290 nan 0.000 0.493 334 G N -0.338 108.472 108.800 0.017 0.000 2.313 334 G HA2 0.423 4.384 3.960 0.000 0.000 0.250 334 G HA3 0.423 4.384 3.960 0.000 0.000 0.250 334 G C 0.617 175.519 174.900 0.002 0.000 1.281 334 G CA -0.098 45.010 45.100 0.013 0.000 0.917 334 G HN 0.490 nan 8.290 nan 0.000 0.501 335 K N 2.342 122.737 120.400 -0.008 0.000 2.576 335 K HA 0.184 4.504 4.320 0.000 0.000 0.209 335 K C 1.318 177.914 176.600 -0.007 0.000 1.049 335 K CA -0.245 56.036 56.287 -0.010 0.000 1.140 335 K CB 0.967 33.455 32.500 -0.021 0.000 0.871 335 K HN 0.536 nan 8.250 nan 0.000 0.479 336 G N 1.162 109.957 108.800 -0.009 0.000 2.572 336 G HA2 0.074 4.034 3.960 0.000 0.000 0.261 336 G HA3 0.074 4.034 3.960 0.000 0.000 0.261 336 G C -0.542 174.352 174.900 -0.010 0.000 1.197 336 G CA -0.587 44.505 45.100 -0.013 0.000 0.870 336 G HN 0.144 nan 8.290 nan 0.000 0.548 337 K N 0.697 121.089 120.400 -0.013 0.000 2.436 337 K HA 0.005 4.325 4.320 0.000 0.000 0.282 337 K C 1.341 177.935 176.600 -0.010 0.000 1.044 337 K CA -0.102 56.178 56.287 -0.010 0.000 1.028 337 K CB 1.292 33.784 32.500 -0.013 0.000 0.919 337 K HN 0.633 nan 8.250 nan 0.000 0.474 338 K N 3.531 123.928 120.400 -0.005 0.000 2.293 338 K HA -0.255 4.065 4.320 0.000 0.000 0.204 338 K C 0.638 177.235 176.600 -0.005 0.000 1.045 338 K CA 1.685 57.971 56.287 -0.002 0.000 0.933 338 K CB 0.215 32.716 32.500 0.002 0.000 0.736 338 K HN 0.559 nan 8.250 nan 0.000 0.463 339 E N 0.510 120.705 120.200 -0.009 0.000 2.016 339 E HA -0.145 4.205 4.350 0.000 0.000 0.190 339 E C 1.729 178.320 176.600 -0.016 0.000 0.985 339 E CA 1.175 57.568 56.400 -0.011 0.000 0.802 339 E CB -0.082 29.610 29.700 -0.012 0.000 0.762 339 E HN 0.356 nan 8.360 nan 0.000 0.448 340 D N 1.036 121.424 120.400 -0.021 0.000 2.190 340 D HA -0.176 4.464 4.640 0.000 0.000 0.200 340 D C 2.056 178.336 176.300 -0.033 0.000 0.992 340 D CA 0.997 54.979 54.000 -0.030 0.000 0.854 340 D CB -0.152 40.627 40.800 -0.036 0.000 0.936 340 D HN 0.208 nan 8.370 nan 0.000 0.462 341 I N 1.205 121.759 120.570 -0.026 0.000 2.110 341 I HA -0.233 3.937 4.170 0.000 0.000 0.236 341 I C 2.264 178.373 176.117 -0.013 0.000 1.068 341 I CA 1.169 62.456 61.300 -0.022 0.000 1.333 341 I CB -0.276 37.720 38.000 -0.008 0.000 1.054 341 I HN -0.095 nan 8.210 nan 0.000 0.402 342 E N 0.898 121.094 120.200 -0.006 0.000 2.331 342 E HA -0.200 4.151 4.350 0.000 0.000 0.199 342 E C 2.170 178.765 176.600 -0.007 0.000 1.008 342 E CA 0.983 57.381 56.400 -0.003 0.000 0.843 342 E CB -0.153 29.546 29.700 -0.002 0.000 0.761 342 E HN 0.523 nan 8.360 nan 0.000 0.507 343 A N 1.554 124.366 122.820 -0.014 0.000 1.898 343 A HA -0.169 4.151 4.320 0.000 0.000 0.216 343 A C 2.024 179.597 177.584 -0.018 0.000 1.181 343 A CA 1.034 53.061 52.037 -0.017 0.000 0.620 343 A CB -0.111 18.876 19.000 -0.023 0.000 0.819 343 A HN 0.020 nan 8.150 nan 0.000 0.442 344 R N 0.045 120.531 120.500 -0.024 0.000 2.062 344 R HA 0.045 4.385 4.340 0.000 0.000 0.229 344 R C 1.999 178.294 176.300 -0.009 0.000 1.128 344 R CA 1.294 57.379 56.100 -0.025 0.000 0.960 344 R CB -1.270 29.004 30.300 -0.043 0.000 0.855 344 R HN 0.635 nan 8.270 nan 0.000 0.432 345 I N 1.802 122.371 120.570 -0.001 0.000 2.185 345 I HA -0.347 3.824 4.170 0.000 0.000 0.246 345 I C 1.811 177.931 176.117 0.005 0.000 1.088 345 I CA 1.482 62.788 61.300 0.009 0.000 1.347 345 I CB -0.414 37.594 38.000 0.012 0.000 1.041 345 I HN 0.188 nan 8.210 nan 0.000 0.415 346 N N 0.912 119.612 118.700 0.000 0.000 2.173 346 N HA -0.060 4.680 4.740 0.000 0.000 0.184 346 N C 1.959 177.467 175.510 -0.002 0.000 1.025 346 N CA 1.525 54.575 53.050 -0.001 0.000 0.852 346 N CB -0.609 37.877 38.487 -0.003 0.000 0.998 346 N HN 0.391 nan 8.380 nan 0.000 0.427 347 G N 1.226 110.023 108.800 -0.005 0.000 2.498 347 G HA2 -0.156 3.804 3.960 0.000 0.000 0.219 347 G HA3 -0.156 3.804 3.960 0.000 0.000 0.219 347 G C 1.535 176.432 174.900 -0.004 0.000 1.119 347 G CA 0.095 45.191 45.100 -0.006 0.000 0.766 347 G HN 0.271 nan 8.290 nan 0.000 0.552 348 I N -0.597 119.972 120.570 -0.002 0.000 2.480 348 I HA 0.035 4.205 4.170 0.000 0.000 0.251 348 I C 2.575 178.694 176.117 0.002 0.000 1.124 348 I CA 0.705 62.006 61.300 0.002 0.000 1.444 348 I CB 0.080 38.084 38.000 0.007 0.000 1.098 348 I HN 0.083 nan 8.210 nan 0.000 0.428 349 K N 0.595 120.996 120.400 0.002 0.000 2.103 349 K HA -0.139 4.181 4.320 0.000 0.000 0.204 349 K C 2.009 178.610 176.600 0.001 0.000 1.052 349 K CA 1.094 57.382 56.287 0.002 0.000 0.945 349 K CB -0.015 32.486 32.500 0.003 0.000 0.722 349 K HN 0.267 nan 8.250 nan 0.000 0.443 350 K N 1.174 121.574 120.400 0.000 0.000 2.025 350 K HA -0.183 4.137 4.320 0.000 0.000 0.207 350 K C 2.114 178.714 176.600 0.001 0.000 1.049 350 K CA 1.352 57.639 56.287 0.000 0.000 0.933 350 K CB -0.015 32.484 32.500 -0.001 0.000 0.714 350 K HN 0.211 nan 8.250 nan 0.000 0.438 351 E N 0.910 121.111 120.200 0.001 0.000 2.418 351 E HA -0.149 4.201 4.350 0.000 0.000 0.197 351 E C 1.745 178.347 176.600 0.002 0.000 1.026 351 E CA 0.260 56.661 56.400 0.002 0.000 0.862 351 E CB 0.168 29.869 29.700 0.002 0.000 0.799 351 E HN 0.076 nan 8.360 nan 0.000 0.518 352 L N 1.093 122.316 121.223 0.001 0.000 2.240 352 L HA -0.030 4.310 4.340 0.000 0.000 0.211 352 L C 1.542 178.413 176.870 0.001 0.000 1.106 352 L CA 1.583 56.422 54.840 -0.001 0.000 0.793 352 L CB 0.030 42.089 42.059 -0.001 0.000 0.927 352 L HN 0.082 nan 8.230 nan 0.000 0.446 353 E N -1.883 118.318 120.200 0.002 0.000 2.230 353 E HA -0.060 4.290 4.350 0.000 0.000 0.192 353 E C 1.579 178.182 176.600 0.005 0.000 0.987 353 E CA 1.134 57.536 56.400 0.003 0.000 0.841 353 E CB 0.078 29.780 29.700 0.003 0.000 0.783 353 E HN 0.388 nan 8.360 nan 0.000 0.481 354 T N 0.532 115.089 114.554 0.005 0.000 3.067 354 T HA 0.009 4.359 4.350 0.000 0.000 0.261 354 T C 0.781 175.487 174.700 0.010 0.000 1.110 354 T CA 0.404 62.508 62.100 0.007 0.000 1.113 354 T CB 0.137 69.009 68.868 0.007 0.000 0.917 354 T HN 0.032 nan 8.240 nan 0.000 0.499 355 T N 3.168 117.727 114.554 0.009 0.000 2.919 355 T HA 0.130 4.480 4.350 0.000 0.000 0.302 355 T C 0.859 175.567 174.700 0.014 0.000 1.031 355 T CA -0.351 61.756 62.100 0.012 0.000 1.127 355 T CB 0.756 69.628 68.868 0.007 0.000 0.952 355 T HN 0.412 nan 8.240 nan 0.000 0.540 356 D N 0.059 120.471 120.400 0.021 0.000 2.461 356 D HA -0.007 4.633 4.640 0.000 0.000 0.266 356 D C 0.667 176.986 176.300 0.031 0.000 1.085 356 D CA -0.099 53.914 54.000 0.022 0.000 0.887 356 D CB -0.119 40.694 40.800 0.021 0.000 1.309 356 D HN 0.508 nan 8.370 nan 0.000 0.498 357 S N 0.993 116.718 115.700 0.042 0.000 2.455 357 S HA 0.151 4.621 4.470 0.000 0.000 0.278 357 S C 0.933 175.575 174.600 0.069 0.000 1.216 357 S CA -0.513 57.726 58.200 0.064 0.000 1.055 357 S CB 1.688 64.942 63.200 0.089 0.000 0.939 357 S HN 0.059 nan 8.310 nan 0.000 0.494 