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 1vz8_1_B DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEXL DATA SEQUENCE IASTGVIGRQ YPXESIREHL KTLEWPAGEG GFDRAARAIX TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGXLEP DXATLLTFFA TDARLDPAEQ DRLFRRVXDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE XAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSEYTT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.812 174.700 0.187 0.000 1.109 8 T CA 0.000 62.201 62.100 0.169 0.000 1.349 8 T CB 0.000 68.923 68.868 0.092 0.000 0.612 9 P HA 0.460 nan 4.420 nan 0.000 0.271 9 P C 0.135 177.675 177.300 0.399 0.000 1.233 9 P CA 0.315 63.579 63.100 0.274 0.000 0.764 9 P CB 0.105 31.931 31.700 0.209 0.000 0.825 10 R N 2.370 123.031 120.500 0.270 0.000 2.583 10 R HA 0.300 4.640 4.340 -0.000 0.000 0.274 10 R C 1.581 177.977 176.300 0.159 0.000 0.998 10 R CA 0.536 56.749 56.100 0.187 0.000 1.081 10 R CB -1.693 28.672 30.300 0.108 0.000 0.940 10 R HN 0.919 nan 8.270 nan 0.000 0.413 11 G N -0.062 108.767 108.800 0.048 0.000 2.179 11 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 11 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 11 G C -0.072 174.680 174.900 -0.246 0.000 0.977 11 G CA 0.426 45.444 45.100 -0.138 0.000 0.641 11 G HN 0.867 nan 8.290 nan 0.000 0.533 12 F N 0.720 120.741 119.950 0.117 0.000 2.427 12 F HA 0.629 5.156 4.527 -0.000 0.000 0.346 12 F C 0.657 176.481 175.800 0.039 0.000 1.120 12 F CA -0.676 57.393 58.000 0.114 0.000 1.033 12 F CB 2.038 41.189 39.000 0.252 0.000 1.126 12 F HN 0.267 nan 8.300 nan 0.000 0.462 13 V N 1.108 121.123 119.914 0.168 0.000 2.919 13 V HA 0.873 4.992 4.120 -0.000 0.000 0.316 13 V C -0.904 175.154 176.094 -0.060 0.000 1.077 13 V CA -0.996 61.346 62.300 0.070 0.000 0.977 13 V CB 1.813 33.745 31.823 0.181 0.000 1.039 13 V HN 0.428 nan 8.190 nan 0.000 0.441 14 V N 2.365 122.209 119.914 -0.117 0.000 2.525 14 V HA 0.453 4.573 4.120 -0.000 0.000 0.299 14 V C -0.851 175.205 176.094 -0.063 0.000 1.034 14 V CA -0.377 61.822 62.300 -0.169 0.000 0.863 14 V CB 1.345 32.975 31.823 -0.321 0.000 0.999 14 V HN 1.166 nan 8.190 nan 0.000 0.423 15 H N 3.178 122.174 119.070 -0.122 0.000 2.459 15 H HA 0.774 5.330 4.556 -0.000 0.000 0.332 15 H C -0.189 175.116 175.328 -0.039 0.000 1.094 15 H CA 0.059 56.076 56.048 -0.051 0.000 1.224 15 H CB 1.601 31.344 29.762 -0.031 0.000 1.449 15 H HN 0.763 nan 8.280 nan 0.000 0.484 16 T N 2.550 116.867 114.554 -0.394 0.000 2.971 16 T HA 0.802 5.152 4.350 -0.000 0.000 0.304 16 T C -0.931 173.638 174.700 -0.220 0.000 1.038 16 T CA -0.461 61.531 62.100 -0.179 0.000 1.007 16 T CB 1.459 70.259 68.868 -0.114 0.000 1.055 16 T HN 0.832 nan 8.240 nan 0.000 0.451 17 A N 3.247 126.052 122.820 -0.025 0.000 2.609 17 A HA 0.953 5.273 4.320 -0.000 0.000 0.291 17 A C -3.181 174.359 177.584 -0.075 0.000 1.096 17 A CA -1.750 50.246 52.037 -0.069 0.000 0.684 17 A CB 1.624 20.582 19.000 -0.070 0.000 1.282 17 A HN 0.653 nan 8.150 nan 0.000 0.412 18 P HA 0.320 nan 4.420 nan 0.000 0.291 18 P C -0.105 177.093 177.300 -0.170 0.000 1.378 18 P CA 0.003 63.046 63.100 -0.095 0.000 0.853 18 P CB 1.244 32.908 31.700 -0.060 0.000 1.002 19 V N 2.661 122.478 119.914 -0.161 0.000 3.650 19 V HA 0.211 4.331 4.120 -0.000 0.000 0.271 19 V C 1.625 177.660 176.094 -0.099 0.000 1.281 19 V CA 0.984 63.156 62.300 -0.214 0.000 1.120 19 V CB -0.853 30.800 31.823 -0.283 0.000 0.856 19 V HN 0.864 nan 8.190 nan 0.000 0.443 20 G N 0.821 109.591 108.800 -0.050 0.000 2.291 20 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.271 20 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.271 20 G C 0.483 175.391 174.900 0.013 0.000 1.099 20 G CA 0.438 45.528 45.100 -0.017 0.000 0.919 20 G HN 0.461 nan 8.290 nan 0.000 0.496 21 L N -0.792 120.452 121.223 0.034 0.000 2.478 21 L HA 0.428 4.768 4.340 -0.000 0.000 0.223 21 L C 1.576 178.486 176.870 0.066 0.000 1.140 21 L CA 1.226 56.110 54.840 0.075 0.000 0.842 21 L CB -0.006 42.117 42.059 0.108 0.000 0.953 21 L HN 0.720 nan 8.230 nan 0.000 0.452 22 A N -0.859 121.987 122.820 0.045 0.000 2.455 22 A HA 0.338 4.658 4.320 -0.000 0.000 0.300 22 A C -1.199 176.401 177.584 0.026 0.000 1.040 22 A CA -0.582 51.479 52.037 0.040 0.000 0.697 22 A CB 1.082 20.108 19.000 0.044 0.000 1.265 22 A HN 0.001 nan 8.150 nan 0.000 0.407 23 D N 2.029 122.442 120.400 0.023 0.000 2.551 23 D HA 0.311 4.951 4.640 -0.000 0.000 0.223 23 D C 0.068 176.376 176.300 0.014 0.000 1.144 23 D CA 0.615 54.623 54.000 0.014 0.000 1.025 23 D CB 0.317 41.124 40.800 0.012 0.000 1.085 23 D HN 0.457 nan 8.370 nan 0.000 0.506 24 D N 0.785 121.192 120.400 0.012 0.000 2.523 24 D HA 0.116 4.755 4.640 -0.000 0.000 0.269 24 D C 1.453 177.756 176.300 0.005 0.000 1.374 24 D CA 0.177 54.184 54.000 0.011 0.000 0.820 24 D CB -0.445 40.367 40.800 0.018 0.000 1.211 24 D HN 0.317 nan 8.370 nan 0.000 0.502 25 G N 1.007 109.807 108.800 -0.001 0.000 2.196 25 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.268 25 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.268 25 G C 0.453 175.347 174.900 -0.010 0.000 0.975 25 G CA 0.397 45.492 45.100 -0.008 0.000 0.648 25 G HN 0.543 nan 8.290 nan 0.000 0.538 26 R N 1.143 121.642 120.500 -0.003 0.000 2.641 26 R HA 0.219 4.558 4.340 -0.000 0.000 0.269 26 R C -0.544 175.753 176.300 -0.005 0.000 1.074 26 R CA -0.327 55.772 56.100 -0.002 0.000 1.133 26 R CB 0.128 30.432 30.300 0.007 0.000 1.029 26 R HN 0.156 nan 8.270 nan 0.000 0.488 27 D N 2.615 123.011 120.400 -0.008 0.000 2.363 27 D HA -0.011 4.629 4.640 -0.000 0.000 0.263 27 D C 0.303 176.611 176.300 0.013 0.000 1.258 27 D CA 0.431 54.426 54.000 -0.008 0.000 0.907 27 D CB 0.758 41.547 40.800 -0.018 0.000 1.107 27 D HN 0.429 nan 8.370 nan 0.000 0.495 28 D N 1.057 121.477 120.400 0.034 0.000 2.503 28 D HA 0.028 4.668 4.640 -0.000 0.000 0.218 28 D C -0.219 176.139 176.300 0.097 0.000 1.183 28 D CA -0.457 53.575 54.000 0.054 0.000 0.827 28 D CB -0.325 40.507 40.800 0.053 0.000 1.034 28 D HN 0.175 nan 8.370 nan 0.000 0.510 29 F N 1.578 121.485 119.950 -0.072 0.000 2.434 29 F HA 0.556 5.083 4.527 -0.000 0.000 0.355 29 F C -1.027 174.770 175.800 -0.004 0.000 1.115 29 F CA -0.254 57.707 58.000 -0.064 0.000 1.010 29 F CB 1.758 40.677 39.000 -0.134 0.000 1.234 29 F HN -0.302 nan 8.300 nan 0.000 0.439 30 T N 5.272 119.577 114.554 -0.414 0.000 2.863 30 T HA 0.682 5.032 4.350 -0.000 0.000 0.285 30 T C -1.175 173.262 174.700 -0.438 0.000 1.009 30 T CA -0.673 61.253 62.100 -0.289 0.000 0.989 30 T CB 1.977 70.734 68.868 -0.185 0.000 1.004 30 T HN 0.261 nan 8.240 nan 0.000 0.455 31 V N 3.649 123.408 119.914 -0.257 0.000 2.482 31 V HA 0.477 4.597 4.120 -0.000 0.000 0.295 31 V C -0.992 174.967 176.094 -0.225 0.000 1.026 31 V CA -0.852 61.277 62.300 -0.284 0.000 0.856 31 V CB 1.549 33.211 31.823 -0.269 0.000 1.001 31 V HN 0.699 nan 8.190 nan 0.000 0.424 32 L N 5.139 126.203 121.223 -0.266 0.000 2.287 32 L HA 0.970 5.310 4.340 -0.000 0.000 0.287 32 L C 0.006 176.727 176.870 -0.248 0.000 1.022 32 L CA -0.022 54.684 54.840 -0.224 0.000 0.814 32 L CB 0.964 42.895 42.059 -0.213 0.000 1.217 32 L HN 0.818 nan 8.230 nan 0.000 0.420 33 A N 3.143 125.870 122.820 -0.156 0.000 2.539 33 A HA 0.771 5.091 4.320 -0.000 0.000 0.296 33 A C -1.182 176.387 177.584 -0.027 0.000 1.073 33 A CA -0.528 51.403 52.037 -0.177 0.000 0.700 33 A CB 1.752 20.573 19.000 -0.298 0.000 1.296 33 A HN 0.636 nan 8.150 nan 0.000 0.405 34 S N -0.212 115.396 115.700 -0.153 0.000 2.451 34 S HA 0.455 4.924 4.470 -0.000 0.000 0.301 34 S C 1.311 175.871 174.600 -0.067 0.000 1.116 34 S CA 0.243 58.214 58.200 -0.381 0.000 1.093 34 S CB 0.724 63.506 63.200 -0.697 0.000 1.017 34 S HN 1.307 nan 8.310 nan 0.000 0.482 35 T N 2.328 116.812 114.554 -0.117 0.000 3.007 35 T HA 0.237 4.587 4.350 -0.000 0.000 0.270 35 T C 0.695 175.284 174.700 -0.185 0.000 1.107 35 T CA 0.657 62.625 62.100 -0.221 0.000 1.118 35 T CB -0.179 68.491 68.868 -0.330 0.000 0.889 35 T HN 0.702 nan 8.240 nan 0.000 0.506 36 A N 1.477 124.189 122.820 -0.181 0.000 2.350 36 A HA 0.770 5.090 4.320 -0.000 0.000 0.318 36 A C -2.911 174.616 177.584 -0.095 0.000 1.132 36 A CA -2.483 49.475 52.037 -0.132 0.000 0.811 36 A CB 0.892 19.812 19.000 -0.134 0.000 1.313 36 A HN 0.099 nan 8.150 nan 0.000 0.454 37 P HA 0.366 nan 4.420 nan 0.000 0.269 37 P C -0.760 176.547 177.300 0.010 0.000 1.209 37 P CA 0.498 63.595 63.100 -0.006 0.000 0.776 37 P CB 0.916 32.617 31.700 0.001 0.000 0.876 38 A N 1.646 124.505 122.820 0.065 0.000 2.398 38 A HA 0.613 4.932 4.320 -0.000 0.000 0.301 38 A C -0.286 177.389 177.584 0.151 0.000 1.041 38 A CA -0.471 51.648 52.037 0.136 0.000 0.711 38 A CB 0.800 19.946 19.000 0.244 0.000 1.240 38 A HN 0.507 nan 8.150 nan 0.000 0.420 39 T N -0.274 114.348 114.554 0.112 0.000 2.832 39 T HA 0.525 4.875 4.350 -0.000 0.000 0.296 39 T C -0.117 174.622 174.700 0.065 0.000 0.968 39 T CA -0.506 61.635 62.100 0.069 0.000 1.107 39 T CB 1.075 69.957 68.868 0.024 0.000 0.916 39 T HN 1.185 nan 8.240 nan 0.000 0.517 40 V N 2.530 122.461 119.914 0.029 0.000 2.667 40 V HA 0.738 4.858 4.120 -0.000 0.000 0.308 40 V C -0.623 175.370 176.094 -0.169 0.000 1.048 40 V CA -0.516 61.734 62.300 -0.083 0.000 0.928 40 V CB 2.375 34.163 31.823 -0.058 0.000 1.004 40 V HN 1.141 nan 8.190 nan 0.000 0.444 41 S N 4.213 119.687 115.700 -0.377 0.000 2.594 41 S HA 0.914 5.384 4.470 -0.000 0.000 0.296 41 S C -0.599 173.568 174.600 -0.723 0.000 1.124 41 S CA -0.112 57.815 58.200 -0.455 0.000 1.011 41 S CB 1.551 64.407 63.200 -0.574 0.000 1.016 41 S HN 1.321 nan 8.310 nan 0.000 0.485 42 A N 2.179 124.811 122.820 -0.314 0.000 2.587 42 A HA 0.938 5.258 4.320 -0.000 0.000 0.293 42 A C -1.012 176.378 177.584 -0.322 0.000 1.087 42 A CA -0.910 50.928 52.037 -0.332 0.000 0.692 42 A CB 1.314 20.114 19.000 -0.333 0.000 1.291 42 A HN 1.211 nan 8.150 nan 0.000 0.407 43 V N -1.607 117.926 119.914 -0.635 0.000 2.971 43 V HA 0.964 5.084 4.120 -0.000 0.000 0.309 43 V C -1.121 174.421 176.094 -0.920 0.000 1.130 43 V CA -0.952 61.028 62.300 -0.533 0.000 0.964 43 V CB 1.188 32.914 31.823 -0.162 0.000 1.029 43 V HN 0.870 nan 8.190 nan 0.000 0.427 44 F N -0.444 119.539 119.950 0.055 0.000 2.626 44 F HA 0.745 5.272 4.527 -0.000 0.000 0.311 44 F C 0.646 176.465 175.800 0.031 0.000 1.088 44 F CA -0.716 57.306 58.000 0.037 0.000 0.949 44 F CB 1.763 40.789 39.000 0.043 0.000 1.322 44 F HN 0.768 nan 8.300 nan 0.000 0.461 45 T N 0.102 114.795 114.554 0.231 0.000 2.785 45 T HA 0.076 4.426 4.350 -0.000 0.000 0.341 45 T C 0.839 175.620 174.700 0.135 0.000 1.093 45 T CA 0.428 62.613 62.100 0.142 0.000 1.103 45 T CB 0.393 69.333 68.868 0.119 0.000 1.011 45 T HN 0.729 nan 8.240 nan 0.000 0.549 46 R N 1.035 121.592 120.500 0.096 0.000 2.535 46 R HA 0.219 4.559 4.340 -0.000 0.000 0.323 46 R C 0.670 177.011 176.300 0.068 0.000 0.979 46 R CA -0.251 55.896 56.100 0.078 0.000 1.120 46 R CB 0.371 30.709 30.300 0.065 0.000 1.306 46 R HN 0.610 nan 8.270 