358 E N 1.622 121.864 120.200 0.069 0.000 2.147 358 E HA -0.268 4.083 4.350 0.000 0.000 0.199 358 E C 1.155 177.801 176.600 0.076 0.000 1.005 358 E CA 1.825 58.263 56.400 0.062 0.000 0.810 358 E CB -0.358 29.380 29.700 0.065 0.000 0.736 358 E HN 0.934 nan 8.360 nan 0.000 0.460 359 Y N 1.096 121.405 120.300 0.014 0.000 2.145 359 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 359 Y C 2.308 178.222 175.900 0.023 0.000 1.145 359 Y CA 1.400 59.510 58.100 0.018 0.000 1.148 359 Y CB -0.542 37.928 38.460 0.016 0.000 0.981 359 Y HN -0.005 nan 8.280 nan 0.000 0.507 360 A N 0.579 123.364 122.820 -0.058 0.000 1.940 360 A HA -0.214 4.106 4.320 0.000 0.000 0.219 360 A C 2.309 179.811 177.584 -0.137 0.000 1.176 360 A CA 1.866 53.833 52.037 -0.117 0.000 0.631 360 A CB -0.651 18.357 19.000 0.014 0.000 0.814 360 A HN 0.554 nan 8.150 nan 0.000 0.446 361 R N -0.346 120.106 120.500 -0.080 0.000 2.080 361 R HA -0.156 4.184 4.340 0.000 0.000 0.236 361 R C 2.162 178.409 176.300 -0.088 0.000 1.137 361 R CA 1.743 57.807 56.100 -0.060 0.000 0.943 361 R CB -0.440 29.845 30.300 -0.025 0.000 0.846 361 R HN 0.675 nan 8.270 nan 0.000 0.431 362 E N 0.740 120.870 120.200 -0.116 0.000 2.171 362 E HA -0.245 4.106 4.350 0.000 0.000 0.197 362 E C 1.940 178.455 176.600 -0.142 0.000 0.997 362 E CA 1.626 57.958 56.400 -0.113 0.000 0.810 362 E CB -0.028 29.607 29.700 -0.108 0.000 0.738 362 E HN 0.465 nan 8.360 nan 0.000 0.467 363 K N 0.399 120.659 120.400 -0.233 0.000 2.116 363 K HA -0.065 4.255 4.320 0.000 0.000 0.203 363 K C 1.986 178.533 176.600 -0.090 0.000 1.052 363 K CA 0.696 56.870 56.287 -0.189 0.000 0.952 363 K CB -0.142 32.183 32.500 -0.293 0.000 0.729 363 K HN -0.023 nan 8.250 nan 0.000 0.446 364 L N 1.855 123.032 121.223 -0.077 0.000 2.141 364 L HA -0.104 4.237 4.340 0.000 0.000 0.209 364 L C 2.583 179.442 176.870 -0.019 0.000 1.094 364 L CA 1.330 56.152 54.840 -0.030 0.000 0.763 364 L CB -0.447 41.597 42.059 -0.025 0.000 0.908 364 L HN 0.199 nan 8.230 nan 0.000 0.437 365 Q N 0.148 119.927 119.800 -0.034 0.000 2.061 365 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 365 Q C 2.109 178.100 176.000 -0.015 0.000 0.984 365 Q CA 2.051 57.841 55.803 -0.022 0.000 0.846 365 Q CB -0.354 28.366 28.738 -0.030 0.000 0.902 365 Q HN 0.765 nan 8.270 nan 0.000 0.421 366 E N 0.142 120.327 120.200 -0.026 0.000 2.106 366 E HA -0.130 4.220 4.350 0.000 0.000 0.192 366 E C 2.040 178.633 176.600 -0.011 0.000 0.984 366 E CA 0.586 56.970 56.400 -0.026 0.000 0.806 366 E CB -0.288 29.388 29.700 -0.040 0.000 0.750 366 E HN 0.196 nan 8.360 nan 0.000 0.458 367 R N 0.242 120.755 120.500 0.022 0.000 2.081 367 R HA -0.095 4.245 4.340 0.000 0.000 0.235 367 R C 2.496 178.858 176.300 0.103 0.000 1.131 367 R CA 1.278 57.440 56.100 0.103 0.000 0.960 367 R CB -0.450 29.919 30.300 0.116 0.000 0.856 367 R HN 0.187 nan 8.270 nan 0.000 0.436 368 L N 0.667 121.922 121.223 0.053 0.000 2.046 368 L HA -0.108 4.232 4.340 0.000 0.000 0.208 368 L C 2.119 179.015 176.870 0.043 0.000 1.077 368 L CA 2.033 56.899 54.840 0.043 0.000 0.747 368 L CB -0.550 41.522 42.059 0.022 0.000 0.896 368 L HN 0.131 nan 8.230 nan 0.000 0.432 369 A N -1.357 121.479 122.820 0.028 0.000 2.067 369 A HA -0.101 4.220 4.320 0.000 0.000 0.217 369 A C 2.249 179.848 177.584 0.026 0.000 1.156 369 A CA 1.197 53.247 52.037 0.022 0.000 0.683 369 A CB -0.349 18.654 19.000 0.006 0.000 0.808 369 A HN 0.494 nan 8.150 nan 0.000 0.455 370 K N -0.270 120.147 120.400 0.028 0.000 2.021 370 K HA 0.071 4.392 4.320 0.000 0.000 0.205 370 K C 1.795 178.469 176.600 0.123 0.000 1.047 370 K CA 1.178 57.478 56.287 0.022 0.000 0.943 370 K CB -0.344 32.096 32.500 -0.099 0.000 0.725 370 K HN 0.412 nan 8.250 nan 0.000 0.439 371 L N 1.245 122.574 121.223 0.177 0.000 1.976 371 L HA -0.105 4.236 4.340 0.000 0.000 0.209 371 L C 1.459 178.384 176.870 0.092 0.000 1.071 371 L CA 0.652 55.581 54.840 0.148 0.000 0.746 371 L CB -0.582 41.544 42.059 0.112 0.000 0.890 371 L HN 0.128 nan 8.230 nan 0.000 0.432 372 A N -0.697 122.166 122.820 0.072 0.000 2.327 372 A HA 0.427 4.747 4.320 0.000 0.000 0.255 372 A C 1.427 179.052 177.584 0.069 0.000 1.099 372 A CA 0.322 52.394 52.037 0.059 0.000 0.801 372 A CB -0.041 18.985 19.000 0.044 0.000 1.062 372 A HN 0.565 nan 8.150 nan 0.000 0.496 373 G N -0.774 108.073 108.800 0.078 0.000 2.412 373 G HA2 0.046 4.006 3.960 0.000 0.000 0.252 373 G HA3 0.046 4.006 3.960 0.000 0.000 0.252 373 G C 1.870 176.859 174.900 0.148 0.000 1.038 373 G CA 1.363 46.531 45.100 0.114 0.000 0.628 373 G HN 2.984 nan 8.290 nan 0.000 0.531 374 G N -1.813 107.048 108.800 0.102 0.000 2.514 374 G HA2 0.060 4.020 3.960 0.000 0.000 0.265 374 G HA3 0.060 4.020 3.960 0.000 0.000 0.265 374 G C 0.076 175.008 174.900 0.053 0.000 1.150 374 G CA 0.979 46.135 45.100 0.093 0.000 0.959 374 G HN 1.712 nan 8.290 nan 0.000 0.556 375 V N 1.365 121.291 119.914 0.020 0.000 2.454 375 V HA 0.655 4.775 4.120 0.000 0.000 0.267 375 V C 0.697 176.688 176.094 -0.172 0.000 0.993 375 V CA 0.047 62.317 62.300 -0.049 0.000 0.836 375 V CB 0.705 32.522 31.823 -0.010 0.000 1.055 375 V HN 1.994 nan 8.190 nan 0.000 0.452 376 A N 4.575 127.201 122.820 -0.323 0.000 2.537 376 A HA 0.499 4.819 4.320 0.000 0.000 0.260 376 A C -0.064 177.299 177.584 -0.368 0.000 1.082 376 A CA 0.373 52.018 52.037 -0.653 0.000 0.765 376 A CB 0.104 18.674 19.000 -0.716 0.000 1.019 376 A HN 0.637 nan 8.150 nan 0.000 0.507 377 V N 4.395 124.117 119.914 -0.320 0.000 2.581 377 V HA 0.381 4.501 4.120 0.000 0.000 0.303 377 V C 0.109 176.117 176.094 -0.144 0.000 1.041 377 V CA -0.346 61.853 62.300 -0.168 0.000 0.907 377 V CB 1.815 33.581 31.823 -0.095 0.000 0.994 377 V HN 0.718 nan 8.190 nan 0.000 0.442 378 I N 5.071 125.585 120.570 -0.094 0.000 2.503 378 I HA 0.363 4.534 4.170 0.000 0.000 0.277 378 I C 0.140 176.245 176.117 -0.020 0.000 1.078 378 I CA -0.624 60.632 61.300 -0.072 0.000 1.184 378 I CB 0.569 38.516 38.000 -0.087 0.000 1.353 378 I HN 0.464 nan 8.210 nan 0.000 0.490 379 R N 4.025 124.518 120.500 -0.012 0.000 2.446 379 R HA 0.162 4.502 4.340 0.000 0.000 0.314 379 R C -0.457 175.869 176.300 0.043 0.000 1.003 379 R CA -0.131 55.978 56.100 0.015 0.000 1.018 379 R CB 0.633 30.940 30.300 0.011 0.000 0.945 379 R HN 0.242 nan 8.270 nan 0.000 0.419 380 V N 3.121 123.084 119.914 0.081 0.000 2.406 380 V HA 0.296 4.416 4.120 0.000 0.000 0.272 380 V C 1.060 177.219 176.094 0.108 0.000 1.043 380 V CA -0.583 61.807 62.300 0.149 0.000 0.915 380 V CB 1.470 33.419 31.823 0.209 0.000 0.988 380 V HN 0.840 nan 8.190 nan 0.000 0.466 381 G N 3.285 112.155 108.800 0.116 0.000 2.356 381 G HA2 0.714 4.674 3.960 0.000 0.000 0.298 381 G HA3 0.714 4.674 3.960 0.000 0.000 0.298 381 G C -0.181 174.763 174.900 0.074 0.000 1.145 381 G CA 0.400 45.547 45.100 0.077 0.000 0.850 381 G HN 1.080 nan 8.290 nan 0.000 0.487 382 A N 0.994 123.839 122.820 0.042 0.000 3.005 382 A HA 0.940 5.260 4.320 0.000 0.000 0.282 382 A C 0.558 178.152 177.584 0.016 0.000 1.218 382 A CA 0.350 52.401 52.037 0.023 0.000 0.703 382 A CB 0.728 19.732 19.000 0.006 0.000 1.387 382 A HN 1.802 nan 8.150 nan 0.000 0.592 383 A N -1.933 120.890 122.820 0.006 0.000 2.167 383 A HA 0.528 4.848 4.320 0.000 0.000 0.184 383 A C 0.563 178.147 177.584 -0.001 0.000 1.675 383 A CA 1.305 53.345 52.037 0.004 0.000 1.215 383 A CB 0.032 19.035 19.000 0.005 0.000 1.427 383 A HN 0.816 nan 8.150 nan 0.000 0.457 384 T N -0.774 113.777 114.554 -0.006 0.000 2.924 384 T HA 0.351 4.701 4.350 0.000 0.000 0.291 384 T C 0.618 175.310 174.700 -0.013 0.000 1.045 384 T CA -0.214 61.880 62.100 -0.010 0.000 1.015 384 T CB 2.261 71.121 68.868 -0.014 0.000 1.103 384 T HN 0.304 nan 8.240 nan 0.000 0.496 385 E N 0.618 120.810 120.200 -0.013 0.000 2.204 385 E HA -0.119 4.232 4.350 0.000 0.000 0.194 385 E C 1.330 177.917 176.600 -0.023 0.000 0.989 385 E CA 1.163 57.554 56.400 -0.015 0.000 0.824 385 E CB 0.132 29.823 29.700 -0.014 0.000 0.756 385 E HN 0.645 nan 8.360 nan 0.000 0.477 386 T N 0.444 114.983 114.554 -0.025 0.000 2.668 386 T HA -0.169 4.181 4.350 0.000 0.000 0.258 386 T C 1.672 176.347 174.700 -0.041 0.000 1.051 386 T CA 1.193 63.273 62.100 -0.033 0.000 1.155 386 T CB -0.393 68.457 68.868 -0.030 0.000 0.864 386 T HN 0.285 nan 8.240 nan 0.000 0.413 387 E N 0.532 120.710 120.200 -0.036 0.000 2.187 387 E HA -0.211 4.139 4.350 0.000 0.000 0.199 387 E C 2.063 178.626 176.600 -0.061 0.000 1.004 387 E CA 0.935 57.307 56.400 -0.046 0.000 0.813 387 E CB -0.172 29.510 29.700 -0.030 0.000 0.736 387 E HN 0.269 nan 8.360 nan 0.000 0.468 388 L N 1.199 122.396 121.223 -0.044 0.000 2.007 388 L HA -0.126 4.214 4.340 0.000 0.000 0.205 388 L C 2.109 178.946 176.870 -0.055 0.000 1.073 388 L CA 1.867 56.682 54.840 -0.042 0.000 0.744 388 L CB -0.322 41.727 42.059 -0.017 0.000 0.898 388 L HN -0.058 nan 8.230 nan 0.000 0.435 389 K N -0.532 119.843 120.400 -0.042 0.000 2.127 389 K HA -0.262 4.058 4.320 0.000 0.000 0.208 389 K C 2.079 178.649 176.600 -0.049 0.000 1.047 389 K CA 1.734 57.998 56.287 -0.038 0.000 0.927 389 K CB -0.297 32.176 32.500 -0.045 0.000 0.716 389 K HN 0.469 nan 8.250 nan 0.000 0.450 390 E N 1.600 121.753 120.200 -0.078 0.000 2.015 390 E HA -0.172 4.178 4.350 0.000 0.000 0.191 390 E C 1.804 178.295 176.600 -0.181 0.000 0.991 390 E CA 1.303 57.646 56.400 -0.095 0.000 0.802 390 E CB 0.148 29.790 29.700 -0.097 0.000 0.759 390 E HN 0.217 nan 8.360 nan 0.000 0.447 391 K N 0.651 120.869 120.400 -0.304 0.000 2.063 391 K HA -0.207 4.113 4.320 0.000 0.000 0.208 391 K C 2.261 178.497 176.600 -0.606 0.000 1.048 391 K CA 1.525 57.381 56.287 -0.719 0.000 0.928 391 K CB -0.210 31.908 32.500 -0.638 0.000 0.713 391 K HN -0.092 nan 8.250 nan 0.000 0.442 392 K N 1.112 121.381 120.400 -0.219 0.000 2.015 392 K HA -0.260 4.060 4.320 0.000 0.000 0.216 392 K C 2.011 178.604 176.600 -0.012 0.000 1.052 392 K CA 2.091 58.349 56.287 -0.048 0.000 0.937 392 K CB -0.690 31.812 32.500 0.002 0.000 0.719 392 K HN 0.223 nan 8.250 nan 0.000 0.446 393 H N -0.113 118.895 119.070 -0.103 0.000 2.267 393 H HA -0.034 4.523 4.556 0.000 0.000 0.297 393 H C 2.227 177.515 175.328 -0.068 0.000 1.080 393 H CA 2.583 58.591 56.048 -0.067 0.000 1.278 393 H CB -0.180 29.541 29.762 -0.069 0.000 1.365 393 H HN 0.274 nan 8.280 nan 0.000 0.489 394 R N -0.483 119.967 120.500 -0.084 0.000 2.115 394 R HA -0.198 4.142 4.340 0.000 0.000 0.239 394 R C 2.425 178.721 176.300 -0.007 0.000 1.133 394 R CA 2.393 58.423 56.100 -0.116 0.000 0.935 394 R CB -0.629 29.549 30.300 -0.203 0.000 0.853 394 R HN 0.419 nan 8.270 nan 0.000 0.433 395 F N 0.093 120.019 119.950 -0.041 0.000 2.134 395 F HA -0.199 4.329 4.527 0.000 0.000 0.299 395 F C 2.634 178.390 175.800 -0.073 0.000 1.097 395 F CA 0.987 58.959 58.000 -0.047 0.000 1.264 395 F CB -0.233 38.749 39.000 -0.030 0.000 1.001 395 F HN 0.323 nan 8.300 nan 0.000 0.479 396 E N 0.716 120.969 120.200 0.089 0.000 2.077 396 E HA -0.227 4.123 4.350 0.000 0.000 0.193 396 E C 1.677 178.237 176.600 -0.066 0.000 0.989 396 E CA 1.580 57.977 56.400 -0.006 0.000 0.800 396 E CB -0.007 29.666 29.700 -0.045 0.000 0.746 396 E HN 0.303 nan 8.360 nan 0.000 0.452 397 D N 0.179 120.491 120.400 -0.146 0.000 2.084 397 D HA -0.157 4.483 4.640 0.000 0.000 0.194 397 D C 1.904 178.169 176.300 -0.059 0.000 0.990 397 D CA 1.339 55.250 54.000 -0.147 0.000 0.826 397 D CB -0.468 40.198 40.800 -0.224 0.000 0.971 397 D HN 0.273 nan 8.370 nan 0.000 0.453 398 A N 1.092 123.904 122.820 -0.013 0.000 1.927 398 A HA -0.219 4.101 4.320 0.000 0.000 0.220 398 A C 2.163 179.745 177.584 -0.004 0.000 1.185 398 A CA 1.460 53.506 52.037 0.015 0.000 0.639 398 A CB -0.805 18.240 19.000 0.076 0.000 0.820 398 A HN 0.256 nan 8.150 nan 0.000 0.451 399 L N 0.697 121.916 121.223 -0.006 0.000 1.961 399 L HA -0.185 4.155 4.340 0.000 0.000 0.210 399 L C 1.992 178.844 176.870 -0.030 0.000 1.072 399 L CA 2.527 57.353 54.840 -0.023 0.000 0.749 399 L CB -1.014 41.030 42.059 -0.025 0.000 0.889 399 L HN 0.422 nan 8.230 nan 0.000 0.432 400 N N 0.326 119.004 118.700 -0.037 0.000 2.137 400 N HA -0.238 4.502 4.740 0.000 0.000 0.190 400 N C 1.764 177.256 175.510 -0.031 0.000 1.017 400 N CA 1.709 54.737 53.050 -0.038 0.000 0.859 400 N CB -0.535 37.924 38.487 -0.047 0.000 1.002 400 N HN 0.578 nan 8.380 nan 0.000 0.428 401 A N 1.235 124.038 122.820 -0.030 0.000 1.841 401 A HA -0.160 4.160 4.320 0.000 0.000 0.216 401 A C 2.468 180.041 177.584 -0.018 0.000 1.199 401 A CA 2.443 54.466 52.037 -0.023 0.000 0.621 401 A CB -1.340 17.648 19.000 -0.020 0.000 0.835 401 A HN 0.343 nan 8.150 nan 0.000 0.445 402 T N 0.165 114.708 114.554 -0.018 0.000 2.699 402 T HA -0.208 4.142 4.350 0.000 0.000 0.268 402 T C 1.992 176.682 174.700 -0.017 0.000 1.036 402 T CA 1.666 63.756 62.100 -0.017 0.000 1.147 402 T CB -0.358 68.498 68.868 -0.019 0.000 0.862 402 T HN 0.492 nan 8.240 nan 0.000 0.446 403 R N 1.132 121.619 120.500 -0.020 0.000 2.081 403 R HA 0.025 4.366 4.340 0.000 0.000 0.235 403 R C 2.884 179.175 176.300 -0.015 0.000 1.131 403 R CA 1.396 57.485 56.100 -0.019 0.000 0.960 403 R CB -0.628 29.657 30.300 -0.025 0.000 0.856 403 R HN 0.430 nan 8.270 nan 0.000 0.436 404 A N 1.519 124.329 122.820 -0.016 0.000 1.898 404 A HA -0.036 4.284 4.320 0.000 0.000 0.216 404 A C 2.443 180.022 177.584 -0.009 0.000 1.181 404 A CA 1.454 53.484 52.037 -0.012 0.000 0.620 404 A CB -0.566 18.426 19.000 -0.013 0.000 0.819 404 A HN 0.371 nan 8.150 nan 0.000 0.442 405 A N -0.444 122.370 122.820 -0.010 0.000 1.948 405 A HA -0.084 4.236 4.320 0.000 0.000 0.220 405 A C 2.178 179.758 177.584 -0.006 0.000 1.177 405 A CA 2.008 54.040 52.037 -0.008 0.000 0.636 405 A CB -0.878 18.117 19.000 -0.009 0.000 0.815 405 A HN 