nan 0.000 0.540 47 S N 1.042 116.791 115.700 0.083 0.000 2.599 47 S HA -0.078 4.391 4.470 -0.000 0.000 0.303 47 S C 1.394 176.046 174.600 0.086 0.000 1.267 47 S CA 0.029 58.290 58.200 0.101 0.000 1.055 47 S CB 0.510 63.786 63.200 0.127 0.000 0.790 47 S HN 0.248 nan 8.310 nan 0.000 0.500 48 R N 3.103 123.662 120.500 0.099 0.000 2.235 48 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 48 R C 0.344 176.585 176.300 -0.098 0.000 1.059 48 R CA 0.965 57.070 56.100 0.009 0.000 0.997 48 R CB -0.320 29.996 30.300 0.027 0.000 0.884 48 R HN 0.672 nan 8.270 nan 0.000 0.462 49 F N 0.719 120.675 119.950 0.010 0.000 2.925 49 F HA 0.334 4.861 4.527 -0.001 0.000 0.302 49 F C 0.531 176.335 175.800 0.006 0.000 1.189 49 F CA -0.639 57.364 58.000 0.006 0.000 1.346 49 F CB 0.309 39.313 39.000 0.006 0.000 0.954 49 F HN -0.155 nan 8.300 nan 0.000 0.506 50 A N 0.628 123.499 122.820 0.085 0.000 2.454 50 A HA 0.510 4.830 4.320 -0.000 0.000 0.260 50 A C 1.007 178.615 177.584 0.039 0.000 1.106 50 A CA 0.110 52.187 52.037 0.067 0.000 0.780 50 A CB -0.296 18.728 19.000 0.039 0.000 1.044 50 A HN 0.461 nan 8.150 nan 0.000 0.498 51 G N 2.790 111.620 108.800 0.050 0.000 2.614 51 G HA2 0.355 4.315 3.960 -0.000 0.000 0.239 51 G HA3 0.355 4.315 3.960 -0.000 0.000 0.239 51 G C -0.748 174.152 174.900 -0.000 0.000 1.240 51 G CA -0.455 44.661 45.100 0.026 0.000 0.842 51 G HN 0.560 nan 8.290 nan 0.000 0.584 52 P HA -0.137 nan 4.420 nan 0.000 0.217 52 P C 1.931 179.223 177.300 -0.013 0.000 1.148 52 P CA 1.391 64.482 63.100 -0.015 0.000 0.828 52 P CB 0.144 31.839 31.700 -0.008 0.000 0.783 53 S N -0.082 115.625 115.700 0.012 0.000 2.365 53 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 53 S C 2.094 176.673 174.600 -0.035 0.000 1.039 53 S CA 1.574 59.790 58.200 0.027 0.000 1.033 53 S CB -1.139 62.108 63.200 0.078 0.000 0.887 53 S HN -0.002 nan 8.310 nan 0.000 0.447 54 V N 1.467 121.345 119.914 -0.059 0.000 2.407 54 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 54 V C 2.247 178.157 176.094 -0.307 0.000 1.055 54 V CA 1.422 63.605 62.300 -0.194 0.000 1.049 54 V CB -0.763 31.000 31.823 -0.100 0.000 0.662 54 V HN 0.359 nan 8.190 nan 0.000 0.455 55 V N -0.098 119.716 119.914 -0.167 0.000 2.343 55 V HA -0.267 3.852 4.120 -0.000 0.000 0.247 55 V C 2.303 178.308 176.094 -0.148 0.000 1.051 55 V CA 1.922 64.135 62.300 -0.146 0.000 1.036 55 V CB -0.675 31.101 31.823 -0.079 0.000 0.654 55 V HN 0.442 nan 8.190 nan 0.000 0.451 56 L N -0.811 120.346 121.223 -0.110 0.000 2.046 56 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 56 L C 2.726 179.536 176.870 -0.100 0.000 1.077 56 L CA 1.570 56.367 54.840 -0.073 0.000 0.747 56 L CB -0.890 41.153 42.059 -0.027 0.000 0.896 56 L HN 0.390 nan 8.230 nan 0.000 0.432 57 C N 0.012 119.202 119.300 -0.183 0.000 2.413 57 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 57 C C 2.967 177.807 174.990 -0.251 0.000 1.236 57 C CA 0.754 59.650 59.018 -0.204 0.000 1.735 57 C CB -0.974 26.546 27.740 -0.367 0.000 2.031 57 C HN 0.444 nan 8.230 nan 0.000 0.474 58 R N 0.708 120.916 120.500 -0.486 0.000 2.103 58 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 58 R C 2.055 178.334 176.300 -0.034 0.000 1.142 58 R CA 1.770 57.740 56.100 -0.217 0.000 0.960 58 R CB -0.404 29.777 30.300 -0.199 0.000 0.858 58 R HN 0.698 nan 8.270 nan 0.000 0.439 59 E N 0.268 120.437 120.200 -0.053 0.000 2.107 59 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 59 E C 2.053 178.665 176.600 0.020 0.000 0.982 59 E CA 0.915 57.311 56.400 -0.008 0.000 0.809 59 E CB -0.076 29.614 29.700 -0.017 0.000 0.756 59 E HN 0.356 nan 8.360 nan 0.000 0.459 60 A N 1.485 124.319 122.820 0.022 0.000 1.933 60 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 60 A C 2.444 180.078 177.584 0.084 0.000 1.175 60 A CA 1.545 53.616 52.037 0.056 0.000 0.628 60 A CB -0.587 18.454 19.000 0.068 0.000 0.814 60 A HN 0.236 nan 8.150 nan 0.000 0.444 61 V N -3.528 116.450 119.914 0.106 0.000 3.649 61 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 61 V C 2.095 178.246 176.094 0.096 0.000 1.281 61 V CA 0.811 63.182 62.300 0.120 0.000 1.143 61 V CB -0.934 30.999 31.823 0.184 0.000 0.892 61 V HN 0.460 nan 8.190 nan 0.000 0.441 62 A N 2.573 125.441 122.820 0.080 0.000 1.883 62 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 62 A C 1.939 179.556 177.584 0.054 0.000 1.186 62 A CA 2.199 54.275 52.037 0.065 0.000 0.624 62 A CB -0.856 18.173 19.000 0.049 0.000 0.822 62 A HN 0.782 nan 8.150 nan 0.000 0.444 63 D N -1.908 118.522 120.400 0.050 0.000 2.363 63 D HA 0.224 4.864 4.640 -0.000 0.000 0.226 63 D C 1.213 177.539 176.300 0.043 0.000 1.020 63 D CA 1.105 55.130 54.000 0.042 0.000 0.892 63 D CB -0.713 40.110 40.800 0.039 0.000 0.900 63 D HN 0.924 nan 8.370 nan 0.000 0.531 64 G N -0.348 108.482 108.800 0.049 0.000 2.179 64 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 64 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 64 G C 0.105 175.037 174.900 0.054 0.000 0.977 64 G CA 0.320 45.446 45.100 0.042 0.000 0.641 64 G HN 0.564 nan 8.290 nan 0.000 0.533 65 Q N 0.184 120.024 119.800 0.067 0.000 2.331 65 Q HA 0.812 5.152 4.340 -0.000 0.000 0.267 65 Q C -0.164 175.905 176.000 0.114 0.000 1.006 65 Q CA 0.548 56.401 55.803 0.083 0.000 0.818 65 Q CB 1.789 30.565 28.738 0.062 0.000 1.276 65 Q HN 1.367 nan 8.270 nan 0.000 0.450 66 A N 3.206 126.127 122.820 0.168 0.000 2.589 66 A HA 0.606 4.926 4.320 -0.000 0.000 0.296 66 A C -0.697 177.038 177.584 0.252 0.000 1.062 66 A CA -0.602 51.574 52.037 0.232 0.000 0.686 66 A CB 1.413 20.613 19.000 0.335 0.000 1.282 66 A HN 0.794 nan 8.150 nan 0.000 0.404 67 R N 0.228 120.808 120.500 0.134 0.000 2.373 67 R HA 0.405 4.745 4.340 -0.000 0.000 0.221 67 R C 0.780 176.903 176.300 -0.295 0.000 0.893 67 R CA 0.713 56.800 56.100 -0.020 0.000 1.049 67 R CB 1.314 31.616 30.300 0.002 0.000 1.119 67 R HN 1.086 nan 8.270 nan 0.000 0.535 68 G N -0.321 108.283 108.800 -0.327 0.000 2.490 68 G HA2 0.391 4.351 3.960 -0.000 0.000 0.308 68 G HA3 0.391 4.351 3.960 -0.000 0.000 0.308 68 G C -1.993 172.803 174.900 -0.173 0.000 1.286 68 G CA -0.323 44.432 45.100 -0.575 0.000 0.825 68 G HN -0.050 nan 8.290 nan 0.000 0.479 69 V N -0.860 118.940 119.914 -0.191 0.000 2.891 69 V HA 0.719 4.839 4.120 -0.000 0.000 0.304 69 V C -1.288 174.659 176.094 -0.245 0.000 1.171 69 V CA -0.612 61.633 62.300 -0.091 0.000 0.943 69 V CB 1.701 33.498 31.823 -0.043 0.000 1.037 69 V HN 1.479 nan 8.190 nan 0.000 0.427 70 V N 7.196 126.981 119.914 -0.216 0.000 2.513 70 V HA 0.855 4.974 4.120 -0.000 0.000 0.299 70 V C -0.939 174.990 176.094 -0.275 0.000 1.035 70 V CA 0.003 62.107 62.300 -0.327 0.000 0.889 70 V CB 1.883 33.525 31.823 -0.302 0.000 0.988 70 V HN 0.827 nan 8.190 nan 0.000 0.440 71 V N 7.161 126.868 119.914 -0.344 0.000 2.735 71 V HA 0.596 4.716 4.120 -0.000 0.000 0.310 71 V C -0.761 175.238 176.094 -0.159 0.000 1.061 71 V CA -0.667 61.531 62.300 -0.170 0.000 0.913 71 V CB 1.757 33.511 31.823 -0.115 0.000 1.005 71 V HN 0.773 nan 8.190 nan 0.000 0.428 72 L N 3.607 124.827 121.223 -0.004 0.000 2.356 72 L HA 0.881 5.221 4.340 -0.000 0.000 0.277 72 L C 0.138 177.078 176.870 0.116 0.000 0.996 72 L CA -0.207 54.666 54.840 0.056 0.000 0.822 72 L CB 1.889 43.997 42.059 0.081 0.000 1.256 72 L HN 0.802 nan 8.230 nan 0.000 0.413 73 A N 2.417 125.296 122.820 0.098 0.000 2.340 73 A HA 0.897 5.217 4.320 -0.000 0.000 0.331 73 A C 0.440 178.085 177.584 0.101 0.000 1.140 73 A CA -0.358 51.737 52.037 0.096 0.000 0.801 73 A CB 1.041 20.083 19.000 0.070 0.000 1.234 73 A HN 0.758 nan 8.150 nan 0.000 0.469 74 R N -0.693 119.864 120.500 0.093 0.000 3.408 74 R HA -0.108 4.232 4.340 -0.000 0.000 0.494 74 R C -0.428 175.931 176.300 0.099 0.000 0.800 74 R CA 1.303 57.454 56.100 0.085 0.000 1.331 74 R CB -1.729 28.617 30.300 0.076 0.000 2.035 74 R HN 0.818 nan 8.270 nan 0.000 0.464 75 N N -0.766 118.013 118.700 0.133 0.000 2.655 75 N HA 0.417 5.157 4.740 -0.000 0.000 0.277 75 N C 0.215 175.800 175.510 0.125 0.000 1.177 75 N CA 0.504 53.631 53.050 0.129 0.000 0.882 75 N CB 1.343 39.948 38.487 0.197 0.000 1.481 75 N HN 0.082 nan 8.380 nan 0.000 0.547 76 A N 3.185 126.037 122.820 0.053 0.000 2.067 76 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 76 A C 0.914 178.474 177.584 -0.040 0.000 1.158 76 A CA 1.218 53.280 52.037 0.041 0.000 0.661 76 A CB -0.574 18.447 19.000 0.034 0.000 0.801 76 A HN 0.898 nan 8.150 nan 0.000 0.452 77 N N -1.770 116.821 118.700 -0.181 0.000 2.681 77 N HA -0.136 4.604 4.740 -0.000 0.000 0.259 77 N C -1.044 174.379 175.510 -0.145 0.000 1.066 77 N CA 0.851 53.691 53.050 -0.349 0.000 0.717 77 N CB -1.538 36.539 38.487 -0.683 0.000 0.885 77 N HN 0.234 nan 8.380 nan 0.000 0.547 78 V N 0.960 120.831 119.914 -0.072 0.000 2.735 78 V HA 0.824 4.943 4.120 -0.000 0.000 0.310 78 V C 0.782 176.892 176.094 0.026 0.000 1.061 78 V CA -0.237 62.065 62.300 0.003 0.000 0.913 78 V CB 1.478 33.326 31.823 0.042 0.000 1.005 78 V HN 0.941 nan 8.190 nan 0.000 0.428 79 A N 3.312 126.177 122.820 0.076 0.000 2.687 79 A HA -0.157 4.163 4.320 -0.000 0.000 0.299 79 A C 0.805 178.410 177.584 0.035 0.000 1.497 79 A CA 1.237 53.336 52.037 0.103 0.000 0.751 79 A CB -1.889 17.215 19.000 0.174 0.000 1.048 79 A HN 1.598 nan 8.150 nan 0.000 0.464 80 T N -2.381 112.171 114.554 -0.003 0.000 3.266 80 T HA 0.555 4.905 4.350 -0.000 0.000 0.278 80 T C 1.764 176.452 174.700 -0.019 0.000 1.010 80 T CA 0.953 63.035 62.100 -0.030 0.000 0.909 80 T CB -0.052 68.764 68.868 -0.086 0.000 1.122 80 T HN 2.480 nan 8.240 nan 0.000 0.536 81 G N 2.085 110.882 108.800 -0.004 0.000 2.591 81 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.278 81 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.278 81 G C 0.487 175.382 174.900 -0.008 0.000 1.293 81 G CA 0.100 45.198 45.100 -0.004 0.000 0.930 81 G HN 0.615 nan 8.290 nan 0.000 0.562 82 L N 0.435 121.655 121.223 -0.005 0.000 2.217 82 L HA 0.181 4.521 4.340 -0.000 0.000 0.211 82 L C 2.529 179.400 176.870 0.002 0.000 1.107 82 L CA 2.803 57.642 54.840 -0.003 0.000 0.783 82 L CB -0.497 41.561 42.059 -0.002 0.000 0.919 82 L HN 0.792 nan 8.230 nan 0.000 0.442 83 E N -0.810 119.391 120.200 0.002 0.000 2.106 83 E HA -0.162 4.187 4.350 -0.000 0.000 0.192 83 E C 2.001 178.607 176.600 0.009 0.000 0.984 83 E CA 0.980 57.386 56.400 0.009 0.000 0.806 83 E CB -0.241 29.463 29.700 0.008 0.000 0.750 83 E HN 0.603 nan 8.360 nan 0.000 0.458 84 G N 0.582 109.374 108.800 -0.014 0.000 2.421 84 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 84 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 84 G C 1.246 176.141 174.900 -0.009 0.000 1.143 84 G CA 0.457 45.533 45.100 -0.041 0.000 0.784 84 G HN 0.283 nan 8.290 nan 0.000 0.541 85 E N 0.308 120.508 120.200 -0.001 0.000 2.107 85 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 85 E C 2.233 178.849 176.600 0.026 0.000 0.982 85 E CA 0.809 57.214 56.400 0.009 0.000 0.809 85 E CB -0.010 29.690 29.700 -0.001 0.000 0.756 85 E HN 0.497 nan 8.360 nan 0.000 0.459 86 E N 0.363 120.580 120.200 0.029 0.000 2.285 86 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 86 E C 1.557 178.194 176.600 0.061 0.000 0.997 86 E CA 0.244 56.665 56.400 0.036 0.000 0.845 86 E CB 0.207 29.924 29.700 0.027 0.000 0.782 86 E HN 0.121 nan 8.360 nan 0.000 0.491 87 N N 0.369 119.121 118.700 0.087 0.000 2.300 87 N HA -0.030 4.710 4.740 -0.000 0.000 0.179 87 N C 1.530 177.162 175.510 0.205 0.000 1.016 87 N CA 1.012 54.159 53.050 0.162 0.000 0.876 87 N CB -0.086 38.541 38.487 0.233 0.000 0.979 87 N HN 0.107 nan 8.380 nan 0.000 0.432 88 A N 1.073 123.991 122.820 0.163 0.000 1.898 88 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 88 A C 2.273 179.918 177.584 0.102 0.000 1.181 88 A CA 0.985 53.121 52.037 0.164 0.000 0.620 88 A CB -0.340 18.721 19.000 0.102 0.000 0.819 88 A HN 0.143 nan 8.150 nan 0.000 0.442 89 R N -0.695 119.846 120.500 0.068 0.000 2.081 89 R HA -0.133 4.206 4.340 -0.000 0.000 0.235 89 R C 2.322 178.647 176.300 0.042 0.000 1.131 89 R CA 1.599 57.725 56.100 0.043 0.000 0.960 89 R CB -0.215 30.103 30.300 0.030 0.000 0.856 89 R HN 0.771 nan 8.270 nan 0.000 0.436 90 E N -0.100 120.130 120.200 0.051 0.000 2.031 90 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 90 E C 1.874 178.495 176.600 0.035 0.000 0.994 90 E CA 1.553 57.976 56.400 0.039 0.000 0.800 90 E CB 0.146 29.872 29.700 0.043 0.000 0.752 90 E HN 0.096 nan 8.360 nan 0.000 0.447 91 V N 1.853 121.799 119.914 0.054 0.000 2.295 91 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 91 V C 2.680 178.801 176.094 0.044 0.000 1.049 91 V CA 1.898 64.228 62.300 0.050 0.000 1.024 91 V CB -0.767 31.088 31.823 0.054 0.000 0.648 91 V HN 0.305 nan 8.190 nan 0.000 0.447 92 R N 0.570 121.095 120.500 0.043 0.000 2.113 92 R HA -0.245 4.095 4.340 -0.000 0.000 0.244 92 R C 2.350 178.652 176.300 0.003 0.000 1.142 92 R CA 2.663 58.775 56.100 0.021 0.000 0.953 92 R CB -0.578 29.740 30.300 0.030 0.000 0.860 92 R HN 0.666 nan 8.270 nan 0.000 0.438 93 E N 0.180 120.384 120.200 0.006 0.000 2.047 93 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 93 E C 2.052 178.641 176.600 -0.019 0.000 0.987 93 E CA 1.470 57.868 56.400 -0.005 0.000 0.799 93 E CB -0.908 28.792 29.700 0.001 0.000 0.752 93 E HN 0.612 nan 8.360 nan 0.000 0.449 94 A N 0.606 123.417 122.820 -0.015 0.000 1.881 94 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 94 A C 2.745 180.295 177.584 -0.056 0.000 1.215 94 A CA 2.691 54.709 52.037 -0.031 0.000 0.648 94 A CB -1.076 17.910 19.000 -0.024 0.000 0.832 94 A HN 0.627 nan 8.150 nan 0.000 0.455 95 V N -0.180 119.705 119.914 -0.049 0.000 2.324 95 V HA -0.303 3.817 4.120 -0.000 0.000 0.250 95 V C 3.037 179.045 176.094 -0.143 0.000 1.060 95 V CA 2.252 64.490 62.300 -0.103 0.000 1.042 95 V CB -1.501 30.266 31.823 -0.093 0.000 0.650 95 V HN 0.697 nan 8.190 nan 0.000 0.450 96 A N 0.284 123.047 122.820 -0.095 0.000 1.865 96 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 96 A C 2.558 180.101 177.584 -0.067 0.000 1.191 96 A CA 2.939 54.928 52.037 -0.080 0.000 0.623 96 A CB -0.818 18.158 19.000 -0.039 0.000 0.826 96 A HN 0.524 nan 8.150 nan 0.000 0.444 97 R N -0.728 119.741 120.500 -0.052 0.000 2.096 97 R HA 0.136 4.476 4.340 -0.000 0.000 0.235 97 R C 2.541 178.810 176.300 -0.052 0.000 1.127 97 R CA 2.248 58.325 56.100 -0.038 0.000 0.968 97 R CB -1.723 28.559 30.300 -0.031 0.000 0.861 97 R HN 0.956 nan 8.270 nan 0.000 0.440 98 A N 0.742 123.506 122.820 -0.092 0.000 1.902 98 A HA 0.098 4.417 4.320 -0.000 0.000 0.217 98 A C 2.295 179.794 177.584 -0.140 0.000 1.181 98 A CA 1.409 53.375 52.037 -0.119 0.000 0.623 98 A CB -0.126 18.772 19.000 -0.170 0.000 0.818 98 A HN 0.439 nan 8.150 nan 0.000 0.443 99 L N -1.213 119.870 121.223 -0.234 0.000 2.591 99 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 99 L C 1.455 178.410 176.870 0.143 0.000 1.133 99 L CA 0.478 55.111 54.840 -0.346 0.000 0.880 99 L CB -0.424 41.093 42.059 -0.903 0.000 1.033 99 L HN 0.598 nan 8.230 nan 0.000 0.450 100 G N 1.207 110.054 108.800 0.078 0.000 2.225 100 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.264 100 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.264 100 G C -0.344 174.630 174.900 0.124 0.000 1.060 100 G CA 0.044 45.219 45.100 0.124 0.000 0.833 100 G HN 0.206 nan 8.290 nan 0.000 0.498 101 L N -0.461 120.803 121.223 0.068 0.000 2.286 101 L HA 0.826 5.166 4.340 -0.000 0.000 0.265 101 L C -1.742 175.145 176.870 0.029 0.000 1.012 101 L CA -2.657 52.221 54.840 0.062 0.000 0.818 101 L CB 0.868 42.953 42.059 0.043 0.000 1.337 101 L HN -0.040 nan 8.230 nan 0.000 0.438 102 P HA 0.103 nan 4.420 nan 0.000 0.279 102 P C 0.183 177.493 177.300 0.017 0.000 1.239 102 P CA -0.356 62.757 63.100 0.022 0.000 0.789 102 P CB 1.362 33.078 31.700 0.027 0.000 0.933 103 E N 3.058 123.265 120.200 0.011 0.000 2.048 103 E HA -0.224 4.125 4.350 -0.000 0.000 0.202 103 E C 1.991 178.603 176.600 0.019 0.000 1.021 103 E CA 2.062 58.467 56.400 0.009 0.000 0.825 103 E CB -0.976 28.728 29.700 0.008 0.000 0.756 103 E HN 0.669 nan 8.360 nan 0.000 0.454 104 G N 0.322 109.136 108.800 0.024 0.000 2.537 104 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 104 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 104 G C 0.514 175.443 174.900 0.049 0.000 1.111 104 G CA 0.645 45.764 45.100 0.032 0.000 0.748 104 G HN 0.341 nan 8.290 nan 0.000 0.564 108 I N 0.729 121.354 120.570 0.092 0.000 2.644 108 I HA 0.784 4.954 4.170 -0.000 0.000 0.291 108 I C -1.345 174.844 176.117 0.121 0.000 1.180 108 I CA -0.177 61.162 61.300 0.066 0.000 1.040 108 I CB 1.987 40.021 38.000 0.057 0.000 1.255 108 I HN 0.729 nan 8.210 nan 0.000 0.422 109 A N 4.895 127.793 122.820 0.130 0.000 2.374 109 A HA 0.797 5.117 4.320 -0.000 0.000 0.305 109 A C -1.208 176.481 177.584 0.175 0.000 1.053 109 A CA -0.474 51.686 52.037 0.205 0.000 0.726 109 A CB 1.911 21.136 19.000 0.376 0.000 1.229 109 A HN 0.581 nan 8.150 nan 0.000 0.431 110 S N 0.496 116.304 115.700 0.179 0.000 2.521 110 S HA 0.820 5.290 4.470 -0.000 0.000 0.295 110 S C -0.603 174.085 174.600 0.147 0.000 1.098 110 S CA -0.192 58.121 58.200 0.189 0.000 0.999 110 S CB 1.535 64.880 63.200 0.241 0.000 1.034 110 S HN 1.199 nan 8.310 nan 0.000 0.483 111 T N 2.512 117.149 114.554 0.139 0.000 2.909 111 T HA 0.814 5.164 4.350 -0.000 0.000 0.299 111 T C 0.075 174.832 174.700 0.094 0.000 1.073 111 T CA 0.722 62.884 62.100 0.103 0.000 0.999 111 T CB 0.971 69.896 68.868 0.095 0.000 1.098 111 T HN 1.449 nan 8.240 nan 0.000 0.477 112 G N 1.667 110.508 108.800 0.069 0.000 2.236 112 G HA2 0.093 4.052 3.960 -0.000 0.000 0.231 112 G HA3 0.093 4.052 3.960 -0.000 0.000 0.231 112 G C -0.888 174.038 174.900 0.043 0.000 1.334 112 G CA -0.250 44.886 45.100 0.060 0.000 1.137 112 G HN 1.117 nan 8.290 nan 0.000 0.482 113 V N 1.432 121.370 119.914 0.040 0.000 2.763 113 V HA 0.339 4.458 4.120 -0.000 0.000 0.306 113 V C 1.200 177.298 176.094 0.006 0.000 1.059 113 V CA 0.353 62.666 62.300 0.022 0.000 1.138 113 V CB 0.732 32.569 31.823 0.023 0.000 0.940 113 V HN 0.578 nan 8.190 nan 0.000 0.489 114 I N 2.745 123.312 120.570 -0.005 0.000 2.677 114 I HA 0.542 4.712 4.170 -0.000 0.000 0.305 114 I C 1.380 177.485 176.117 -0.020 0.000 0.988 114 I CA 0.590 61.881 61.300 -0.015 0.000 1.260 114 I CB 1.248 39.233 38.000 -0.025 0.000 1.410 114 I HN 0.881 nan 8.210 nan 0.000 0.523 115 G N 2.667 111.454 108.800 -0.021 0.000 2.155 115 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 115 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 115 G C 0.229 175.115 174.900 -0.024 0.000 0.983 115 G CA 0.487 45.577 45.100 -0.018 0.000 0.676 115 G HN 0.945 nan 8.290 nan 0.000 0.528 116 R N 0.169 120.647 120.500 -0.037 0.000 2.409 116 R HA 0.746 5.086 4.340 -0.000 0.000 0.313 116 R C 0.338 176.601 176.300 -0.062 0.000 0.953 116 R CA -0.534 55.548 56.100 -0.030 0.000 0.849 116 R CB 0.643 30.939 30.300 -0.006 0.000 1.171 116 R HN 0.385 nan 8.270 nan 0.000 0.458 117 Q N 1.237 121.012 119.800 -0.043 0.000 2.428 117 Q HA 0.100 4.440 4.340 -0.000 0.000 0.276 117 Q C -0.427 175.589 176.000 0.027 0.000 1.059 117 Q CA 0.318 56.093 55.803 -0.048 0.000 0.923 117 Q CB 0.214 28.953 28.738 0.001 0.000 1.283 117 Q HN 0.633 nan 8.270 nan 0.000 0.447 118 Y N 1.832 122.147 120.300 0.026 0.000 2.379 118 Y HA 0.131 4.681 4.550 -0.000 0.000 0.337 118 Y C -1.268 174.643 175.900 0.018 0.000 1.238 118 Y CA -1.663 56.454 58.100 0.028 0.000 1.405 118 Y CB -0.446 38.036 38.460 0.037 0.000 1.310 118 Y HN 0.494 nan 8.280 nan 0.000 0.569 122 S N 1.315 116.994 115.700 -0.035 0.000 2.359 122 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 122 S C 2.213 176.756 174.600 -0.096 0.000 1.035 122 S CA 1.641 59.807 58.200 -0.057 0.000 1.018 122 S CB -0.478 62.686 63.200 -0.060 0.000 0.876 122 S HN 0.327 nan 8.310 nan 0.000 0.448 123 I N 1.167 121.661 120.570 -0.127 0.000 2.208 123 I HA -0.209 3.960 4.170 -0.000 0.000 0.245 123 I C 2.891 178.913 176.117 -0.157 0.000 1.097 123 I CA 1.447 62.622 61.300 -0.208 0.000 1.363 123 I CB -0.364 37.512 38.000 -0.206 0.000 1.051 123 I HN 0.260 nan 8.210 nan 0.000 0.413 124 R N 0.592 121.035 120.500 -0.095 0.000 2.066 124 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 124 R C 2.661 178.915 176.300 -0.076 0.000 1.131 124 R CA 1.721 57.776 56.100 -0.076 0.000 0.955 124 R CB -0.749 29.523 30.300 -0.046 0.000 0.851 124 R HN 0.484 nan 8.270 nan 0.000 0.432 125 E N 0.963 121.129 120.200 -0.058 0.000 2.070 125 E HA -0.296 4.053 4.350 -0.000 0.000 0.197 125 E C 1.673 178.242 176.600 -0.051 0.000 1.004 125 E CA 2.066 58.439 56.400 -0.045 0.000 0.805 125 E CB -1.012 28.671 29.700 -0.029 0.000 0.744 125 E HN 0.577 nan 8.360 nan 0.000 0.451 126 H N 0.103 119.065 119.070 -0.180 0.000 2.256 126 H HA 0.071 4.626 4.556 -0.000 0.000 0.299 126 H C 2.272 177.464 175.328 -0.226 0.000 1.071 126 H CA 1.873 57.786 56.048 -0.225 0.000 1.280 126 H CB -0.485 29.047 29.762 -0.382 0.000 1.370 126 H HN 0.297 nan 8.280 nan 0.000 0.490 127 L N 0.144 121.208 121.223 -0.265 0.000 2.085 127 L HA -0.339 4.001 4.340 -0.000 0.000 0.218 127 L C 2.785 179.520 176.870 -0.225 0.000 1.080 127 L CA 2.278 56.965 54.840 -0.256 0.000 0.776 127 L CB -0.875 41.096 42.059 -0.147 0.000 0.891 127 L HN 0.537 nan 8.230 nan 0.000 0.437 128 K N -0.423 119.876 120.400 -0.167 0.000 2.442 128 K HA -0.166 4.154 4.320 -0.000 0.000 0.199 128 K C 1.787 178.298 176.600 -0.148 0.000 1.044 128 K CA 1.790 58.001 56.287 -0.127 0.000 0.941 128 K CB -1.325 31.123 32.500 -0.087 0.000 0.759 128 K HN 0.697 nan 8.250 nan 0.000 0.472 129 T N -2.926 111.491 114.554 -0.228 0.000 2.985 129 T HA 0.295 4.645 4.350 -0.000 0.000 0.254 129 T C 0.683 175.230 174.700 -0.255 0.000 1.021 129 T CA -0.213 61.759 62.100 -0.213 0.000 0.957 129 T CB -0.243 68.504 68.868 -0.200 0.000 1.047 129 T HN 0.203 nan 8.240 nan 0.000 0.511 130 L N 2.309 123.309 121.223 -0.371 0.000 2.573 130 L HA 0.292 4.631 4.340 -0.000 0.000 0.290 130 L C -0.041 176.694 176.870 -0.226 0.000 1.247 130 L CA 0.991 55.603 54.840 -0.380 0.000 0.876 130 L CB -0.116 41.708 42.059 -0.391 0.000 1.123 130 L HN 0.368 nan 8.230 nan 0.000 0.505 131 E N 2.494 122.586 120.200 -0.180 0.000 2.412 131 E HA 0.178 4.528 4.350 -0.000 0.000 0.279 131 E C -1.715 174.871 176.600 -0.022 0.000 0.984 131 E CA -0.825 55.538 56.400 -0.063 0.000 0.788 131 E CB 0.844 30.560 29.700 0.026 0.000 1.277 131 E HN 0.532 nan 8.360 nan 0.000 0.455 132 W N 3.763 125.045 121.300 -0.029 0.000 2.264 132 W HA 0.124 4.784 4.660 -0.001 0.000 0.331 132 W C -1.629 174.896 176.519 0.010 0.000 1.364 132 W CA -0.547 56.787 57.345 -0.019 0.000 1.253 132 W CB 0.116 29.557 29.460 -0.032 0.000 1.215 132 W HN 0.263 nan 8.180 nan 0.000 0.561 133 P HA 0.269 nan 4.420 nan 0.000 0.274 133 P C -0.959 176.435 177.300 0.157 0.000 1.246 133 P CA -0.394 62.814 63.100 0.180 0.000 0.795 133 P CB 0.818 32.598 31.700 0.133 0.000 1.006 134 A N 0.612 123.490 122.820 0.095 0.000 2.274 134 A HA 0.649 4.969 4.320 -0.000 0.000 0.309 134 A C 0.538 178.151 177.584 0.048 0.000 1.226 134 A CA 0.168 52.241 52.037 0.061 0.000 0.853 134 A CB -0.372 18.653 19.000 0.042 0.000 1.146 134 A HN 0.934 nan 8.150 nan 0.000 0.518 135 G N 2.025 110.848 108.800 0.038 0.000 2.721 135 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.686 135 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.686 135 G C -0.606 174.323 174.900 0.048 0.000 1.236 135 G CA -0.185 44.937 45.100 0.036 0.000 0.786 135 G HN 0.933 nan 8.290 nan 0.000 0.616 136 E N -0.128 120.104 120.200 0.054 0.000 2.267 136 E HA 0.710 5.059 4.350 -0.000 0.000 0.258 136 E C 0.940 177.580 176.600 0.067 0.000 1.074 136 E CA 0.298 56.742 56.400 0.075 0.000 0.915 136 E CB 1.290 31.051 29.700 0.103 0.000 1.186 136 E HN 2.175 nan 8.360 nan 0.000 0.439 137 G N -0.814 108.026 108.800 0.067 0.000 2.698 137 G HA2 0.129 4.089 3.960 -0.000 0.000 0.225 137 G HA3 0.129 4.089 3.960 -0.000 0.000 0.225 137 G C 0.450 175.268 174.900 -0.138 0.000 1.345 137 G CA -0.170 44.951 45.100 0.035 0.000 0.871 137 G HN 1.293 nan 8.290 nan 0.000 0.540 138 G N -2.888 105.850 108.800 -0.103 0.000 2.155 138 G HA2 0.093 4.053 3.960 -0.000 0.000 0.135 138 G HA3 0.093 4.053 3.960 -0.000 0.000 0.135 138 G C 0.675 175.463 174.900 -0.187 0.000 1.023 138 G CA 0.561 45.582 45.100 -0.131 0.000 0.688 138 G HN 1.397 nan 8.290 nan 0.000 0.499 139 F N 1.783 121.742 119.950 0.015 0.000 2.502 139 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 139 F C 2.427 178.228 175.800 0.001 0.000 1.111 139 F CA 1.408 59.410 58.000 0.003 0.000 1.445 139 F CB 0.080 39.076 39.000 -0.006 0.000 1.081 139 F HN 0.331 nan 8.300 nan 0.000 0.558 140 D N 0.928 121.415 120.400 0.145 0.000 2.084 140 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 140 D C 2.015 178.344 176.300 0.048 0.000 0.985 140 D CA 1.214 55.266 54.000 0.086 0.000 0.826 140 D CB -0.885 39.952 40.800 0.062 0.000 0.978 140 D HN 0.361 nan 8.370 nan 0.000 0.456 141 R N 1.280 121.790 120.500 0.016 0.000 2.148 141 R HA 0.225 4.564 4.340 -0.000 0.000 0.223 141 R C 2.329 178.623 176.300 -0.010 0.000 1.088 141 R CA 0.995 57.092 56.100 -0.006 0.000 0.985 141 R CB -0.528 29.754 30.300 -0.030 0.000 0.880 141 R HN 0.169 nan 8.270 nan 0.000 0.451 142 A N 2.338 125.148 122.820 -0.016 0.000 1.858 142 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 142 A C 2.609 180.220 177.584 0.046 0.000 1.190 142 A CA 1.642 53.671 52.037 -0.014 0.000 0.617 142 A CB -0.846 18.133 19.000 -0.035 0.000 0.827 142 A HN 0.447 nan 8.150 nan 0.000 0.443 143 A N -0.427 122.443 122.820 0.082 0.000 1.917 143 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 143 A C 2.280 179.896 177.584 0.054 0.000 1.182 143 A CA 1.853 53.940 52.037 0.082 0.000 0.633 143 A CB -0.503 18.544 19.000 0.078 0.000 0.819 143 A HN 0.554 nan 8.150 nan 0.000 0.448 144 R N -1.125 119.397 120.500 0.037 0.000 2.090 144 R HA 0.037 4.376 4.340 -0.000 0.000 0.228 144 R C 2.257 178.570 176.300 0.022 0.000 1.110 144 R CA 0.981 57.096 56.100 0.025 0.000 0.973 144 R CB -0.294 30.015 30.300 0.016 0.000 0.869 144 R HN 0.503 nan 8.270 nan 0.000 0.440 145 A N 1.318 124.147 122.820 0.015 0.000 2.206 145 A HA 0.073 4.393 4.320 -0.000 0.000 0.211 145 A C 1.257 178.857 177.584 0.026 0.000 1.158 145 A CA 0.187 52.231 52.037 0.012 0.000 0.761 145 A CB -0.388 18.607 19.000 -0.008 0.000 0.801 145 A HN 0.330 nan 8.150 nan 0.000 0.473 149 T N 0.896 115.447 114.554 -0.004 0.000 3.122 149 T HA 0.378 4.728 4.350 -0.000 0.000 0.250 149 T C -0.309 174.375 174.700 -0.027 0.000 1.067 149 T CA -0.059 62.022 62.100 -0.032 0.000 0.966 149 T CB -0.767 68.071 68.868 -0.051 0.000 1.002 149 T HN 0.541 nan 8.240 nan 0.000 0.542 150 D N 2.576 122.972 120.400 -0.006 0.000 2.414 150 D HA 0.259 4.899 4.640 -0.000 0.000 0.242 150 D C 1.360 177.655 176.300 -0.008 0.000 1.129 150 D CA 0.297 54.297 54.000 0.000 0.000 0.885 150 D CB 1.196 42.003 40.800 0.012 0.000 1.198 150 D HN 0.325 nan 8.370 nan 0.000 0.437 151 T N -2.032 112.518 114.554 -0.007 0.000 3.086 151 T HA 0.366 4.715 4.350 -0.000 0.000 0.250 151 T C 0.711 175.410 174.700 -0.002 0.000 1.074 151 T CA -0.159 61.935 62.100 -0.010 0.000 0.988 151 T CB -0.101 68.759 68.868 -0.013 0.000 0.988 151 T HN 0.524 nan 8.240 nan 0.000 0.530 152 R N 1.392 121.895 120.500 0.004 0.000 2.594 152 R HA 0.727 5.067 4.340 -0.000 0.000 0.265 152 R C -3.557 172.751 176.300 0.012 0.000 1.070 152 R CA -1.734 54.371 56.100 0.008 0.000 0.909 152 R CB -0.449 29.855 30.300 0.007 0.000 1.243 152 R HN 0.236 nan 8.270 nan 0.000 0.455 153 P HA 0.282 nan 4.420 nan 0.000 0.271 153 P C -1.210 176.101 177.300 0.019 0.000 1.218 153 P CA -0.124 62.989 63.100 0.021 0.000 0.780 153 P CB 0.833 32.548 31.700 0.024 0.000 0.901 154 K N 2.008 122.420 120.400 0.021 0.000 2.483 154 K HA 0.416 4.736 4.320 -0.000 0.000 0.256 154 K C -0.122 176.480 176.600 0.004 0.000 0.961 154 K CA -0.525 55.770 56.287 0.012 0.000 0.873 154 K CB 1.887 34.398 32.500 0.018 0.000 1.107 154 K HN 0.521 nan 8.250 nan 0.000 0.432 155 E N 1.771 121.968 120.200 -0.006 0.000 2.372 155 E HA 0.557 4.907 4.350 -0.000 0.000 0.279 155 E C -1.928 174.648 176.600 -0.040 0.000 0.946 155 E CA -0.953 55.432 56.400 -0.025 0.000 0.769 155 E CB 2.344 32.052 29.700 0.013 0.000 1.230 155 E HN 0.236 nan 8.360 nan 0.000 0.442 156 V N 2.435 122.304 119.914 -0.076 0.000 3.087 156 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 156 V C -1.783 174.262 176.094 -0.082 0.000 1.187 156 V CA -0.569 61.697 62.300 -0.058 0.000 0.999 156 V CB 2.216 34.019 31.823 -0.034 0.000 1.049 156 V HN 0.839 nan 8.190 nan 0.000 0.431 157 R N 3.370 123.838 120.500 -0.054 0.000 2.673 157 R HA 0.881 5.220 4.340 -0.000 0.000 0.281 157 R C -1.855 174.429 176.300 -0.027 0.000 0.991 157 R CA -0.672 55.392 56.100 -0.059 0.000 0.896 157 R CB 2.483 32.750 30.300 -0.055 0.000 1.201 157 R HN 0.549 nan 8.270 nan 0.000 0.457 158 V N 0.710 120.613 119.914 -0.018 0.000 2.971 158 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 158 V C -0.234 175.865 176.094 0.008 0.000 1.130 158 V CA -0.904 61.391 62.300 -0.009 0.000 0.964 158 V CB 1.967 33.777 31.823 -0.022 0.000 1.029 158 V HN 1.010 nan 8.190 nan 0.000 0.427 159 S N 1.569 117.277 115.700 0.014 0.000 2.462 159 S HA 0.784 5.254 4.470 -0.000 0.000 0.294 159 S C -0.513 174.110 174.600 0.038 0.000 1.144 159 S CA -0.583 57.637 58.200 0.034 0.000 1.088 159 S CB 1.233 64.451 63.200 0.030 0.000 1.009 159 S HN 0.711 nan 8.310 nan 0.000 0.484 160 V N 2.303 122.259 119.914 0.071 0.000 2.380 160 V HA 0.595 4.715 4.120 -0.000 0.000 0.268 160 V C 0.846 176.998 176.094 0.096 0.000 1.008 160 V CA -0.019 62.333 62.300 0.086 0.000 0.823 160 V CB 0.173 32.081 31.823 0.142 0.000 1.053 160 V HN 1.693 nan 8.190 nan 0.000 0.446 161 G N 2.903 111.743 108.800 0.066 0.000 2.372 161 G HA2 0.121 4.081 3.960 -0.000 0.000 0.290 161 G HA3 0.121 4.081 3.960 -0.000 0.000 0.290 161 G C 1.249 176.186 174.900 0.062 0.000 0.965 161 G CA 0.921 46.056 45.100 0.059 0.000 1.263 161 G HN 2.190 nan 8.290 nan 0.000 0.498 162 G N -1.336 107.499 108.800 0.057 0.000 2.299 162 G HA2 0.144 4.104 3.960 -0.000 0.000 0.237 162 G HA3 0.144 4.104 3.960 -0.000 0.000 0.237 162 G C 0.957 175.900 174.900 0.072 0.000 1.027 162 G CA 1.267 46.401 45.100 0.057 0.000 0.619 162 G HN 2.364 nan 8.290 nan 0.000 0.513 163 A N -0.553 122.322 122.820 0.091 0.000 2.256 163 A HA 0.861 5.181 4.320 -0.000 0.000 0.318 163 A C 0.195 177.850 177.584 0.118 0.000 1.103 163 A CA 0.816 52.922 52.037 0.115 0.000 0.860 163 A CB 1.123 20.210 19.000 0.145 0.000 1.182 163 A HN 0.763 nan 8.150 nan 0.000 0.501 164 T N 0.472 115.105 114.554 0.131 0.000 2.861 164 T HA 0.532 4.882 4.350 -0.000 0.000 0.287 164 T C -1.283 173.483 174.700 0.110 0.000 1.003 164 T CA -0.178 61.983 62.100 0.102 0.000 0.977 164 T CB 1.106 70.024 68.868 0.084 0.000 0.996 164 T HN 0.664 nan 8.240 nan 0.000 0.448 165 L N 4.331 125.596 121.223 0.071 0.000 2.365 165 L HA 0.907 5.247 4.340 -0.000 0.000 0.273 165 L C -1.491 175.345 176.870 -0.056 0.000 1.000 165 L CA -0.528 54.355 54.840 0.071 0.000 0.819 165 L CB 1.730 43.857 42.059 0.114 0.000 1.284 165 L HN 0.470 nan 8.230 nan 0.000 0.418 166 V N 3.492 123.297 119.914 -0.181 0.000 2.841 166 V HA 0.945 5.065 4.120 -0.000 0.000 0.310 166 V C 0.023 175.873 176.094 -0.408 0.000 1.090 166 V CA -0.128 61.932 62.300 -0.401 0.000 0.930 166 V CB 1.911 33.172 31.823 -0.938 0.000 1.014 166 V HN 0.987 nan 8.190 nan 0.000 0.425 167 G N 3.375 111.919 108.800 -0.426 0.000 2.667 167 G HA2 0.854 4.814 3.960 -0.000 0.000 0.298 167 G HA3 0.854 4.814 3.960 -0.000 0.000 0.298 167 G C -1.355 173.303 174.900 -0.404 0.000 1.377 167 G CA -0.616 44.062 45.100 -0.704 0.000 0.964 167 G HN 0.948 nan 8.290 nan 0.000 0.493 168 I N -1.527 118.848 120.570 -0.325 0.000 2.934 168 I HA 0.973 5.143 4.170 -0.000 0.000 0.306 168 I C -0.296 175.740 176.117 -0.135 0.000 1.110 168 I CA -1.448 59.791 61.300 -0.102 0.000 1.019 168 I CB 2.445 40.497 38.000 0.086 0.000 1.227 168 I HN 0.852 nan 8.210 nan 0.000 0.434 169 A N 3.278 126.066 122.820 -0.053 0.000 2.606 169 A HA 0.858 5.178 4.320 -0.000 0.000 0.293 169 A C -1.442 176.136 177.584 -0.011 0.000 1.082 169 A CA -0.624 51.373 52.037 -0.067 0.000 0.685 169 A CB 2.255 21.282 19.000 0.045 0.000 1.284 169 A HN 0.849 nan 8.150 nan 0.000 0.408 170 K N 0.446 120.830 120.400 -0.027 0.000 2.536 170 K HA 0.683 5.002 4.320 -0.000 0.000 0.269 170 K C -0.617 175.989 176.600 0.010 0.000 0.965 170 K CA 0.306 56.599 56.287 0.011 0.000 0.860 170 K CB 1.918 34.437 32.500 0.032 0.000 1.423 170 K HN 2.672 nan 8.250 nan 0.000 0.438 171 G N 0.521 109.336 108.800 0.026 0.000 3.363 171 G HA2 0.028 3.988 3.960 -0.000 0.000 0.685 171 G HA3 0.028 3.988 3.960 -0.000 0.000 0.685 171 G C -0.382 174.545 174.900 0.046 0.000 1.199 171 G CA -0.217 44.902 45.100 0.032 0.000 0.946 171 G HN 1.231 nan 8.290 nan 0.000 0.558 