0.435 nan 8.150 nan 0.000 0.449 406 V N -0.127 119.783 119.914 -0.007 0.000 2.548 406 V HA -0.214 3.906 4.120 0.000 0.000 0.249 406 V C 2.312 178.405 176.094 -0.002 0.000 1.055 406 V CA 1.990 64.288 62.300 -0.004 0.000 1.065 406 V CB -0.774 31.046 31.823 -0.005 0.000 0.681 406 V HN 0.641 nan 8.190 nan 0.000 0.462 407 E N 0.329 120.528 120.200 -0.003 0.000 2.051 407 E HA -0.191 4.159 4.350 0.000 0.000 0.192 407 E C 1.283 177.884 176.600 0.001 0.000 0.991 407 E CA 1.365 57.765 56.400 -0.000 0.000 0.799 407 E CB -0.012 29.687 29.700 -0.001 0.000 0.748 407 E HN 0.647 nan 8.360 nan 0.000 0.449 408 E N -0.414 119.786 120.200 0.000 0.000 2.887 408 E HA 0.247 4.597 4.350 0.000 0.000 0.206 408 E C -0.120 176.481 176.600 0.001 0.000 0.983 408 E CA -0.037 56.364 56.400 0.002 0.000 1.141 408 E CB 1.371 31.072 29.700 0.002 0.000 1.061 408 E HN 0.253 nan 8.360 nan 0.000 0.468 409 G N 1.994 110.794 108.800 0.000 0.000 2.877 409 G HA2 -0.266 3.694 3.960 0.000 0.000 0.279 409 G HA3 -0.266 3.694 3.960 0.000 0.000 0.279 409 G C -0.142 174.758 174.900 -0.000 0.000 1.431 409 G CA -0.138 44.962 45.100 0.001 0.000 0.883 409 G HN 0.303 nan 8.290 nan 0.000 0.547 410 I N -2.283 118.287 120.570 -0.000 0.000 2.740 410 I HA 0.909 5.079 4.170 0.000 0.000 0.303 410 I C 0.400 176.517 176.117 0.001 0.000 1.044 410 I CA -1.319 59.980 61.300 -0.001 0.000 1.064 410 I CB 2.127 40.125 38.000 -0.003 0.000 1.249 410 I HN 1.179 nan 8.210 nan 0.000 0.433 411 V N 0.345 120.259 119.914 -0.000 0.000 3.102 411 V HA 0.707 4.827 4.120 0.000 0.000 0.312 411 V C -2.858 173.235 176.094 -0.001 0.000 1.135 411 V CA -2.653 59.648 62.300 0.002 0.000 1.022 411 V CB 1.270 33.095 31.823 0.004 0.000 1.056 411 V HN 0.632 nan 8.190 nan 0.000 0.436 412 P HA 0.275 nan 4.420 nan 0.000 0.265 412 P C 0.353 177.645 177.300 -0.014 0.000 1.193 412 P CA 0.900 63.996 63.100 -0.005 0.000 0.765 412 P CB 0.496 32.199 31.700 0.005 0.000 0.823 413 G N 1.763 110.547 108.800 -0.027 0.000 2.509 413 G HA2 0.429 4.389 3.960 0.000 0.000 0.269 413 G HA3 0.429 4.389 3.960 0.000 0.000 0.269 413 G C 0.637 175.510 174.900 -0.044 0.000 1.416 413 G CA -0.379 44.702 45.100 -0.033 0.000 1.052 413 G HN 0.777 nan 8.290 nan 0.000 0.542 414 G N -1.977 106.793 108.800 -0.050 0.000 2.249 414 G HA2 0.201 4.161 3.960 0.000 0.000 0.273 414 G HA3 0.201 4.161 3.960 0.000 0.000 0.273 414 G C 1.567 176.448 174.900 -0.033 0.000 1.036 414 G CA 1.221 46.287 45.100 -0.057 0.000 0.824 414 G HN 2.459 nan 8.290 nan 0.000 0.504 415 G N -2.497 106.291 108.800 -0.020 0.000 2.284 415 G HA2 -0.303 3.657 3.960 0.000 0.000 0.261 415 G HA3 -0.303 3.657 3.960 0.000 0.000 0.261 415 G C 1.598 176.498 174.900 0.000 0.000 0.997 415 G CA 1.386 46.482 45.100 -0.007 0.000 0.621 415 G HN 1.516 nan 8.290 nan 0.000 0.534 416 V N 0.913 120.825 119.914 -0.004 0.000 2.370 416 V HA -0.277 3.843 4.120 0.000 0.000 0.252 416 V C 2.952 179.058 176.094 0.020 0.000 1.068 416 V CA 3.210 65.516 62.300 0.010 0.000 1.061 416 V CB -1.100 30.723 31.823 0.000 0.000 0.656 416 V HN 0.592 nan 8.190 nan 0.000 0.455 417 T N 0.028 114.590 114.554 0.012 0.000 2.708 417 T HA -0.115 4.235 4.350 0.000 0.000 0.266 417 T C 1.885 176.595 174.700 0.017 0.000 1.037 417 T CA 1.502 63.612 62.100 0.016 0.000 1.146 417 T CB -0.298 68.575 68.868 0.009 0.000 0.865 417 T HN 0.321 nan 8.240 nan 0.000 0.435 418 L N 0.472 121.703 121.223 0.013 0.000 2.079 418 L HA -0.086 4.254 4.340 0.000 0.000 0.210 418 L C 2.452 179.333 176.870 0.018 0.000 1.081 418 L CA 1.088 55.936 54.840 0.013 0.000 0.752 418 L CB -0.565 41.500 42.059 0.009 0.000 0.896 418 L HN 0.282 nan 8.230 nan 0.000 0.433 419 L N -0.881 120.356 121.223 0.023 0.000 2.017 419 L HA -0.193 4.147 4.340 0.000 0.000 0.208 419 L C 2.715 179.605 176.870 0.034 0.000 1.073 419 L CA 0.947 55.805 54.840 0.031 0.000 0.745 419 L CB -0.580 41.503 42.059 0.040 0.000 0.894 419 L HN 0.245 nan 8.230 nan 0.000 0.432 420 R N 0.273 120.795 120.500 0.037 0.000 2.241 420 R HA -0.078 4.262 4.340 0.000 0.000 0.224 420 R C 2.057 178.374 176.300 0.028 0.000 1.101 420 R CA 1.117 57.240 56.100 0.038 0.000 0.995 420 R CB -0.872 29.452 30.300 0.040 0.000 0.870 420 R HN 0.366 nan 8.270 nan 0.000 0.463 421 A N 0.820 123.654 122.820 0.023 0.000 2.016 421 A HA 0.002 4.322 4.320 0.000 0.000 0.217 421 A C 2.186 179.781 177.584 0.018 0.000 1.162 421 A CA 0.390 52.438 52.037 0.018 0.000 0.662 421 A CB -0.280 18.729 19.000 0.015 0.000 0.812 421 A HN 0.158 nan 8.150 nan 0.000 0.450 422 I N 0.800 121.382 120.570 0.020 0.000 2.113 422 I HA -0.354 3.816 4.170 0.000 0.000 0.242 422 I C 2.741 178.869 176.117 0.017 0.000 1.064 422 I CA 1.804 63.115 61.300 0.018 0.000 1.320 422 I CB -0.577 37.436 38.000 0.021 0.000 1.028 422 I HN 0.364 nan 8.210 nan 0.000 0.406 423 S N 1.345 117.056 115.700 0.019 0.000 2.380 423 S HA -0.282 4.189 4.470 0.000 0.000 0.229 423 S C 2.245 176.854 174.600 0.014 0.000 1.043 423 S CA 1.405 59.615 58.200 0.017 0.000 1.038 423 S CB -0.803 62.408 63.200 0.019 0.000 0.872 423 S HN 0.573 nan 8.310 nan 0.000 0.456 424 A N 1.476 124.305 122.820 0.014 0.000 1.902 424 A HA -0.004 4.316 4.320 0.000 0.000 0.217 424 A C 2.418 180.008 177.584 0.010 0.000 1.181 424 A CA 1.684 53.728 52.037 0.012 0.000 0.623 424 A CB -0.982 18.025 19.000 0.012 0.000 0.818 424 A HN 0.404 nan 8.150 nan 0.000 0.443 425 V N 0.246 120.166 119.914 0.011 0.000 2.358 425 V HA -0.210 3.910 4.120 0.000 0.000 0.246 425 V C 2.438 178.538 176.094 0.009 0.000 1.047 425 V CA 1.905 64.210 62.300 0.010 0.000 1.035 425 V CB -0.887 30.942 31.823 0.010 0.000 0.658 425 V HN 0.512 nan 8.190 nan 0.000 0.452 426 E N 0.210 120.416 120.200 0.010 0.000 2.049 426 E HA -0.242 4.108 4.350 0.000 0.000 0.198 426 E C 2.291 178.895 176.600 0.008 0.000 1.007 426 E CA 1.409 57.815 56.400 0.009 0.000 0.809 426 E CB -0.327 29.380 29.700 0.010 0.000 0.749 426 E HN 0.598 nan 8.360 nan 0.000 0.450 427 E N 0.713 120.918 120.200 0.008 0.000 2.130 427 E HA -0.190 4.160 4.350 0.000 0.000 0.196 427 E C 2.241 178.845 176.600 0.006 0.000 0.998 427 E CA 0.558 56.963 56.400 0.007 0.000 0.806 427 E CB -0.367 29.338 29.700 0.007 0.000 0.738 427 E HN 0.157 nan 8.360 nan 0.000 0.459 428 L N 1.022 122.249 121.223 0.007 0.000 1.994 428 L HA -0.121 4.219 4.340 0.000 0.000 0.208 428 L C 2.255 179.128 176.870 0.006 0.000 1.071 428 L CA 1.421 56.265 54.840 0.006 0.000 0.745 428 L CB -0.591 41.472 42.059 0.006 0.000 0.892 428 L HN 0.032 nan 8.230 nan 0.000 0.431 429 I N -0.168 120.406 120.570 0.006 0.000 2.194 429 I HA -0.382 3.789 4.170 0.000 0.000 0.246 429 I C 2.331 178.451 176.117 0.005 0.000 1.093 429 I CA 1.734 63.037 61.300 0.006 0.000 1.355 429 I CB -0.554 37.450 38.000 0.006 0.000 1.046 429 I HN 0.291 nan 8.210 nan 0.000 0.413 430 K N 0.875 121.278 120.400 0.005 0.000 2.360 430 K HA -0.166 4.154 4.320 0.000 0.000 0.201 430 K C 1.509 178.112 176.600 0.004 0.000 1.046 430 K CA 1.104 57.394 56.287 0.005 0.000 0.940 430 K CB -0.097 32.405 32.500 0.005 0.000 0.748 430 K HN 0.419 nan 8.250 nan 0.000 0.465 431 K N -0.003 120.399 120.400 0.004 0.000 2.358 431 K HA 0.202 4.522 4.320 0.000 0.000 0.200 431 K C 0.129 176.732 176.600 0.004 0.000 1.030 431 K CA -0.043 56.246 56.287 0.004 0.000 1.097 431 K CB 0.553 33.056 32.500 0.004 0.000 0.862 431 K HN -0.013 nan 8.250 nan 0.000 0.534 432 L N 0.793 122.018 121.223 0.004 0.000 2.322 432 L HA 0.440 4.780 4.340 0.000 0.000 0.269 432 L C -0.374 176.498 176.870 0.004 0.000 1.012 432 L CA -0.734 54.108 54.840 0.004 0.000 0.815 432 L CB 1.790 43.852 42.059 0.004 0.000 1.295 432 L HN 0.049 nan 8.230 nan 0.000 0.438 433 E N 0.040 120.242 120.200 0.004 0.000 2.433 433 E HA 0.572 4.922 4.350 0.000 0.000 0.278 433 E C -0.385 176.218 176.600 0.004 0.000 0.976 433 E CA 0.036 56.438 56.400 0.004 0.000 0.793 433 E CB 2.263 31.965 29.700 0.003 0.000 1.311 433 E HN 0.742 nan 8.360 nan 0.000 0.460 434 G N 2.352 111.155 108.800 0.004 0.000 2.593 434 G HA2 -0.267 3.693 3.960 0.000 0.000 0.237 434 G HA3 -0.267 3.693 3.960 0.000 0.000 0.237 434 G C 0.290 175.192 174.900 0.004 0.000 1.312 434 G CA 0.176 45.278 45.100 0.004 0.000 0.896 434 G HN 0.672 nan 8.290 nan 0.000 0.574 435 D N 0.125 120.527 120.400 0.004 0.000 2.219 435 D HA -0.042 4.598 4.640 0.000 0.000 0.205 435 D C 2.060 178.363 176.300 0.005 0.000 0.970 435 D CA 1.433 55.436 54.000 0.005 0.000 0.851 435 D CB -0.087 40.717 40.800 0.005 0.000 0.943 435 D HN 0.623 nan 8.370 nan 0.000 0.488 436 E N 0.698 120.900 120.200 0.005 0.000 2.058 436 E HA -0.166 4.184 4.350 0.000 0.000 0.194 436 E C 2.027 178.630 176.600 0.005 0.000 0.997 436 E CA 1.131 57.534 56.400 0.005 0.000 0.801 436 E CB 0.041 29.743 29.700 0.004 0.000 0.746 436 E HN 0.166 nan 8.360 nan 0.000 0.450 437 A N -0.005 122.818 122.820 0.005 0.000 1.972 437 A HA -0.169 4.151 4.320 0.000 0.000 0.219 437 A C 2.332 179.919 177.584 0.005 0.000 1.169 437 A CA 1.915 53.955 52.037 0.005 0.000 0.635 437 A CB -0.836 18.166 19.000 0.005 0.000 0.810 437 A HN 0.317 nan 8.150 nan 0.000 0.446 438 T N -0.164 114.393 114.554 0.005 0.000 2.708 438 T HA -0.059 4.291 4.350 0.000 0.000 0.266 438 T C 1.999 176.703 174.700 0.006 0.000 1.037 438 T CA 1.489 63.592 62.100 0.005 0.000 1.146 438 T CB -0.696 68.176 68.868 0.005 0.000 0.865 438 T HN 0.590 nan 8.240 nan 0.000 0.435 439 G N 1.410 110.213 108.800 0.006 0.000 2.459 439 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 439 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 439 G C 1.884 176.787 174.900 0.006 0.000 1.183 439 G CA 1.106 46.209 45.100 0.006 0.000 0.776 439 G HN 0.583 nan 8.290 nan 0.000 0.552 440 A N 0.949 123.773 122.820 0.006 0.000 1.903 440 A HA -0.167 4.153 4.320 0.000 0.000 0.219 440 A C 2.312 179.900 177.584 0.007 0.000 1.191 440 A CA 2.301 54.342 52.037 0.006 0.000 0.638 440 A CB -0.469 18.534 19.000 0.006 0.000 0.823 440 A HN 0.441 nan 8.150 nan 0.000 0.451 441 K N -0.658 119.745 120.400 0.007 0.000 2.147 441 K HA -0.026 4.294 4.320 0.000 0.000 0.205 441 K C 1.802 178.406 176.600 0.007 0.000 1.049 441 K CA 1.326 57.617 56.287 0.007 0.000 0.936 441 K CB -0.343 32.161 32.500 0.006 0.000 0.722 441 K HN 0.580 nan 8.250 nan 0.000 0.446 442 I N 0.605 121.179 120.570 0.007 0.000 2.179 442 I HA -0.277 3.893 4.170 0.000 0.000 0.242 442 I C 2.253 178.374 176.117 0.007 0.000 1.088 442 I CA 1.099 62.403 61.300 0.007 0.000 1.357 442 I CB -0.342 37.661 38.000 0.006 0.000 1.051 442 I HN -0.075 nan 8.210 nan 0.000 0.409 443 V N 1.023 120.942 119.914 0.007 0.000 2.287 443 V HA -0.324 3.796 4.120 0.000 0.000 0.248 443 V C 2.666 178.765 176.094 0.008 0.000 1.053 443 V CA 2.160 64.465 62.300 0.007 0.000 1.027 443 V CB -0.830 30.998 31.823 0.007 0.000 0.646 443 V HN 0.446 nan 8.190 nan 0.000 0.447 444 R N 0.141 120.647 120.500 0.009 0.000 2.117 444 R HA -0.264 4.076 4.340 0.000 0.000 0.243 444 R C 2.416 178.722 176.300 0.011 0.000 1.143 444 R CA 2.162 58.268 56.100 0.010 0.000 0.968 444 R CB -0.240 30.066 30.300 0.010 0.000 0.863 444 R HN 0.388 nan 8.270 nan 0.000 0.444 445 R N 0.653 121.159 120.500 0.009 0.000 2.073 445 R HA 0.056 4.396 4.340 0.000 0.000 0.229 445 R C 1.963 178.268 176.300 0.009 0.000 1.120 445 R CA 1.806 57.911 56.100 0.009 0.000 0.967 445 R CB -0.875 29.430 30.300 0.008 0.000 0.862 445 R HN 0.300 nan 8.270 nan 0.000 0.436 446 A N 1.189 124.014 122.820 0.008 0.000 1.873 446 A HA -0.146 4.174 4.320 0.000 0.000 0.218 446 A C 2.268 179.857 177.584 0.008 0.000 1.193 446 A CA 1.820 53.862 52.037 0.008 0.000 0.629 446 A CB -0.933 18.071 19.000 0.007 0.000 0.826 446 A HN 0.383 nan 8.150 nan 0.000 0.447 447 L N -0.621 120.607 121.223 0.009 0.000 2.283 447 L HA -0.289 4.051 4.340 0.000 0.000 0.217 447 L C 2.372 179.249 176.870 0.012 0.000 1.104 447 L CA 1.794 56.640 54.840 0.011 0.000 0.772 447 L CB -0.631 41.436 42.059 0.012 0.000 0.899 447 L HN 0.532 nan 8.230 nan 0.000 0.439 448 E N -0.893 119.314 120.200 0.012 0.000 2.299 448 E HA -0.126 4.224 4.350 0.000 0.000 0.193 448 E C 1.988 178.594 176.600 0.010 0.000 0.998 448 E CA 0.112 56.520 56.400 0.013 0.000 0.851 448 E CB 0.130 29.838 29.700 0.013 0.000 0.795 448 E HN 0.396 nan 8.360 nan 0.000 0.492 449 E N 0.597 120.802 120.200 0.008 0.000 2.023 449 E HA -0.148 4.202 4.350 0.000 0.000 0.196 449 E C -0.688 175.916 176.600 0.006 0.000 1.003 449 E CA 1.297 57.702 56.400 0.007 0.000 0.809 449 E CB -1.620 28.084 29.700 0.007 0.000 0.755 449 E HN 0.219 nan 8.360 nan 0.000 0.449 450 P HA -0.218 nan 4.420 nan 0.000 0.213 450 P C 1.397 178.699 177.300 0.003 0.000 1.176 450 P CA 2.565 65.667 63.100 0.003 0.000 0.919 450 P CB -0.262 31.439 31.700 0.002 0.000 0.791 451 A N -0.490 122.333 122.820 0.004 0.000 1.884 451 A HA -0.315 4.005 4.320 0.000 0.000 0.219 451 A C 2.412 179.997 177.584 0.002 0.000 1.197 451 A CA 2.397 54.436 52.037 0.004 0.000 0.637 451 A CB -1.463 17.541 19.000 0.007 0.000 0.827 451 A HN 0.023 nan 8.150 nan 0.000 0.450 452 R N -1.248 119.253 120.500 0.001 0.000 2.094 452 R HA -0.246 4.094 4.340 0.000 0.000 0.239 452 R C 2.527 178.832 176.300 0.008 0.000 1.137 452 R CA 2.106 58.206 56.100 -0.001 0.000 0.943 452 R CB -0.311 29.991 30.300 0.003 0.000 0.850 452 R HN 0.607 nan 8.270 nan 0.000 0.433 453 Q N 0.684 120.491 119.800 0.011 0.000 2.096 453 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 453 Q C 1.883 177.895 176.000 0.021 0.000 0.982 453 Q CA 1.809 57.621 55.803 0.015 0.000 0.850 453 Q CB -0.215 28.530 28.738 0.011 0.000 0.901 453 Q HN 0.455 nan 8.270 nan 0.000 0.422 454 I N -0.083 120.496 120.570 0.015 0.000 2.099 454 I HA -0.328 3.843 4.170 0.000 0.000 0.239 454 I C 2.248 178.388 176.117 0.037 0.000 1.066 454 I CA 1.170 62.479 61.300 0.015 0.000 1.324 454 I CB -0.672 