172 V N -0.122 119.819 119.914 0.045 0.000 3.355 172 V HA 0.811 4.931 4.120 -0.000 0.000 0.330 172 V C 0.801 176.940 176.094 0.075 0.000 1.479 172 V CA 1.022 63.357 62.300 0.058 0.000 1.150 172 V CB 0.404 32.253 31.823 0.043 0.000 1.044 172 V HN 2.300 nan 8.190 nan 0.000 0.501 176 E N 6.061 126.301 120.200 0.067 0.000 2.428 176 E HA 0.194 4.543 4.350 -0.000 0.000 0.311 176 E C -2.803 173.833 176.600 0.060 0.000 1.077 176 E CA -0.808 55.631 56.400 0.065 0.000 0.657 176 E CB 0.884 30.613 29.700 0.048 0.000 1.268 176 E HN 0.294 nan 8.360 nan 0.000 0.407 177 P HA 0.122 nan 4.420 nan 0.000 0.268 177 P C -0.480 176.850 177.300 0.049 0.000 1.208 177 P CA 0.420 63.554 63.100 0.057 0.000 0.777 177 P CB 1.053 32.789 31.700 0.059 0.000 0.875 181 T N 1.726 116.305 114.554 0.041 0.000 2.799 181 T HA 0.554 4.904 4.350 -0.000 0.000 0.286 181 T C -0.424 174.288 174.700 0.021 0.000 0.973 181 T CA -0.176 61.947 62.100 0.037 0.000 1.035 181 T CB 1.642 70.537 68.868 0.045 0.000 0.932 181 T HN 0.399 nan 8.240 nan 0.000 0.469 182 L N 5.216 126.438 121.223 -0.002 0.000 2.272 182 L HA 0.584 4.924 4.340 -0.000 0.000 0.289 182 L C -1.440 175.351 176.870 -0.132 0.000 1.032 182 L CA -0.707 54.097 54.840 -0.059 0.000 0.810 182 L CB 0.513 42.532 42.059 -0.066 0.000 1.205 182 L HN 0.617 nan 8.230 nan 0.000 0.422 183 L N 5.016 126.132 121.223 -0.178 0.000 2.372 183 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 183 L C -0.467 176.072 176.870 -0.552 0.000 0.988 183 L CA -0.185 54.471 54.840 -0.306 0.000 0.833 183 L CB 2.143 44.172 42.059 -0.050 0.000 1.236 183 L HN 0.579 nan 8.230 nan 0.000 0.410 184 T N 2.948 116.926 114.554 -0.959 0.000 2.952 184 T HA 0.716 5.065 4.350 -0.000 0.000 0.305 184 T C -1.366 172.667 174.700 -1.112 0.000 1.064 184 T CA -0.242 61.320 62.100 -0.896 0.000 1.008 184 T CB 0.785 69.166 68.868 -0.811 0.000 1.078 184 T HN 0.188 nan 8.240 nan 0.000 0.459 185 F N 3.479 123.353 119.950 -0.126 0.000 2.551 185 F HA 0.770 5.297 4.527 -0.000 0.000 0.316 185 F C -0.721 174.965 175.800 -0.191 0.000 1.089 185 F CA -1.156 56.838 58.000 -0.011 0.000 0.915 185 F CB 1.609 40.676 39.000 0.112 0.000 1.186 185 F HN 0.441 nan 8.300 nan 0.000 0.456 186 F N 1.521 121.596 119.950 0.209 0.000 2.520 186 F HA 0.768 5.295 4.527 0.000 0.000 0.322 186 F C -0.190 175.659 175.800 0.082 0.000 1.103 186 F CA -0.919 57.146 58.000 0.108 0.000 0.926 186 F CB 2.102 41.176 39.000 0.123 0.000 1.154 186 F HN 0.565 nan 8.300 nan 0.000 0.453 187 A N 2.118 124.947 122.820 0.015 0.000 2.353 187 A HA 0.727 5.047 4.320 -0.000 0.000 0.299 187 A C -0.809 176.597 177.584 -0.297 0.000 1.089 187 A CA -0.587 51.230 52.037 -0.365 0.000 0.736 187 A CB 1.611 20.009 19.000 -1.004 0.000 1.195 187 A HN 0.635 nan 8.150 nan 0.000 0.447 188 T N 0.452 114.999 114.554 -0.011 0.000 2.900 188 T HA 0.491 4.841 4.350 -0.000 0.000 0.295 188 T C -0.462 174.456 174.700 0.364 0.000 1.044 188 T CA -0.107 62.107 62.100 0.191 0.000 0.995 188 T CB 1.202 70.271 68.868 0.335 0.000 1.072 188 T HN 0.673 nan 8.240 nan 0.000 0.473 189 D N 1.692 122.283 120.400 0.318 0.000 2.358 189 D HA 0.369 5.009 4.640 -0.000 0.000 0.224 189 D C 0.656 177.047 176.300 0.151 0.000 1.123 189 D CA -0.363 53.808 54.000 0.285 0.000 0.833 189 D CB -0.112 40.834 40.800 0.243 0.000 0.946 189 D HN 0.545 nan 8.370 nan 0.000 0.505 190 A N 0.615 123.500 122.820 0.108 0.000 2.322 190 A HA 0.439 4.759 4.320 -0.000 0.000 0.269 190 A C 0.235 177.789 177.584 -0.049 0.000 1.094 190 A CA -0.737 51.306 52.037 0.010 0.000 0.807 190 A CB 0.508 19.471 19.000 -0.062 0.000 1.047 190 A HN 0.213 nan 8.150 nan 0.000 0.487 191 R N 1.991 122.461 120.500 -0.050 0.000 2.207 191 R HA 0.556 4.896 4.340 -0.000 0.000 0.334 191 R C -1.592 174.649 176.300 -0.098 0.000 1.013 191 R CA -0.195 55.874 56.100 -0.052 0.000 0.858 191 R CB 0.111 30.399 30.300 -0.020 0.000 1.094 191 R HN 0.698 nan 8.270 nan 0.000 0.457 192 L N 3.063 124.210 121.223 -0.127 0.000 2.362 192 L HA 0.321 4.661 4.340 -0.000 0.000 0.271 192 L C -0.325 176.501 176.870 -0.075 0.000 1.002 192 L CA -1.205 53.547 54.840 -0.145 0.000 0.818 192 L CB 1.967 43.863 42.059 -0.272 0.000 1.298 192 L HN 0.622 nan 8.230 nan 0.000 0.420 193 D N 3.262 123.634 120.400 -0.046 0.000 2.458 193 D HA 0.055 4.695 4.640 -0.000 0.000 0.243 193 D C -1.774 174.515 176.300 -0.019 0.000 1.146 193 D CA -0.845 53.142 54.000 -0.020 0.000 0.877 193 D CB 1.309 42.105 40.800 -0.006 0.000 1.176 193 D HN 0.193 nan 8.370 nan 0.000 0.461 194 P HA -0.196 nan 4.420 nan 0.000 0.214 194 P C 0.952 178.257 177.300 0.008 0.000 1.163 194 P CA 2.176 65.274 63.100 -0.002 0.000 0.889 194 P CB 0.000 31.704 31.700 0.006 0.000 0.790 195 A N -0.318 122.511 122.820 0.015 0.000 1.902 195 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 195 A C 2.141 179.744 177.584 0.031 0.000 1.181 195 A CA 1.763 53.815 52.037 0.024 0.000 0.623 195 A CB -1.227 17.787 19.000 0.023 0.000 0.818 195 A HN 0.189 nan 8.150 nan 0.000 0.443 196 E N -0.755 119.460 120.200 0.026 0.000 2.023 196 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 196 E C 2.286 178.918 176.600 0.054 0.000 1.003 196 E CA 1.373 57.795 56.400 0.036 0.000 0.809 196 E CB -0.284 29.432 29.700 0.026 0.000 0.755 196 E HN 0.789 nan 8.360 nan 0.000 0.449 197 Q N 0.780 120.598 119.800 0.031 0.000 2.133 197 Q HA -0.261 4.078 4.340 -0.000 0.000 0.208 197 Q C 1.516 177.577 176.000 0.101 0.000 0.991 197 Q CA 1.931 57.760 55.803 0.043 0.000 0.867 197 Q CB 0.012 28.730 28.738 -0.032 0.000 0.911 197 Q HN 0.205 nan 8.270 nan 0.000 0.417 198 D N -0.399 120.047 120.400 0.077 0.000 2.117 198 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 198 D C 2.025 178.408 176.300 0.138 0.000 0.982 198 D CA 1.055 55.122 54.000 0.112 0.000 0.828 198 D CB -0.066 40.776 40.800 0.070 0.000 0.967 198 D HN 0.345 nan 8.370 nan 0.000 0.464 199 R N 0.476 121.034 120.500 0.097 0.000 2.062 199 R HA 0.010 4.349 4.340 -0.000 0.000 0.229 199 R C 2.542 178.894 176.300 0.088 0.000 1.128 199 R CA 0.310 56.457 56.100 0.078 0.000 0.960 199 R CB -0.592 29.742 30.300 0.058 0.000 0.855 199 R HN 0.189 nan 8.270 nan 0.000 0.432 200 L N 0.614 121.904 121.223 0.112 0.000 1.971 200 L HA -0.252 4.087 4.340 -0.000 0.000 0.215 200 L C 2.349 179.299 176.870 0.134 0.000 1.072 200 L CA 1.746 56.663 54.840 0.129 0.000 0.758 200 L CB -0.409 41.762 42.059 0.187 0.000 0.889 200 L HN 0.085 nan 8.230 nan 0.000 0.433 201 F N 1.081 121.041 119.950 0.016 0.000 2.065 201 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 201 F C 2.677 178.453 175.800 -0.040 0.000 1.112 201 F CA 2.086 60.068 58.000 -0.030 0.000 1.212 201 F CB -0.391 38.587 39.000 -0.038 0.000 0.975 201 F HN 0.033 nan 8.300 nan 0.000 0.476 202 R N -0.357 120.107 120.500 -0.061 0.000 2.115 202 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 202 R C 2.392 178.608 176.300 -0.139 0.000 1.111 202 R CA 1.359 57.364 56.100 -0.158 0.000 0.976 202 R CB -0.298 29.995 30.300 -0.012 0.000 0.870 202 R HN 0.297 nan 8.270 nan 0.000 0.445 203 R N 0.345 120.804 120.500 -0.068 0.000 2.066 203 R HA -0.022 4.317 4.340 -0.000 0.000 0.232 203 R C 1.073 177.326 176.300 -0.079 0.000 1.131 203 R CA 0.830 56.908 56.100 -0.037 0.000 0.955 203 R CB -0.292 30.011 30.300 0.006 0.000 0.851 203 R HN -0.007 nan 8.270 nan 0.000 0.432 207 R N 0.758 121.257 120.500 -0.002 0.000 2.334 207 R HA 0.232 4.572 4.340 -0.000 0.000 0.212 207 R C 1.425 177.616 176.300 -0.182 0.000 0.897 207 R CA 1.010 57.039 56.100 -0.118 0.000 1.056 207 R CB 1.002 31.203 30.300 -0.165 0.000 1.046 207 R HN 0.386 nan 8.270 nan 0.000 0.513 208 T N -2.889 111.539 114.554 -0.210 0.000 3.257 208 T HA 0.129 4.478 4.350 -0.000 0.000 0.176 208 T C 1.588 176.152 174.700 -0.227 0.000 0.892 208 T CA -0.200 61.695 62.100 -0.342 0.000 1.147 208 T CB -0.623 67.844 68.868 -0.667 0.000 1.840 208 T HN -0.133 nan 8.240 nan 0.000 0.375 209 F N 3.036 122.935 119.950 -0.085 0.000 2.091 209 F HA 0.039 4.566 4.527 -0.000 0.000 0.299 209 F C 2.190 177.983 175.800 -0.011 0.000 1.103 209 F CA 1.298 59.267 58.000 -0.050 0.000 1.228 209 F CB -1.043 37.909 39.000 -0.080 0.000 0.984 209 F HN 0.241 nan 8.300 nan 0.000 0.477 210 N N -0.331 118.464 118.700 0.158 0.000 2.501 210 N HA 0.096 4.836 4.740 -0.000 0.000 0.195 210 N C 1.168 176.761 175.510 0.139 0.000 1.213 210 N CA 0.746 53.864 53.050 0.113 0.000 0.864 210 N CB -0.023 38.504 38.487 0.067 0.000 0.999 210 N HN 0.271 nan 8.380 nan 0.000 0.454 211 A N -1.034 121.892 122.820 0.177 0.000 2.456 211 A HA 0.220 4.540 4.320 -0.000 0.000 0.237 211 A C 0.444 178.163 177.584 0.225 0.000 1.217 211 A CA -0.145 52.052 52.037 0.267 0.000 0.962 211 A CB 0.728 19.950 19.000 0.370 0.000 1.079 211 A HN 0.064 nan 8.150 nan 0.000 0.536 212 V N 0.257 120.276 119.914 0.176 0.000 2.630 212 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 212 V C -0.593 175.575 176.094 0.123 0.000 1.046 212 V CA 0.055 62.457 62.300 0.170 0.000 0.934 212 V CB 1.847 33.754 31.823 0.140 0.000 1.003 212 V HN 0.386 nan 8.190 nan 0.000 0.451 213 S N 5.928 121.691 115.700 0.105 0.000 2.626 213 S HA 0.448 4.918 4.470 -0.000 0.000 0.275 213 S C 0.107 174.742 174.600 0.059 0.000 1.175 213 S CA -0.740 57.504 58.200 0.074 0.000 0.982 213 S CB 1.125 64.356 63.200 0.051 0.000 1.093 213 S HN 0.546 nan 8.310 nan 0.000 0.472 214 I N 3.422 124.028 120.570 0.059 0.000 2.364 214 I HA 0.143 4.312 4.170 -0.000 0.000 0.241 214 I C 1.456 177.564 176.117 -0.014 0.000 1.082 214 I CA 1.096 62.423 61.300 0.045 0.000 1.401 214 I CB -0.885 37.173 38.000 0.095 0.000 1.126 214 I HN 0.827 nan 8.210 nan 0.000 0.429 215 D N -0.974 119.436 120.400 0.017 0.000 2.503 215 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 215 D C 0.985 177.286 176.300 0.003 0.000 1.183 215 D CA 0.985 54.968 54.000 -0.029 0.000 0.827 215 D CB -0.075 40.776 40.800 0.084 0.000 1.034 215 D HN 0.364 nan 8.370 nan 0.000 0.510 216 T N -2.800 111.763 114.554 0.016 0.000 7.578 216 T HA -0.272 4.078 4.350 -0.000 0.000 0.299 216 T C -0.295 174.423 174.700 0.031 0.000 2.097 216 T CA 1.230 63.341 62.100 0.018 0.000 3.248 216 T CB -2.372 66.498 68.868 0.002 0.000 2.014 216 T HN 0.234 nan 8.240 nan 0.000 1.198 217 D N 2.719 123.147 120.400 0.046 0.000 2.551 217 D HA 0.285 4.925 4.640 -0.000 0.000 0.223 217 D C 0.219 176.548 176.300 0.048 0.000 1.144 217 D CA 0.229 54.257 54.000 0.048 0.000 1.025 217 D CB 0.632 41.468 40.800 0.061 0.000 1.085 217 D HN 0.530 nan 8.370 nan 0.000 0.506 218 T N 1.255 115.835 114.554 0.044 0.000 2.738 218 T HA -0.046 4.304 4.350 -0.000 0.000 0.277 218 T C 0.891 175.623 174.700 0.053 0.000 0.981 218 T CA 0.344 62.474 62.100 0.049 0.000 1.211 218 T CB 0.290 69.187 68.868 0.047 0.000 0.932 218 T HN 0.159 nan 8.240 nan 0.000 0.522 219 S N 2.788 118.521 115.700 0.054 0.000 2.580 219 S HA 0.072 4.542 4.470 -0.000 0.000 0.266 219 S C 1.630 176.273 174.600 0.072 0.000 1.354 219 S CA -0.009 58.224 58.200 0.056 0.000 1.008 219 S CB 0.429 63.661 63.200 0.053 0.000 