37.328 38.000 0.001 0.000 1.037 454 I HN 0.310 nan 8.210 nan 0.000 0.401 455 A N 0.204 123.050 122.820 0.043 0.000 1.917 455 A HA -0.306 4.014 4.320 0.000 0.000 0.219 455 A C 2.184 179.842 177.584 0.123 0.000 1.182 455 A CA 2.294 54.367 52.037 0.059 0.000 0.633 455 A CB -0.695 18.265 19.000 -0.067 0.000 0.819 455 A HN 0.445 nan 8.150 nan 0.000 0.448 456 E N 0.373 120.621 120.200 0.080 0.000 2.023 456 E HA -0.183 4.167 4.350 0.000 0.000 0.196 456 E C 1.908 178.566 176.600 0.098 0.000 1.003 456 E CA 1.650 58.101 56.400 0.085 0.000 0.809 456 E CB -0.202 29.526 29.700 0.046 0.000 0.755 456 E HN 0.599 nan 8.360 nan 0.000 0.449 457 N N 0.057 118.800 118.700 0.072 0.000 2.192 457 N HA -0.180 4.560 4.740 0.000 0.000 0.188 457 N C 1.402 176.971 175.510 0.097 0.000 1.013 457 N CA 1.320 54.409 53.050 0.064 0.000 0.863 457 N CB -0.361 38.150 38.487 0.040 0.000 0.990 457 N HN 0.242 nan 8.380 nan 0.000 0.430 458 A N 0.055 122.961 122.820 0.142 0.000 2.209 458 A HA 0.314 4.634 4.320 0.000 0.000 0.212 458 A C 1.320 179.134 177.584 0.382 0.000 1.158 458 A CA 0.919 53.088 52.037 0.221 0.000 0.742 458 A CB -0.363 18.731 19.000 0.156 0.000 0.790 458 A HN 0.347 nan 8.150 nan 0.000 0.472 459 G N -2.178 106.798 108.800 0.294 0.000 2.255 459 G HA2 -0.192 3.768 3.960 0.000 0.000 0.239 459 G HA3 -0.192 3.768 3.960 0.000 0.000 0.239 459 G C -0.392 174.547 174.900 0.065 0.000 1.083 459 G CA 0.181 45.372 45.100 0.152 0.000 0.826 459 G HN 0.418 nan 8.290 nan 0.000 0.493 460 Y N -0.863 119.452 120.300 0.026 0.000 2.634 460 Y HA 0.559 5.109 4.550 0.000 0.000 0.340 460 Y C 0.574 176.450 175.900 -0.041 0.000 1.058 460 Y CA -1.570 56.525 58.100 -0.008 0.000 1.081 460 Y CB 1.089 39.526 38.460 -0.038 0.000 1.295 460 Y HN 0.148 nan 8.280 nan 0.000 0.487 461 E N 1.062 121.316 120.200 0.091 0.000 1.944 461 E HA 0.132 4.482 4.350 0.000 0.000 0.272 461 E C 0.814 177.416 176.600 0.005 0.000 1.195 461 E CA 0.134 56.553 56.400 0.032 0.000 0.926 461 E CB 0.597 30.305 29.700 0.013 0.000 1.051 461 E HN 0.958 nan 8.360 nan 0.000 0.404 462 G N 3.109 111.915 108.800 0.010 0.000 2.672 462 G HA2 -0.435 3.525 3.960 0.000 0.000 0.218 462 G HA3 -0.435 3.525 3.960 0.000 0.000 0.218 462 G C 1.654 176.542 174.900 -0.021 0.000 1.238 462 G CA 1.345 46.437 45.100 -0.013 0.000 0.791 462 G HN 0.587 nan 8.290 nan 0.000 0.606 463 S N 0.212 115.909 115.700 -0.005 0.000 2.392 463 S HA -0.196 4.275 4.470 0.000 0.000 0.232 463 S C 2.275 176.875 174.600 0.000 0.000 1.041 463 S CA 1.900 60.100 58.200 0.000 0.000 1.026 463 S CB -0.777 62.425 63.200 0.004 0.000 0.845 463 S HN 0.192 nan 8.310 nan 0.000 0.465 464 V N 2.278 122.190 119.914 -0.004 0.000 2.237 464 V HA -0.138 3.982 4.120 0.000 0.000 0.245 464 V C 2.505 178.604 176.094 0.009 0.000 1.046 464 V CA 2.036 64.337 62.300 0.002 0.000 1.007 464 V CB -0.764 31.061 31.823 0.004 0.000 0.638 464 V HN 0.479 nan 8.190 nan 0.000 0.445 465 I N -0.070 120.474 120.570 -0.042 0.000 2.208 465 I HA -0.225 3.945 4.170 0.000 0.000 0.245 465 I C 2.323 178.461 176.117 0.035 0.000 1.097 465 I CA 1.324 62.586 61.300 -0.062 0.000 1.363 465 I CB -0.400 37.312 38.000 -0.480 0.000 1.051 465 I HN 0.155 nan 8.210 nan 0.000 0.413 466 V N 0.211 120.125 119.914 0.000 0.000 2.568 466 V HA -0.296 3.824 4.120 0.000 0.000 0.253 466 V C 2.336 178.468 176.094 0.063 0.000 1.072 466 V CA 1.698 64.018 62.300 0.033 0.000 1.084 466 V CB -0.699 31.134 31.823 0.016 0.000 0.676 466 V HN 0.434 nan 8.190 nan 0.000 0.469 467 Q N 0.310 120.143 119.800 0.055 0.000 2.033 467 Q HA -0.123 4.217 4.340 0.000 0.000 0.196 467 Q C 2.296 178.340 176.000 0.073 0.000 0.970 467 Q CA 1.601 57.434 55.803 0.051 0.000 0.828 467 Q CB -0.387 28.367 28.738 0.028 0.000 0.895 467 Q HN 0.687 nan 8.270 nan 0.000 0.440 468 Q N -0.355 119.495 119.800 0.083 0.000 2.234 468 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 468 Q C 1.973 178.094 176.000 0.203 0.000 0.980 468 Q CA 1.191 57.027 55.803 0.055 0.000 0.869 468 Q CB -0.081 28.606 28.738 -0.086 0.000 0.912 468 Q HN 0.438 nan 8.270 nan 0.000 0.436 469 I N 0.136 120.887 120.570 0.301 0.000 2.277 469 I HA -0.221 3.949 4.170 0.000 0.000 0.243 469 I C 1.923 178.193 176.117 0.256 0.000 1.094 469 I CA 0.842 62.358 61.300 0.359 0.000 1.393 469 I CB -0.063 38.082 38.000 0.241 0.000 1.078 469 I HN 0.169 nan 8.210 nan 0.000 0.417 470 L N 0.620 121.934 121.223 0.153 0.000 2.456 470 L HA -0.103 4.237 4.340 0.000 0.000 0.224 470 L C 2.641 179.559 176.870 0.079 0.000 1.148 470 L CA 0.559 55.461 54.840 0.102 0.000 0.825 470 L CB -0.554 41.546 42.059 0.068 0.000 0.937 470 L HN 0.219 nan 8.230 nan 0.000 0.450 471 A N -0.275 122.594 122.820 0.081 0.000 1.855 471 A HA -0.152 4.168 4.320 0.000 0.000 0.215 471 A C 1.260 178.846 177.584 0.004 0.000 1.191 471 A CA 0.576 52.630 52.037 0.030 0.000 0.613 471 A CB -0.257 18.747 19.000 0.007 0.000 0.829 471 A HN 0.286 nan 8.150 nan 0.000 0.442 472 E N 0.326 120.533 120.200 0.012 0.000 2.328 472 E HA 0.243 4.593 4.350 0.000 0.000 0.265 472 E C 0.398 176.995 176.600 -0.005 0.000 1.057 472 E CA 0.627 56.974 56.400 -0.088 0.000 0.916 472 E CB 0.498 30.018 29.700 -0.299 0.000 0.993 472 E HN 0.281 nan 8.360 nan 0.000 0.446 473 T N 4.003 118.540 114.554 -0.028 0.000 2.990 473 T HA 0.085 4.436 4.350 0.000 0.000 0.250 473 T C 1.233 175.930 174.700 -0.005 0.000 1.041 473 T CA -0.079 62.021 62.100 -0.000 0.000 1.010 473 T CB 0.159 69.024 68.868 -0.004 0.000 1.003 473 T HN 0.292 nan 8.240 nan 0.000 0.499 474 K N 1.805 122.185 120.400 -0.034 0.000 1.965 474 K HA -0.053 4.267 4.320 0.000 0.000 0.220 474 K C 0.947 177.547 176.600 -0.000 0.000 1.046 474 K CA 1.168 57.438 56.287 -0.028 0.000 0.974 474 K CB -0.121 32.345 32.500 -0.056 0.000 0.738 474 K HN 0.101 nan 8.250 nan 0.000 0.444 475 N N 0.843 119.547 118.700 0.007 0.000 2.462 475 N HA 0.080 4.820 4.740 0.000 0.000 0.242 475 N C -2.093 173.481 175.510 0.107 0.000 1.010 475 N CA -2.034 51.049 53.050 0.055 0.000 0.939 475 N CB 1.379 39.908 38.487 0.070 0.000 1.127 475 N HN -0.057 nan 8.380 nan 0.000 0.509 476 P HA -0.140 nan 4.420 nan 0.000 0.223 476 P C 0.303 177.669 177.300 0.111 0.000 1.144 476 P CA 1.014 64.170 63.100 0.094 0.000 0.783 476 P CB 0.335 32.071 31.700 0.059 0.000 0.771 477 R N -1.895 118.670 120.500 0.110 0.000 2.313 477 R HA 0.020 4.360 4.340 0.000 0.000 0.199 477 R C 0.705 177.087 176.300 0.136 0.000 0.958 477 R CA -0.262 55.894 56.100 0.094 0.000 1.047 477 R CB -0.642 29.700 30.300 0.070 0.000 0.955 477 R HN 0.213 nan 8.270 nan 0.000 0.481 478 Y N 1.051 121.387 120.300 0.061 0.000 2.526 478 Y HA 0.285 4.835 4.550 0.000 0.000 0.330 478 Y C 0.569 176.543 175.900 0.124 0.000 1.156 478 Y CA 0.369 58.527 58.100 0.098 0.000 1.419 478 Y CB 0.637 39.159 38.460 0.104 0.000 1.250 478 Y HN 0.070 nan 8.280 nan 0.000 0.540 479 G N 4.681 113.239 108.800 -0.404 0.000 2.606 