0.898 219 S HN 0.843 nan 8.310 nan 0.000 0.555 220 T N -0.064 114.536 114.554 0.076 0.000 3.144 220 T HA 0.287 4.637 4.350 -0.000 0.000 0.249 220 T C 0.720 175.475 174.700 0.091 0.000 1.089 220 T CA 0.225 62.384 62.100 0.099 0.000 0.989 220 T CB -0.043 68.893 68.868 0.113 0.000 0.992 220 T HN 0.395 nan 8.240 nan 0.000 0.540 221 S N 0.242 115.994 115.700 0.086 0.000 2.820 221 S HA 0.178 4.648 4.470 -0.000 0.000 0.265 221 S C -0.499 174.167 174.600 0.109 0.000 1.043 221 S CA -0.592 57.666 58.200 0.096 0.000 1.245 221 S CB 0.264 63.517 63.200 0.088 0.000 1.187 221 S HN 0.392 nan 8.310 nan 0.000 0.673 222 D N 3.906 124.358 120.400 0.087 0.000 2.662 222 D HA 0.085 4.724 4.640 -0.000 0.000 0.237 222 D C -0.109 176.245 176.300 0.090 0.000 1.154 222 D CA 1.281 55.314 54.000 0.054 0.000 0.861 222 D CB 0.368 41.192 40.800 0.040 0.000 1.146 222 D HN 0.138 nan 8.370 nan 0.000 0.518 223 T N 0.927 115.496 114.554 0.023 0.000 2.893 223 T HA 0.732 5.082 4.350 -0.000 0.000 0.291 223 T C -0.525 174.032 174.700 -0.240 0.000 1.028 223 T CA -0.762 61.367 62.100 0.048 0.000 0.995 223 T CB 2.017 71.033 68.868 0.246 0.000 1.051 223 T HN 0.345 nan 8.240 nan 0.000 0.470 224 A N 2.159 124.811 122.820 -0.280 0.000 2.408 224 A HA 0.794 5.114 4.320 -0.000 0.000 0.295 224 A C -1.186 176.350 177.584 -0.080 0.000 1.040 224 A CA -0.613 51.276 52.037 -0.247 0.000 0.707 224 A CB 1.128 20.009 19.000 -0.199 0.000 1.235 224 A HN 0.673 nan 8.150 nan 0.000 0.418 225 V N 2.272 122.163 119.914 -0.038 0.000 2.841 225 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 225 V C -1.165 174.801 176.094 -0.214 0.000 1.090 225 V CA -0.595 61.574 62.300 -0.218 0.000 0.930 225 V CB 1.872 33.585 31.823 -0.184 0.000 1.014 225 V HN 0.939 nan 8.190 nan 0.000 0.425 226 L N 4.113 124.944 121.223 -0.653 0.000 2.319 226 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 226 L C -1.480 175.210 176.870 -0.300 0.000 1.005 226 L CA 0.001 54.637 54.840 -0.340 0.000 0.828 226 L CB 0.992 42.724 42.059 -0.546 0.000 1.227 226 L HN 0.452 nan 8.230 nan 0.000 0.415 227 F N 4.576 124.594 119.950 0.112 0.000 2.411 227 F HA 0.765 5.292 4.527 -0.000 0.000 0.352 227 F C 0.458 176.417 175.800 0.265 0.000 1.123 227 F CA -0.375 57.746 58.000 0.201 0.000 1.044 227 F CB 1.843 41.060 39.000 0.361 0.000 1.135 227 F HN 0.651 nan 8.300 nan 0.000 0.461 228 A N 3.719 126.775 122.820 0.393 0.000 2.332 228 A HA 0.652 4.972 4.320 -0.000 0.000 0.300 228 A C -1.155 176.565 177.584 0.227 0.000 1.153 228 A CA -0.835 51.370 52.037 0.280 0.000 0.764 228 A CB 0.614 19.641 19.000 0.044 0.000 1.174 228 A HN 0.719 nan 8.150 nan 0.000 0.467 229 N N 1.256 120.099 118.700 0.238 0.000 2.342 229 N HA 0.463 5.203 4.740 -0.000 0.000 0.293 229 N C 0.654 176.206 175.510 0.070 0.000 1.026 229 N CA -0.147 52.952 53.050 0.081 0.000 0.857 229 N CB 1.696 40.146 38.487 -0.062 0.000 1.256 229 N HN 0.390 nan 8.380 nan 0.000 0.484 230 G N 1.151 109.969 108.800 0.029 0.000 3.028 230 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.205 230 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.205 230 G C 0.826 175.742 174.900 0.026 0.000 1.182 230 G CA -0.108 45.005 45.100 0.021 0.000 0.860 230 G HN 0.677 nan 8.290 nan 0.000 0.507 231 L N -0.465 120.776 121.223 0.030 0.000 2.563 231 L HA -0.129 4.211 4.340 -0.000 0.000 0.230 231 L C 2.472 179.367 176.870 0.043 0.000 1.162 231 L CA 0.975 55.830 54.840 0.025 0.000 0.812 231 L CB -0.097 41.971 42.059 0.014 0.000 0.935 231 L HN 0.368 nan 8.230 nan 0.000 0.451 232 A N -0.799 122.055 122.820 0.056 0.000 2.545 232 A HA 0.528 4.848 4.320 -0.000 0.000 0.263 232 A C 0.985 178.595 177.584 0.043 0.000 1.202 232 A CA 0.348 52.419 52.037 0.058 0.000 0.959 232 A CB 0.253 19.303 19.000 0.084 0.000 1.124 232 A HN 0.381 nan 8.150 nan 0.000 0.543 233 G N -1.320 107.498 108.800 0.030 0.000 2.787 233 G HA2 0.394 4.354 3.960 -0.000 0.000 0.685 233 G HA3 0.394 4.354 3.960 -0.000 0.000 0.685 233 G C -0.102 174.808 174.900 0.017 0.000 1.437 233 G CA 0.089 45.202 45.100 0.021 0.000 0.872 233 G HN 1.637 nan 8.290 nan 0.000 0.566 234 E N -1.048 119.158 120.200 0.010 0.000 2.604 234 E HA 0.433 4.782 4.350 -0.000 0.000 0.267 234 E C 0.491 177.101 176.600 0.017 0.000 0.970 234 E CA 0.825 57.228 56.400 0.004 0.000 0.956 234 E CB 0.954 30.658 29.700 0.006 0.000 0.939 234 E HN 2.011 nan 8.360 nan 0.000 0.465 235 V N 3.503 123.425 119.914 0.013 0.000 2.686 235 V HA 0.215 4.335 4.120 -0.000 0.000 0.306 235 V C -0.108 176.016 176.094 0.051 0.000 1.065 235 V CA -0.936 61.393 62.300 0.048 0.000 0.894 235 V CB 2.106 33.977 31.823 0.081 0.000 1.004 235 V HN 1.021 nan 8.190 nan 0.000 0.424 236 D N 3.638 124.078 120.400 0.066 0.000 2.472 236 D HA 0.081 4.721 4.640 -0.000 0.000 0.248 236 D C 1.165 177.526 176.300 0.102 0.000 1.174 236 D CA 0.630 54.669 54.000 0.065 0.000 0.883 236 D CB 1.949 42.783 40.800 0.056 0.000 1.149 236 D HN 0.682 nan 8.370 nan 0.000 0.488 237 A N 4.636 127.506 122.820 0.084 0.000 1.873 237 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 237 A C 2.126 179.795 177.584 0.143 0.000 1.193 237 A CA 2.073 54.183 52.037 0.121 0.000 0.629 237 A CB -1.165 17.880 19.000 0.075 0.000 0.826 237 A HN 0.744 nan 8.150 nan 0.000 0.447 238 G N -0.583 108.269 108.800 0.086 0.000 2.553 238 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 238 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 238 G C 1.439 176.377 174.900 0.063 0.000 1.195 238 G CA 1.279 46.416 45.100 0.061 0.000 0.779 238 G HN 0.668 nan 8.290 nan 0.000 0.577 239 E N -0.569 119.675 120.200 0.073 0.000 2.058 239 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 239 E C 2.142 178.788 176.600 0.077 0.000 0.997 239 E CA 0.954 57.391 56.400 0.062 0.000 0.801 239 E CB -0.286 29.457 29.700 0.072 0.000 0.746 239 E HN 0.418 nan 8.360 nan 0.000 0.450 240 F N 1.935 121.893 119.950 0.013 0.000 2.154 240 F HA -0.240 4.287 4.527 -0.001 0.000 0.301 240 F C 2.255 178.062 175.800 0.013 0.000 1.087 240 F CA 1.852 59.862 58.000 0.018 0.000 1.274 240 F CB 0.003 39.017 39.000 0.024 0.000 1.009 240 F HN -0.013 nan 8.300 nan 0.000 0.485 241 E N 0.102 120.338 120.200 0.059 0.000 2.106 241 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 241 E C 2.295 178.841 176.600 -0.090 0.000 0.984 241 E CA 1.348 57.738 56.400 -0.017 0.000 0.806 241 E CB -0.162 29.571 29.700 0.055 0.000 0.750 241 E HN 0.597 nan 8.360 nan 0.000 0.458 242 E N 0.679 120.830 120.200 -0.083 0.000 2.072 242 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 242 E C 1.899 178.428 176.600 -0.119 0.000 0.985 242 E CA 1.321 57.661 56.400 -0.101 0.000 0.801 242 E CB -0.813 28.835 29.700 -0.086 0.000 0.750 242 E HN 0.466 nan 8.360 nan 0.000 0.452 243 A N 0.410 123.119 122.820 -0.186 0.000 1.845 243 A HA 0.072 4.392 4.320 -0.000 0.000 0.215 243 A C 2.495 179.917 177.584 -0.270 0.000 1.195 243 A CA 1.843 53.746 52.037 -0.224 0.000 0.616 243 A CB -0.658 18.169 19.000 -0.290 0.000 0.832 243 A HN 0.671 nan 8.150 nan 0.000 0.443 244 L N -0.808 120.123 121.223 -0.488 0.000 2.042 244 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 244 L C 2.436 179.157 176.870 -0.249 0.000 1.076 244 L CA 2.741 57.309 54.840 -0.452 0.000 0.749 244 L CB -0.723 40.988 42.059 -0.579 0.000 0.893 244 L HN 0.644 nan 8.230 nan 0.000 0.432 245 H N -1.051 117.861 119.070 -0.264 0.000 2.421 245 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 245 H C 1.791 177.014 175.328 -0.175 0.000 1.087 245 H CA 1.912 57.835 56.048 -0.209 0.000 1.330 245 H CB 0.030 29.689 29.762 -0.171 0.000 1.388 245 H HN 0.402 nan 8.280 nan 0.000 0.526 246 T N 0.596 115.191 114.554 0.068 0.000 2.770 246 T HA 0.009 4.358 4.350 -0.000 0.000 0.263 246 T C 2.284 176.975 174.700 -0.016 0.000 1.039 246 T CA 1.265 63.385 62.100 0.033 0.000 1.142 246 T CB -0.538 68.323 68.868 -0.011 0.000 0.868 246 T HN 0.476 nan 8.240 nan 0.000 0.435 247 A N 1.662 124.483 122.820 0.001 0.000 1.883 247 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 247 A C 2.624 180.297 177.584 0.147 0.000 1.186 247 A CA 2.042 54.140 52.037 0.102 0.000 0.624 247 A CB -1.185 17.967 19.000 0.252 0.000 0.822 247 A HN 0.508 nan 8.150 nan 0.000 0.444 248 A N -1.069 121.807 122.820 0.094 0.000 1.930 248 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 248 A C 2.101 179.445 177.584 -0.400 0.000 1.175 248 A CA 1.674 53.697 52.037 -0.024 0.000 0.627 248 A CB -0.487 18.362 19.000 -0.251 0.000 0.815 248 A HN 0.610 nan 8.150 nan 0.000 0.443 249 L N -0.459 120.553 121.223 -0.352 0.000 2.109 249 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 249 L C 2.643 179.335 176.870 -0.297 0.000 1.086 249 L CA 1.779 56.386 54.840 -0.388 0.000 0.760 249 L CB -0.816 41.086 42.059 -0.261 0.000 0.910 249 L HN 0.333 nan 8.230 nan 0.000 0.437 250 A N -0.325 122.393 122.820 -0.171 0.000 1.883 250 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 250 A C 2.211 179.719 177.584 -0.127 0.000 1.186 250 A CA 2.161 54.125 52.037 -0.122 0.000 0.624 250 A CB -0.921 18.042 19.000 -0.061 0.000 0.822 250 A HN 0.484 nan 8.150 nan 0.000 0.444 251 L N -0.658 120.503 121.223 -0.105 0.000 2.141 251 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 251 L C 2.446 179.257 176.870 -0.098 0.000 1.094 251 L CA 0.711 55.523 54.840 -0.045 0.000 0.763 251 L CB -0.593 41.522 42.059 0.093 0.000 0.908 251 L HN 0.218 nan 8.230 nan 0.000 0.437 252 V N 0.009 119.744 119.914 -0.299 0.000 2.295 252 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 252 V C 2.569 178.509 176.094 -0.256 0.000 1.049 252 V CA 1.761 63.863 62.300 -0.330 0.000 1.024 252 V CB -0.509 30.987 31.823 -0.545 0.000 0.648 252 V HN 0.411 nan 8.190 nan 0.000 0.447 253 K N -0.338 119.864 120.400 -0.330 0.000 2.057 253 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 253 K C 1.928 178.466 176.600 -0.105 0.000 1.049 253 K CA 1.688 57.828 56.287 -0.246 0.000 0.931 253 K CB -0.422 31.935 32.500 -0.239 0.000 0.714 253 K HN 0.459 nan 8.250 nan 0.000 0.440 254 D N 1.068 121.418 120.400 -0.084 0.000 2.133 254 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 254 D C 1.876 178.172 176.300 -0.006 0.000 0.997 254 D CA 1.118 55.099 54.000 -0.032 0.000 0.840 254 D CB -0.237 40.552 40.800 -0.018 0.000 0.947 254 D HN 0.206 nan 8.370 nan 0.000 0.452 255 I N 0.813 121.383 120.570 0.001 0.000 2.252 255 I HA -0.214 3.955 4.170 -0.000 0.000 0.245 255 I C 2.408 178.547 176.117 0.037 0.000 1.102 255 I CA 0.955 62.275 61.300 0.034 0.000 1.385 255 I CB -0.139 37.902 38.000 0.068 0.000 1.064 255 I HN -0.075 nan 8.210 nan 0.000 0.414 256 A N -0.094 122.741 122.820 0.025 0.000 1.969 256 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 256 A C 2.415 180.029 177.584 0.049 0.000 1.169 256 A CA 1.881 53.951 52.037 0.055 0.000 0.635 256 A CB -0.482 18.568 19.000 0.083 0.000 0.810 256 A HN 0.398 nan 8.150 nan 0.000 0.445 257 S N -0.580 115.137 115.700 0.029 0.000 2.446 257 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 257 S C 