479 G HA2 0.354 4.314 3.960 0.000 0.000 0.300 479 G HA3 0.354 4.314 3.960 0.000 0.000 0.300 479 G C -2.293 172.364 174.900 -0.405 0.000 1.360 479 G CA -1.013 43.916 45.100 -0.286 0.000 0.783 479 G HN 0.602 nan 8.290 nan 0.000 0.484 480 F N 1.133 120.742 119.950 -0.569 0.000 2.427 480 F HA 0.589 5.117 4.527 0.000 0.000 0.346 480 F C -0.067 175.419 175.800 -0.523 0.000 1.120 480 F CA -1.034 56.448 58.000 -0.863 0.000 1.033 480 F CB 1.848 40.235 39.000 -1.021 0.000 1.126 480 F HN 0.373 nan 8.300 nan 0.000 0.462 481 N N 5.054 123.084 118.700 -1.116 0.000 2.645 481 N HA 0.270 5.010 4.740 0.000 0.000 0.233 481 N C 0.587 175.383 175.510 -1.190 0.000 1.058 481 N CA 0.210 52.762 53.050 -0.830 0.000 0.942 481 N CB 1.257 39.436 38.487 -0.513 0.000 1.210 481 N HN 0.740 nan 8.380 nan 0.000 0.512 482 A N 3.146 125.373 122.820 -0.988 0.000 2.139 482 A HA -0.116 4.204 4.320 0.000 0.000 0.221 482 A C 2.058 179.356 177.584 -0.477 0.000 1.159 482 A CA 1.818 53.399 52.037 -0.759 0.000 0.662 482 A CB -0.694 18.138 19.000 -0.280 0.000 0.796 482 A HN 0.718 nan 8.150 nan 0.000 0.463 483 A N -0.473 122.119 122.820 -0.381 0.000 1.854 483 A HA -0.038 4.283 4.320 0.000 0.000 0.214 483 A C 2.379 179.854 177.584 -0.183 0.000 1.192 483 A CA 2.264 54.172 52.037 -0.214 0.000 0.611 483 A CB -1.076 17.821 19.000 -0.172 0.000 0.832 483 A HN 0.809 nan 8.150 nan 0.000 0.442 484 T N -4.337 110.071 114.554 -0.244 0.000 3.065 484 T HA 0.399 4.749 4.350 0.000 0.000 0.252 484 T C 1.238 175.853 174.700 -0.143 0.000 1.099 484 T CA 1.077 63.086 62.100 -0.152 0.000 1.063 484 T CB -0.018 68.770 68.868 -0.134 0.000 0.948 484 T HN 1.811 nan 8.240 nan 0.000 0.506 485 G N 1.214 109.796 108.800 -0.362 0.000 2.256 485 G HA2 -0.171 3.789 3.960 0.000 0.000 0.272 485 G HA3 -0.171 3.789 3.960 0.000 0.000 0.272 485 G C -0.434 174.424 174.900 -0.069 0.000 1.076 485 G CA 0.068 45.026 45.100 -0.238 0.000 0.882 485 G HN 0.689 nan 8.290 nan 0.000 0.497 486 E N -1.434 118.548 120.200 -0.363 0.000 2.383 486 E HA 0.586 4.936 4.350 0.000 0.000 0.275 486 E C -0.879 175.612 176.600 -0.181 0.000 0.918 486 E CA -1.052 55.326 56.400 -0.037 0.000 0.764 486 E CB 1.364 31.071 29.700 0.011 0.000 1.252 486 E HN 0.047 nan 8.360 nan 0.000 0.449 487 F N 1.446 121.419 119.950 0.038 0.000 2.396 487 F HA 0.392 4.919 4.527 0.000 0.000 0.343 487 F C 0.608 176.354 175.800 -0.090 0.000 1.104 487 F CA -0.339 57.605 58.000 -0.093 0.000 1.161 487 F CB 1.108 40.067 39.000 -0.069 0.000 1.146 487 F HN 0.225 nan 8.300 nan 0.000 0.522 488 V N -1.100 118.775 119.914 -0.065 0.000 3.096 488 V HA 0.485 4.605 4.120 0.000 0.000 0.310 488 V C -1.362 174.745 176.094 0.023 0.000 1.438 488 V CA -1.095 61.223 62.300 0.030 0.000 1.042 488 V CB 1.750 33.558 31.823 -0.025 0.000 1.069 488 V HN 0.547 nan 8.190 nan 0.000 0.470 489 D N 1.358 121.798 120.400 0.067 0.000 2.393 489 D HA 0.240 4.880 4.640 0.000 0.000 0.232 489 D C 1.296 177.600 176.300 0.006 0.000 1.192 489 D CA -0.377 53.664 54.000 0.069 0.000 0.882 489 D CB 1.281 42.127 40.800 0.077 0.000 1.038 489 D HN 0.544 nan 8.370 nan 0.000 0.499 490 M N 2.850 122.438 119.600 -0.020 0.000 2.116 490 M HA -0.209 4.271 4.480 0.000 0.000 0.255 490 M C 1.890 178.173 176.300 -0.028 0.000 1.075 490 M CA 1.168 56.440 55.300 -0.046 0.000 1.087 490 M CB -0.820 31.753 32.600 -0.045 0.000 1.340 490 M HN 0.309 nan 8.290 nan 0.000 0.402 491 V N 0.164 120.075 119.914 -0.005 0.000 2.221 491 V HA -0.241 3.879 4.120 0.000 0.000 0.242 491 V C 2.107 178.198 176.094 -0.004 0.000 1.041 491 V CA 1.863 64.161 62.300 -0.002 0.000 0.995 491 V CB -0.825 31.004 31.823 0.009 0.000 0.635 491 V HN 0.465 nan 8.190 nan 0.000 0.448 492 E N 0.150 120.353 120.200 0.005 0.000 2.393 492 E HA -0.168 4.182 4.350 0.000 0.000 0.201 492 E C 1.799 178.395 176.600 -0.006 0.000 1.025 492 E CA 0.975 57.377 56.400 0.005 0.000 0.856 492 E CB -0.211 29.499 29.700 0.016 0.000 0.771 492 E HN 0.604 nan 8.360 nan 0.000 0.526 493 A N 0.032 122.842 122.820 -0.018 0.000 2.308 493 A HA 0.337 4.657 4.320 0.000 0.000 0.217 493 A C 1.522 179.083 177.584 -0.040 0.000 1.216 493 A CA 0.509 52.526 52.037 -0.035 0.000 0.864 493 A CB 0.094 19.058 19.000 -0.058 0.000 0.902 493 A HN 0.249 nan 8.150 nan 0.000 0.499 494 G N -0.154 108.628 108.800 -0.030 0.000 2.225 494 G HA2 -0.215 3.745 3.960 0.000 0.000 0.264 494 G HA3 -0.215 3.745 3.960 0.000 0.000 0.264 494 G C -0.007 174.870 174.900 -0.038 0.000 1.060 494 G CA 0.442 45.525 45.100 -0.029 0.000 0.833 494 G HN 0.579 nan 8.290 nan 0.000 0.498 495 I N 0.495 121.037 120.570 -0.045 0.000 2.697 495 I HA 0.362 4.533 4.170 0.000 0.000 0.279 495 I C 0.291 176.383 176.117 -0.042 0.000 1.171 495 I CA -0.745 60.522 61.300 -0.055 0.000 1.135 495 I CB 0.902 38.851 38.000 -0.085 0.000 1.445 495 I HN -0.043 nan 8.210 nan 0.000 0.541 496 V N 2.526 122.422 119.914 -0.030 0.000 3.158 496 V HA 0.613 4.733 4.120 0.000 0.000 0.315 496 V C -0.662 175.421 176.094 -0.019 0.000 1.148 496 V CA -0.704 61.584 62.300 -0.021 0.000 1.042 496 V CB 2.730 34.544 31.823 -0.014 0.000 1.101 496 V HN 0.367 nan 8.190 nan 0.000 0.448 497 D N 0.002 120.393 120.400 -0.014 0.000 2.859 497 D HA 0.380 5.021 4.640 0.000 0.000 0.223 497 D C -3.023 173.272 176.300 -0.008 0.000 1.218 497 D CA -1.264 52.729 54.000 -0.012 0.000 0.850 497 D CB 2.632 43.425 40.800 -0.012 0.000 1.656 497 D HN 0.212 nan 8.370 nan 0.000 0.484 498 P HA 0.090 nan 4.420 nan 0.000 0.265 498 P C 0.475 177.772 177.300 -0.004 0.000 1.222 498 P CA 0.033 63.129 63.100 -0.006 0.000 0.767 498 P CB 0.588 32.283 31.700 -0.008 0.000 0.801 499 A N 5.117 127.935 122.820 -0.002 0.000 2.032 499 A HA -0.265 4.055 4.320 0.000 0.000 0.221 499 A C 2.097 179.681 177.584 0.000 0.000 1.165 499 A CA 1.660 53.697 52.037 0.000 0.000 0.645 499 A CB -0.923 18.079 19.000 0.002 0.000 0.807 499 A HN 0.511 nan 8.150 nan 0.000 0.453 500 K N -0.272 120.127 120.400 -0.001 0.000 2.057 500 K HA -0.089 4.231 4.320 0.000 0.000 0.207 500 K C 1.808 178.407 176.600 -0.002 0.000 1.049 500 K CA 1.544 57.831 56.287 -0.001 0.000 0.931 500 K CB -0.275 32.224 32.500 -0.002 0.000 0.714 500 K HN 0.265 nan 8.250 nan 0.000 0.440 501 V N 1.055 120.967 119.914 -0.003 0.000 2.255 501 V HA -0.279 3.841 4.120 0.000 0.000 0.247 501 V C 2.257 178.350 176.094 -0.002 0.000 1.051 501 V CA 2.389 64.687 62.300 -0.004 0.000 1.018 501 V CB -0.828 30.991 31.823 -0.006 0.000 0.641 501 V HN 0.466 nan 8.190 nan 0.000 0.445 502 T N -0.161 114.392 114.554 -0.002 0.000 2.595 502 T HA -0.281 4.070 4.350 0.000 0.000 0.264 502 T C 2.037 176.738 174.700 0.001 0.000 1.058 502 T CA 2.085 64.185 62.100 -0.000 0.000 1.166 502 T CB -0.383 68.485 68.868 0.001 0.000 0.863 502 T HN 0.423 nan 8.240 nan 0.000 0.415 503 R N 0.723 121.224 120.500 0.002 0.000 2.133 503 R HA -0.161 4.179 4.340 0.000 0.000 0.247 503 R C 2.449 178.750 176.300 0.002 