1.161 175.778 174.600 0.029 0.000 1.016 257 S CA 1.017 59.234 58.200 0.028 0.000 0.943 257 S CB -0.138 63.070 63.200 0.013 0.000 0.786 257 S HN 0.605 nan 8.310 nan 0.000 0.508 258 D N 1.501 121.918 120.400 0.029 0.000 2.388 258 D HA 0.246 4.886 4.640 -0.000 0.000 0.221 258 D C 0.764 177.088 176.300 0.040 0.000 1.133 258 D CA -0.221 53.796 54.000 0.028 0.000 0.831 258 D CB -0.241 40.572 40.800 0.022 0.000 0.962 258 D HN 0.280 nan 8.370 nan 0.000 0.502 259 G N 0.717 109.549 108.800 0.054 0.000 2.474 259 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.233 259 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.233 259 G C 0.134 175.085 174.900 0.084 0.000 1.278 259 G CA -0.340 44.807 45.100 0.079 0.000 0.861 259 G HN 0.247 nan 8.290 nan 0.000 0.567 260 E N 0.594 120.859 120.200 0.108 0.000 2.529 260 E HA 0.198 4.548 4.350 -0.000 0.000 0.259 260 E C 1.455 178.121 176.600 0.110 0.000 0.966 260 E CA 0.868 57.305 56.400 0.063 0.000 0.937 260 E CB 0.379 30.070 29.700 -0.016 0.000 0.923 260 E HN 0.909 nan 8.360 nan 0.000 0.468 261 G N 2.501 111.324 108.800 0.039 0.000 2.256 261 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.279 261 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.279 261 G C 0.408 175.342 174.900 0.057 0.000 0.998 261 G CA 0.502 45.628 45.100 0.044 0.000 0.720 261 G HN 0.747 nan 8.290 nan 0.000 0.521 262 A N -0.668 122.192 122.820 0.067 0.000 2.388 262 A HA 0.807 5.127 4.320 -0.000 0.000 0.257 262 A C 1.205 178.827 177.584 0.064 0.000 1.095 262 A CA 0.920 52.994 52.037 0.061 0.000 0.791 262 A CB 1.069 20.107 19.000 0.063 0.000 1.029 262 A HN 1.653 nan 8.150 nan 0.000 0.489 263 A N 1.852 124.726 122.820 0.089 0.000 2.469 263 A HA 0.443 4.763 4.320 -0.000 0.000 0.245 263 A C 0.358 177.978 177.584 0.060 0.000 1.221 263 A CA 0.429 52.519 52.037 0.089 0.000 0.946 263 A CB 0.014 19.102 19.000 0.147 0.000 1.049 263 A HN 0.877 nan 8.150 nan 0.000 0.529 264 K N -0.301 120.135 120.400 0.060 0.000 2.584 264 K HA 0.430 4.750 4.320 -0.000 0.000 0.260 264 K C -1.133 175.496 176.600 0.048 0.000 0.949 264 K CA -0.612 55.697 56.287 0.037 0.000 0.888 264 K CB 0.667 33.174 32.500 0.012 0.000 1.330 264 K HN 0.126 nan 8.250 nan 0.000 0.432 265 L N 4.212 125.466 121.223 0.051 0.000 2.416 265 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 265 L C -0.865 176.060 176.870 0.093 0.000 1.161 265 L CA -0.355 54.533 54.840 0.080 0.000 0.845 265 L CB 0.382 42.496 42.059 0.091 0.000 1.119 265 L HN 0.632 nan 8.230 nan 0.000 0.464 266 I N 5.119 125.752 120.570 0.105 0.000 2.378 266 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 266 I C -0.395 175.772 176.117 0.083 0.000 0.992 266 I CA -0.427 60.930 61.300 0.095 0.000 1.154 266 I CB 1.768 39.813 38.000 0.076 0.000 1.315 266 I HN 0.664 nan 8.210 nan 0.000 0.448 267 E N 5.825 126.054 120.200 0.048 0.000 2.199 267 E HA 0.520 4.870 4.350 -0.000 0.000 0.265 267 E C -1.742 174.789 176.600 -0.116 0.000 0.882 267 E CA -0.607 55.722 56.400 -0.118 0.000 0.759 267 E CB 2.396 32.080 29.700 -0.028 0.000 1.148 267 E HN 0.328 nan 8.360 nan 0.000 0.412 268 V N 5.256 125.053 119.914 -0.194 0.000 2.378 268 V HA 0.214 4.334 4.120 -0.000 0.000 0.288 268 V C -0.668 175.347 176.094 -0.131 0.000 1.016 268 V CA -0.587 61.643 62.300 -0.117 0.000 0.840 268 V CB 1.560 33.339 31.823 -0.072 0.000 0.994 268 V HN 0.692 nan 8.190 nan 0.000 0.431 269 Q N 4.211 123.951 119.800 -0.100 0.000 2.368 269 Q HA 0.567 4.907 4.340 -0.000 0.000 0.256 269 Q C -0.986 174.984 176.000 -0.050 0.000 0.980 269 Q CA -0.492 55.261 55.803 -0.083 0.000 0.887 269 Q CB 2.415 31.107 28.738 -0.077 0.000 1.221 269 Q HN 0.517 nan 8.270 nan 0.000 0.458 270 V N 2.966 122.869 119.914 -0.019 0.000 2.398 270 V HA 0.490 4.609 4.120 -0.000 0.000 0.286 270 V C 0.186 176.284 176.094 0.007 0.000 1.026 270 V CA -0.364 61.934 62.300 -0.003 0.000 0.868 270 V CB 1.541 33.375 31.823 0.018 0.000 0.982 270 V HN 0.919 nan 8.190 nan 0.000 0.443 271 T N 0.571 115.122 114.554 -0.005 0.000 2.901 271 T HA 0.721 5.071 4.350 -0.000 0.000 0.293 271 T C 0.781 175.479 174.700 -0.003 0.000 1.084 271 T CA 0.067 62.165 62.100 -0.003 0.000 1.008 271 T CB 1.864 70.723 68.868 -0.015 0.000 1.170 271 T HN 1.604 nan 8.240 nan 0.000 0.509 272 G N 0.307 109.106 108.800 -0.001 0.000 2.205 272 G HA2 0.013 3.972 3.960 -0.000 0.000 0.261 272 G HA3 0.013 3.972 3.960 -0.000 0.000 0.261 272 G C 0.579 175.480 174.900 0.002 0.000 0.980 272 G CA 0.109 45.208 45.100 -0.002 0.000 0.632 272 G HN 1.660 nan 8.290 nan 0.000 0.533 273 A N 0.422 123.246 122.820 0.006 0.000 2.521 273 A HA 0.498 4.817 4.320 -0.000 0.000 0.237 273 A C 1.614 179.200 177.584 0.004 0.000 1.087 273 A CA 1.382 53.422 52.037 0.005 0.000 0.777 273 A CB 0.004 19.010 19.000 0.011 0.000 1.035 273 A HN 1.454 nan 8.150 nan 0.000 0.510 274 R N 0.220 120.720 120.500 0.000 0.000 2.285 274 R HA -0.001 4.339 4.340 -0.000 0.000 0.213 274 R C -0.088 176.213 176.300 0.002 0.000 1.068 274 R CA 1.346 57.446 56.100 -0.000 0.000 1.004 274 R CB -0.266 30.032 30.300 -0.003 0.000 0.873 274 R HN 0.858 nan 8.270 nan 0.000 0.467 275 D N -1.985 118.419 120.400 0.005 0.000 2.913 275 D HA -0.034 4.605 4.640 -0.000 0.000 0.293 275 D C -0.785 175.527 176.300 0.020 0.000 1.238 275 D CA -0.556 53.451 54.000 0.012 0.000 0.738 275 D CB 0.035 40.838 40.800 0.005 0.000 1.254 275 D HN -0.194 nan 8.370 nan 0.000 0.429 276 D N 0.450 120.874 120.400 0.039 0.000 2.092 276 D HA -0.087 4.553 4.640 -0.000 0.000 0.193 276 D C 2.069 178.363 176.300 -0.011 0.000 0.994 276 D CA 2.697 56.742 54.000 0.075 0.000 0.828 276 D CB -0.752 40.130 40.800 0.137 0.000 0.963 276 D HN 0.563 nan 8.370 nan 0.000 0.450 277 A N 0.934 123.727 122.820 -0.046 0.000 1.915 277 A HA -0.345 3.975 4.320 -0.000 0.000 0.220 277 A C 2.152 179.667 177.584 -0.114 0.000 1.198 277 A CA 2.528 54.501 52.037 -0.107 0.000 0.647 277 A CB -0.943 18.017 19.000 -0.067 0.000 0.825 277 A HN 0.356 nan 8.150 nan 0.000 0.456 278 Q N -0.945 118.818 119.800 -0.062 0.000 2.020 278 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 278 Q C 2.302 178.269 176.000 -0.055 0.000 0.982 278 Q CA 1.686 57.458 55.803 -0.052 0.000 0.838 278 Q CB -0.407 28.315 28.738 -0.027 0.000 0.899 278 Q HN 0.614 nan 8.270 nan 0.000 0.423 279 A N 1.433 124.240 122.820 -0.022 0.000 1.927 279 A HA -0.304 4.015 4.320 -0.000 0.000 0.220 279 A C 2.054 179.627 177.584 -0.018 0.000 1.185 279 A CA 2.112 54.160 52.037 0.019 0.000 0.639 279 A CB -0.732 18.330 19.000 0.103 0.000 0.820 279 A HN 0.449 nan 8.150 nan 0.000 0.451 280 K N -0.830 119.459 120.400 -0.185 0.000 2.057 280 K HA -0.141 4.178 4.320 -0.000 0.000 0.206 280 K C 2.352 178.823 176.600 -0.216 0.000 1.050 280 K CA 1.231 57.272 56.287 -0.411 0.000 0.935 280 K CB -0.201 31.666 32.500 -1.056 0.000 0.715 280 K HN 0.454 nan 8.250 nan 0.000 0.439 281 R N 0.331 120.729 120.500 -0.169 0.000 2.094 281 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 281 R C 2.140 178.398 176.300 -0.069 0.000 1.137 281 R CA 1.984 58.020 56.100 -0.106 0.000 0.943 281 R CB -0.391 29.859 30.300 -0.082 0.000 0.850 281 R HN 0.072 nan 8.270 nan 0.000 0.433 282 V N 0.026 119.908 119.914 -0.053 0.000 2.295 282 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 282 V C 2.372 178.446 176.094 -0.032 0.000 1.049 282 V CA 2.126 64.404 62.300 -0.036 0.000 1.024 282 V CB -0.960 30.847 31.823 -0.027 0.000 0.648 282 V HN 0.704 nan 8.190 nan 0.000 0.447 283 G N -0.303 108.481 108.800 -0.026 0.000 2.446 283 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 283 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 283 G C 1.662 176.551 174.900 -0.020 0.000 1.168 283 G CA 0.691 45.782 45.100 -0.015 0.000 0.771 283 G HN 0.346 nan 8.290 nan 0.000 0.551 284 K N 0.351 120.732 120.400 -0.031 0.000 2.097 284 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 284 K C 2.724 179.310 176.600 -0.024 0.000 1.049 284 K CA 1.407 57.678 56.287 -0.025 0.000 0.933 284 K CB -1.026 31.449 32.500 -0.042 0.000 0.717 284 K HN 0.297 nan 8.250 nan 0.000 0.442 285 T N 1.265 115.801 114.554 -0.030 0.000 2.788 285 T HA -0.077 4.272 4.350 -0.000 0.000 0.268 285 T C 2.094 176.782 174.700 -0.021 0.000 1.044 285 T CA 1.121 63.206 62.100 -0.026 0.000 1.139 285 T CB -0.146 68.705 68.868 -0.028 0.000 0.867 285 T HN -0.094 nan 8.240 nan 0.000 0.454 286 V N 0.710 120.612 119.914 -0.020 0.000 2.283 286 V HA -0.072 4.048 4.120 -0.000 0.000 0.243 286 V C 2.557 178.648 176.094 -0.004 0.000 1.039 286 V CA 1.103 63.395 62.300 -0.014 0.000 1.016 286 V CB -0.600 31.211 31.823 -0.019 0.000 0.650 286 V HN 0.282 nan 8.190 nan 0.000 0.449 287 V N 0.810 120.721 119.914 -0.005 0.000 2.626 287 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 287 V C 1.886 177.977 176.094 -0.005 0.000 1.067 287 V CA 1.876 64.178 62.300 0.002 0.000 1.081 287 V CB -0.541 31.285 31.823 0.005 0.000 0.686 287 V HN 0.610 nan 8.190 nan 0.000 0.468 288 N N -0.215 118.477 118.700 -0.013 0.000 2.336 288 N HA 0.057 4.797 4.740 -0.000 0.000 0.189 288 N C 0.774 176.266 175.510 -0.030 0.000 1.113 288 N CA 0.402 53.438 53.050 -0.024 0.000 0.858 288 N CB 0.323 38.798 38.487 -0.021 0.000 0.970 288 N HN 0.372 nan 8.380 nan 0.000 0.471 289 S N 2.218 117.905 115.700 -0.022 0.000 2.429 289 S HA 0.171 4.641 4.470 -0.000 0.000 0.292 289 S C -1.458 173.126 174.600 -0.027 0.000 1.183 289 S CA -1.356 56.830 58.200 -0.023 0.000 1.088 289 S CB 0.948 64.140 63.200 -0.014 0.000 1.018 289 S HN -0.031 nan 8.310 nan 0.000 0.511 290 P HA -0.155 nan 4.420 nan 0.000 0.216 290 P C 1.385 178.666 177.300 -0.031 0.000 1.154 290 P CA 1.195 64.266 63.100 -0.048 0.000 0.865 290 P CB 0.061 31.732 31.700 -0.049 0.000 0.789 291 L N -1.546 119.663 121.223 -0.024 0.000 2.131 291 L HA -0.142 4.197 4.340 -0.000 0.000 0.210 291 L C 2.336 179.203 176.870 -0.004 0.000 1.092 291 L CA 1.218 56.047 54.840 -0.018 0.000 0.759 291 L CB -0.811 41.233 42.059 -0.025 0.000 0.903 291 L HN -0.092 nan 8.230 nan 0.000 0.435 292 V N -0.154 119.763 119.914 0.004 0.000 2.283 292 V HA -0.254 3.866 4.120 -0.000 0.000 0.243 292 V C 2.403 178.518 176.094 0.035 0.000 1.039 292 V CA 1.689 64.008 62.300 0.032 0.000 1.016 292 V CB -0.387 31.459 31.823 0.037 0.000 0.650 292 V HN 0.385 nan 8.190 nan 0.000 0.449 293 K N 0.617 121.024 120.400 0.013 0.000 2.063 293 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 293 K C 2.210 178.827 176.600 0.029 0.000 1.048 293 K CA 2.086 58.379 56.287 0.009 0.000 0.928 293 K CB -0.612 31.866 32.500 -0.036 0.000 0.713 293 K HN 0.730 nan 8.250 nan 0.000 0.442 294 T N -0.823 113.741 114.554 0.017 0.000 2.777 294 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 294 T C 2.156 176.902 174.700 0.077 0.000 1.040 294 T CA 0.935 63.064 62.100 0.049 0.000 1.141 294 T CB -0.379 68.499 68.868 0.017 0.000 0.868 294 T HN 0.171 nan 8.240 nan 0.000 0.444 295 A N 1.385 124.225 122.820 0.032 0.000 1.883 295 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 295 A C 2.663 180.244 