0.000 1.151 503 R CA 1.994 58.096 56.100 0.003 0.000 0.971 503 R CB -0.374 29.928 30.300 0.003 0.000 0.866 503 R HN 0.290 nan 8.270 nan 0.000 0.447 504 S N 0.336 116.037 115.700 0.001 0.000 2.338 504 S HA -0.070 4.400 4.470 0.000 0.000 0.218 504 S C 2.066 176.667 174.600 0.001 0.000 1.032 504 S CA 0.983 59.184 58.200 0.001 0.000 0.999 504 S CB -0.421 62.779 63.200 0.000 0.000 0.905 504 S HN 0.584 nan 8.310 nan 0.000 0.439 505 A N 1.605 124.425 122.820 0.001 0.000 1.915 505 A HA -0.190 4.130 4.320 0.000 0.000 0.220 505 A C 2.152 179.738 177.584 0.002 0.000 1.198 505 A CA 1.914 53.952 52.037 0.001 0.000 0.647 505 A CB -0.979 18.021 19.000 0.001 0.000 0.825 505 A HN 0.395 nan 8.150 nan 0.000 0.456 506 L N -0.578 120.646 121.223 0.003 0.000 1.948 506 L HA -0.216 4.125 4.340 0.000 0.000 0.212 506 L C 2.602 179.474 176.870 0.003 0.000 1.074 506 L CA 2.625 57.467 54.840 0.003 0.000 0.753 506 L CB -0.962 41.099 42.059 0.004 0.000 0.888 506 L HN 0.532 nan 8.230 nan 0.000 0.432 507 Q N -0.530 119.272 119.800 0.003 0.000 2.173 507 Q HA -0.254 4.087 4.340 0.000 0.000 0.208 507 Q C 2.029 178.031 176.000 0.002 0.000 0.989 507 Q CA 1.982 57.787 55.803 0.003 0.000 0.872 507 Q CB -0.303 28.436 28.738 0.002 0.000 0.909 507 Q HN 0.582 nan 8.270 nan 0.000 0.420 508 N N -0.043 118.658 118.700 0.002 0.000 2.080 508 N HA -0.113 4.627 4.740 0.000 0.000 0.189 508 N C 1.697 177.208 175.510 0.002 0.000 1.036 508 N CA 1.320 54.371 53.050 0.002 0.000 0.846 508 N CB -0.399 38.089 38.487 0.002 0.000 1.015 508 N HN 0.245 nan 8.380 nan 0.000 0.423 509 A N 1.422 124.243 122.820 0.002 0.000 1.859 509 A HA -0.090 4.230 4.320 0.000 0.000 0.217 509 A C 2.361 179.947 177.584 0.003 0.000 1.198 509 A CA 2.402 54.440 52.037 0.003 0.000 0.629 509 A CB -1.127 17.875 19.000 0.003 0.000 0.830 509 A HN 0.338 nan 8.150 nan 0.000 0.446 510 A N -1.103 121.718 122.820 0.003 0.000 2.084 510 A HA -0.119 4.201 4.320 0.000 0.000 0.221 510 A C 2.408 179.994 177.584 0.003 0.000 1.161 510 A CA 2.254 54.293 52.037 0.003 0.000 0.653 510 A CB -0.787 18.215 19.000 0.004 0.000 0.802 510 A HN 0.561 nan 8.150 nan 0.000 0.457 511 S N -0.644 115.057 115.700 0.002 0.000 2.357 511 S HA -0.041 4.429 4.470 0.000 0.000 0.221 511 S C 1.885 176.485 174.600 0.001 0.000 1.031 511 S CA 1.075 59.276 58.200 0.001 0.000 0.982 511 S CB -0.415 62.785 63.200 0.001 0.000 0.853 511 S HN 0.522 nan 8.310 nan 0.000 0.458 512 I N 1.368 121.939 120.570 0.001 0.000 2.208 512 I HA -0.130 4.040 4.170 0.000 0.000 0.245 512 I C 2.639 178.757 176.117 0.002 0.000 1.097 512 I CA 1.167 62.467 61.300 0.001 0.000 1.363 512 I CB -0.984 37.017 38.000 0.001 0.000 1.051 512 I HN 0.440 nan 8.210 nan 0.000 0.413 513 G N 0.717 109.519 108.800 0.003 0.000 2.514 513 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 513 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 513 G C 1.856 176.758 174.900 0.003 0.000 1.198 513 G CA 1.016 46.118 45.100 0.003 0.000 0.780 513 G HN 0.502 nan 8.290 nan 0.000 0.565 514 A N 0.191 123.013 122.820 0.003 0.000 1.940 514 A HA -0.003 4.317 4.320 0.000 0.000 0.219 514 A C 2.387 179.972 177.584 0.003 0.000 1.176 514 A CA 1.885 53.924 52.037 0.003 0.000 0.631 514 A CB -0.440 18.561 19.000 0.003 0.000 0.814 514 A HN 0.501 nan 8.150 nan 0.000 0.446 515 L N 0.001 121.225 121.223 0.001 0.000 1.994 515 L HA -0.139 4.201 4.340 0.000 0.000 0.208 515 L C 2.292 179.162 176.870 0.000 0.000 1.071 515 L CA 1.998 56.838 54.840 0.000 0.000 0.745 515 L CB -0.442 41.616 42.059 -0.001 0.000 0.892 515 L HN 0.443 nan 8.230 nan 0.000 0.431 516 I N -0.832 119.739 120.570 0.001 0.000 2.208 516 I HA -0.337 3.833 4.170 0.000 0.000 0.245 516 I C 2.393 178.513 176.117 0.004 0.000 1.097 516 I CA 1.424 62.724 61.300 0.001 0.000 1.363 516 I CB -0.389 37.612 38.000 0.002 0.000 1.051 516 I HN 0.298 nan 8.210 nan 0.000 0.413 517 L N -0.024 121.202 121.223 0.005 0.000 2.127 517 L HA -0.184 4.156 4.340 0.000 0.000 0.211 517 L C 2.141 179.017 176.870 0.009 0.000 1.089 517 L CA 1.405 56.250 54.840 0.008 0.000 0.757 517 L CB -0.980 41.083 42.059 0.007 0.000 0.899 517 L HN 0.263 nan 8.230 nan 0.000 0.434 518 T N -1.591 112.967 114.554 0.007 0.000 3.129 518 T HA 0.009 4.359 4.350 0.000 0.000 0.251 518 T C 0.784 175.488 174.700 0.008 0.000 1.117 518 T CA 0.216 62.320 62.100 0.008 0.000 1.034 518 T CB -0.146 68.725 68.868 0.006 0.000 0.968 518 T HN 0.188 nan 8.240 nan 0.000 0.526 519 T N 2.937 117.494 114.554 0.005 0.000 2.761 519 T HA 0.167 4.517 4.350 0.000 0.000 0.296 519 T C 0.739 175.444 174.700 0.008 0.000 0.934 519 T CA -0.299 61.800 62.100 -0.001 0.000 1.091 519 T CB 1.013 69.875 68.868 -0.010 0.000 0.896 519 T HN 0.057 nan 8.240 nan 0.000 0.515 520 E N 1.065 121.272 120.200 0.010 0.000 2.511 520 E HA 0.426 4.776 4.350 0.000 0.000 0.209 520 E C 0.314 176.929 176.600 0.025 0.000 0.986 520 E CA -0.004 56.423 56.400 0.045 0.000 0.974 520 E CB 0.912 30.655 29.700 0.071 0.000 1.030 520 E HN 0.753 nan 8.360 nan 0.000 0.490 521 A N 0.196 122.965 122.820 -0.084 0.000 2.590 521 A HA 0.533 4.854 4.320 0.000 0.000 0.294 521 A C -1.429 176.010 177.584 -0.243 0.000 1.046 521 A CA -0.392 51.470 52.037 -0.292 0.000 0.684 521 A CB 1.217 19.941 19.000 -0.460 0.000 1.279 521 A HN 0.133 nan 8.150 nan 0.000 0.415 522 V N -0.641 119.090 119.914 -0.305 0.000 2.668 522 V HA 0.792 4.912 4.120 0.000 0.000 0.304 522 V C -1.155 174.816 176.094 -0.205 0.000 1.071 522 V CA -0.638 61.547 62.300 -0.190 0.000 0.894 522 V CB 1.464 33.218 31.823 -0.116 0.000 1.008 522 V HN 1.210 nan 8.190 nan 0.000 0.425 523 V N 5.521 125.345 119.914 -0.149 0.000 2.304 523 V HA 0.826 4.947 4.120 0.000 0.000 0.269 523 V C 0.905 176.945 176.094 -0.090 0.000 1.036 523 V CA 0.402 62.628 62.300 -0.123 0.000 0.840 523 V CB 0.471 32.236 31.823 -0.097 0.000 1.036 523 V HN 1.328 nan 8.190 nan 0.000 0.466 524 A N 4.178 126.943 122.820 -0.092 0.000 2.256 524 A HA 0.762 5.082 4.320 0.000 0.000 0.318 524 A C 0.081 177.571 177.584 -0.158 0.000 1.103 524 A CA -0.667 51.310 52.037 -0.101 0.000 0.860 524 A CB 0.681 19.638 19.000 -0.073 0.000 1.182 524 A HN 0.629 nan 8.150 nan 0.000 0.501 525 E N 0.650 120.691 120.200 -0.266 0.000 2.283 525 E HA 0.225 4.575 4.350 0.000 0.000 0.278 525 E C -0.637 175.693 176.600 -0.450 0.000 1.027 525 E CA -0.489 55.723 56.400 -0.314 0.000 0.843 525 E CB 1.396 30.912 29.700 -0.305 0.000 1.062 525 E HN 0.447 nan 8.360 nan 0.000 0.401 526 K N 3.406 123.663 120.400 -0.239 0.000 2.270 526 K HA 0.207 4.527 4.320 0.000 0.000 0.276 526 K C -2.235 174.286 176.600 -0.132 0.000 1.023 526 K CA -1.283 54.910 56.287 -0.156 0.000 0.955 526 K CB -0.074 32.385 32.500 -0.069 0.000 0.975 526 K HN 0.163 nan 8.250 nan 0.000 0.471 527 P HA 0.000 nan 4.420 nan 0.000 0.216 527 P CA 0.000 63.170 63.100 0.117 0.000 0.800 527 P CB 0.000 31.764 31.700 0.107 0.000 0.726