177.584 -0.005 0.000 1.186 295 A CA 1.727 53.767 52.037 0.005 0.000 0.624 295 A CB -1.280 17.716 19.000 -0.006 0.000 0.822 295 A HN 0.392 nan 8.150 nan 0.000 0.444 296 V N -0.196 119.730 119.914 0.020 0.000 2.332 296 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 296 V C 2.492 178.591 176.094 0.007 0.000 1.055 296 V CA 2.570 64.873 62.300 0.005 0.000 1.038 296 V CB -1.041 30.812 31.823 0.049 0.000 0.651 296 V HN 0.873 nan 8.190 nan 0.000 0.450 297 H N 0.640 119.691 119.070 -0.031 0.000 2.489 297 H HA -0.068 4.488 4.556 -0.000 0.000 0.295 297 H C 1.948 177.256 175.328 -0.034 0.000 1.082 297 H CA 1.593 57.624 56.048 -0.028 0.000 1.295 297 H CB -0.269 29.481 29.762 -0.020 0.000 1.380 297 H HN 0.394 nan 8.280 nan 0.000 0.548 298 G N -2.303 106.411 108.800 -0.144 0.000 3.088 298 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 298 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 298 G C 0.631 175.437 174.900 -0.156 0.000 1.159 298 G CA 0.339 45.329 45.100 -0.183 0.000 0.760 298 G HN 0.564 nan 8.290 nan 0.000 0.550 299 C N 0.069 119.279 119.300 -0.149 0.000 4.497 299 C HA -0.151 4.309 4.460 -0.000 0.000 0.268 299 C C 0.546 175.442 174.990 -0.157 0.000 1.343 299 C CA -0.233 58.696 59.018 -0.148 0.000 1.742 299 C CB -2.300 25.361 27.740 -0.131 0.000 1.450 299 C HN 0.635 nan 8.230 nan 0.000 0.733 300 D N 2.537 122.851 120.400 -0.143 0.000 2.325 300 D HA 0.297 4.936 4.640 -0.000 0.000 0.251 300 D C -1.160 174.997 176.300 -0.238 0.000 1.196 300 D CA -1.713 52.200 54.000 -0.144 0.000 0.866 300 D CB 0.847 41.589 40.800 -0.096 0.000 1.101 300 D HN 0.358 nan 8.370 nan 0.000 0.476 301 P HA 0.045 nan 4.420 nan 0.000 0.228 301 P C -0.289 176.897 177.300 -0.191 0.000 1.748 301 P CA -0.458 62.227 63.100 -0.691 0.000 0.909 301 P CB -0.293 31.096 31.700 -0.517 0.000 1.882 302 N N 2.196 120.857 118.700 -0.066 0.000 2.416 302 N HA -0.065 4.675 4.740 -0.000 0.000 0.291 302 N C 1.387 177.024 175.510 0.211 0.000 1.257 302 N CA -0.118 52.940 53.050 0.013 0.000 1.043 302 N CB -0.026 38.433 38.487 -0.046 0.000 1.441 302 N HN 0.434 nan 8.380 nan 0.000 0.490 303 W N 2.340 123.825 121.300 0.308 0.000 2.425 303 W HA 0.024 4.684 4.660 -0.000 0.000 0.277 303 W C 1.255 177.788 176.519 0.023 0.000 1.231 303 W CA 0.486 57.953 57.345 0.203 0.000 1.248 303 W CB -1.145 28.420 29.460 0.175 0.000 1.117 303 W HN 0.278 nan 8.180 nan 0.000 0.568 304 G N 2.007 110.414 108.800 -0.654 0.000 2.459 304 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 304 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 304 G C 1.847 176.608 174.900 -0.232 0.000 1.183 304 G CA 1.575 46.296 45.100 -0.631 0.000 0.776 304 G HN 0.232 nan 8.290 nan 0.000 0.552 305 R N -0.293 120.118 120.500 -0.148 0.000 2.081 305 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 305 R C 2.698 178.984 176.300 -0.023 0.000 1.131 305 R CA 1.160 57.221 56.100 -0.066 0.000 0.960 305 R CB -0.709 29.572 30.300 -0.033 0.000 0.856 305 R HN 0.296 nan 8.270 nan 0.000 0.436 306 V N 1.779 121.710 119.914 0.027 0.000 2.287 306 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 306 V C 1.636 177.713 176.094 -0.028 0.000 1.053 306 V CA 1.516 63.826 62.300 0.017 0.000 1.027 306 V CB -0.786 31.048 31.823 0.018 0.000 0.646 306 V HN 0.411 nan 8.190 nan 0.000 0.447 310 I N 1.454 122.004 120.570 -0.033 0.000 2.118 310 I HA -0.215 3.955 4.170 -0.000 0.000 0.241 310 I C 2.699 178.800 176.117 -0.025 0.000 1.070 310 I CA 1.740 63.021 61.300 -0.031 0.000 1.327 310 I CB -0.648 37.330 38.000 -0.037 0.000 1.034 310 I HN 0.448 nan 8.210 nan 0.000 0.405 311 G N 1.326 110.111 108.800 -0.026 0.000 2.550 311 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.222 311 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.222 311 G C 1.658 176.548 174.900 -0.016 0.000 1.113 311 G CA 0.826 45.915 45.100 -0.018 0.000 0.748 311 G HN 0.402 nan 8.290 nan 0.000 0.585 312 K N -0.400 119.988 120.400 -0.020 0.000 2.211 312 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 312 K C 0.948 177.538 176.600 -0.017 0.000 1.047 312 K CA 0.641 56.917 56.287 -0.018 0.000 0.935 312 K CB -0.297 32.191 32.500 -0.020 0.000 0.728 312 K HN 0.300 nan 8.250 nan 0.000 0.452 313 C N 2.927 122.216 119.300 -0.018 0.000 3.183 313 C HA 0.083 4.543 4.460 -0.000 0.000 0.545 313 C C 1.783 176.765 174.990 -0.014 0.000 1.044 313 C CA -0.508 58.499 59.018 -0.018 0.000 1.117 313 C CB -2.031 25.697 27.740 -0.021 0.000 1.393 313 C HN 0.376 nan 8.230 nan 0.000 0.611 314 S N -0.279 115.414 115.700 -0.012 0.000 2.507 314 S HA -0.124 4.345 4.470 -0.000 0.000 0.235 314 S C 1.048 175.643 174.600 -0.008 0.000 0.988 314 S CA 1.035 59.230 58.200 -0.008 0.000 0.944 314 S CB -0.109 63.087 63.200 -0.007 0.000 0.762 314 S HN 0.693 nan 8.310 nan 0.000 0.526 315 D N 1.866 122.260 120.400 -0.010 0.000 2.333 315 D HA 0.053 4.693 4.640 -0.000 0.000 0.208 315 D C -0.481 175.813 176.300 -0.009 0.000 0.984 315 D CA 0.561 54.556 54.000 -0.009 0.000 0.873 315 D CB -0.223 40.570 40.800 -0.011 0.000 0.935 315 D HN 0.478 nan 8.370 nan 0.000 0.521 316 D N 0.336 120.730 120.400 -0.010 0.000 2.619 316 D HA 0.007 4.647 4.640 -0.000 0.000 0.224 316 D C 1.197 177.494 176.300 -0.005 0.000 1.133 316 D CA 0.076 54.070 54.000 -0.009 0.000 1.017 316 D CB 0.458 41.250 40.800 -0.013 0.000 1.077 316 D HN -0.017 nan 8.370 nan 0.000 0.503 317 T N -2.219 112.333 114.554 -0.004 0.000 3.155 317 T HA -0.159 4.191 4.350 -0.000 0.000 0.264 317 T C 1.067 175.767 174.700 0.001 0.000 1.160 317 T CA 0.153 62.253 62.100 -0.001 0.000 1.075 317 T CB -0.024 68.844 68.868 -0.000 0.000 0.921 317 T HN 0.209 nan 8.240 nan 0.000 0.533 318 D N 0.488 120.887 120.400 -0.001 0.000 2.328 318 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 318 D C 0.415 176.716 176.300 0.002 0.000 1.072 318 D CA -0.475 53.525 54.000 0.000 0.000 0.850 318 D CB -0.392 40.408 40.800 -0.001 0.000 0.922 318 D HN 0.475 nan 8.370 nan 0.000 0.516 319 I N 1.576 122.148 120.570 0.003 0.000 2.291 319 I HA 0.094 4.264 4.170 -0.000 0.000 0.292 319 I C -0.143 175.982 176.117 0.013 0.000 1.064 319 I CA -0.495 60.809 61.300 0.006 0.000 1.269 319 I CB 0.776 38.777 38.000 0.002 0.000 1.418 319 I HN -0.172 nan 8.210 nan 0.000 0.485 320 D N 6.265 126.677 120.400 0.019 0.000 2.359 320 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 320 D C 0.923 177.252 176.300 0.047 0.000 1.118 320 D CA -0.171 53.846 54.000 0.027 0.000 0.844 320 D CB 1.398 42.211 40.800 0.021 0.000 1.059 320 D HN 0.530 nan 8.370 nan 0.000 0.493 321 Q N 3.025 122.859 119.800 0.057 0.000 2.290 321 Q HA -0.231 4.109 4.340 -0.000 0.000 0.211 321 Q C 0.724 176.812 176.000 0.147 0.000 0.991 321 Q CA 1.688 57.549 55.803 0.096 0.000 0.893 321 Q CB 0.340 29.129 28.738 0.085 0.000 0.913 321 Q HN 0.603 nan 8.270 nan 0.000 0.428 322 E N -0.602 119.650 120.200 0.087 0.000 2.299 322 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 322 E C 1.754 178.369 176.600 0.024 0.000 0.998 322 E CA 0.348 56.781 56.400 0.054 0.000 0.851 322 E CB 0.143 29.856 29.700 0.022 0.000 0.795 322 E HN 0.364 nan 8.360 nan 0.000 0.492 323 R N 0.824 121.344 120.500 0.035 0.000 2.280 323 R HA 0.124 4.463 4.340 -0.000 0.000 0.195 323 R C 0.556 176.876 176.300 0.034 0.000 0.935 323 R CA -0.067 56.041 56.100 0.014 0.000 1.033 323 R CB 0.471 30.776 30.300 0.009 0.000 0.964 323 R HN -0.084 nan 8.270 nan 0.000 0.489 324 V N 2.139 122.110 119.914 0.095 0.000 2.715 324 V HA 0.058 4.178 4.120 -0.000 0.000 0.299 324 V C 0.572 176.781 176.094 0.192 0.000 1.054 324 V CA 0.208 62.587 62.300 0.131 0.000 1.077 324 V CB 1.310 33.220 31.823 0.146 0.000 0.972 324 V HN 0.334 nan 8.190 nan 0.000 0.484 325 T N 3.148 117.772 114.554 0.118 0.000 2.893 325 T HA 0.806 5.156 4.350 -0.000 0.000 0.293 325 T C -0.937 173.809 174.700 0.078 0.000 1.027 325 T CA -0.644 61.516 62.100 0.099 0.000 0.988 325 T CB 1.601 70.457 68.868 -0.021 0.000 1.043 325 T HN 0.341 nan 8.240 nan 0.000 0.461 326 I N 2.244 122.861 120.570 0.079 0.000 2.582 326 I HA 0.683 4.852 4.170 -0.000 0.000 0.292 326 I C -0.313 175.726 176.117 -0.130 0.000 1.066 326 I CA -1.229 60.035 61.300 -0.059 0.000 1.053 326 I CB 2.401 40.357 38.000 -0.073 0.000 1.241 326 I HN 0.867 nan 8.210 nan 0.000 0.421 327 R N 3.891 124.253 120.500 -0.229 0.000 2.698 327 R HA 0.683 5.022 4.340 -0.000 0.000 0.275 327 R C -2.108 174.011 176.300 -0.302 0.000 1.001 327 R CA -0.695 55.291 56.100 -0.189 0.000 0.896 327 R CB 1.564 31.806 30.300 -0.095 0.000 1.218 327 R HN 0.238 nan 8.270 nan 0.000 0.462 328 F N 1.794 121.757 119.950 0.022 0.000 2.426 328 F HA 0.636 5.163 4.527 0.000 0.000 0.348 328 F C 1.207 176.933 175.800 -0.123 0.000 1.124 328 F CA 0.702 58.724 58.000 0.037 0.000 1.008 328 F CB 1.830 40.905 39.000 0.125 0.000 1.139 328 F HN 1.044 nan 8.300 nan 0.000 0.452 329 G N 3.444 112.141 108.800 -0.172 0.000 2.528 329 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.262 329 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.262 329 G C 0.752 175.539 174.900 -0.188 0.000 1.200 329 G CA 0.190 44.976 45.100 -0.524 0.000 0.951 329 G HN 0.512 nan 8.290 nan 0.000 0.566 330 E N -0.327 119.788 120.200 -0.141 0.000 2.452 330 E HA 0.190 4.540 4.350 -0.000 0.000 0.197 330 E C 1.069 177.640 176.600 -0.048 0.000 1.022 330 E CA 0.435 56.788 56.400 -0.078 0.000 0.890 330 E CB 0.601 30.264 29.700 -0.062 0.000 0.918 330 E HN 0.380 nan 8.360 nan 0.000 0.496 331 V N 3.044 122.941 119.914 -0.028 0.000 2.470 331 V HA 0.011 4.131 4.120 -0.000 0.000 0.276 331 V C 0.497 176.599 176.094 0.013 0.000 1.040 331 V CA -0.092 62.209 62.300 0.003 0.000 1.008 331 V CB 0.636 32.480 31.823 0.035 0.000 0.990 331 V HN 0.107 nan 8.190 nan 0.000 0.477 332 E N 4.219 124.409 120.200 -0.017 0.000 2.259 332 E HA 0.274 4.624 4.350 -0.000 0.000 0.281 332 E C 0.411 176.987 176.600 -0.040 0.000 1.037 332 E CA -0.457 55.919 56.400 -0.040 0.000 0.854 332 E CB 1.502 31.160 29.700 -0.069 0.000 1.051 332 E HN 0.644 nan 8.360 nan 0.000 0.409 333 V N 2.552 122.445 119.914 -0.034 0.000 3.427 333 V HA 0.353 4.473 4.120 -0.000 0.000 0.305 333 V C -0.602 175.279 176.094 -0.355 0.000 1.412 333 V CA -0.404 61.847 62.300 -0.082 0.000 1.086 333 V CB -0.709 31.205 31.823 0.151 0.000 0.964 333 V HN 0.615 nan 8.190 nan 0.000 0.439 334 Y N 0.171 120.214 120.300 -0.430 0.000 2.390 334 Y HA 0.676 5.226 4.550 -0.001 0.000 0.324 334 Y C -3.212 172.504 175.900 -0.307 0.000 1.151 334 Y CA -2.045 55.722 58.100 -0.554 0.000 1.053 334 Y CB 2.394 40.496 38.460 -0.597 0.000 1.277 334 Y HN -0.001 nan 8.280 nan 0.000 0.432 335 P HA 0.156 nan 4.420 nan 0.000 0.269 335 P C -2.490 174.413 177.300 -0.662 0.000 1.217 335 P CA -0.454 61.903 63.100 -1.239 0.000 0.783 335 P CB 0.257 31.471 31.700 -0.811 0.000 0.898 345 D N 0.323 120.730 120.400 0.013 0.000 2.160 345 D HA 0.062 4.701 4.640 -0.000 0.000 0.189 345 D C 2.470 178.779 176.300 0.015 0.000 1.003 345 D CA 4.242 58.250 54.000 0.014 0.000 0.846 345 D CB -1.190 39.616 40.800 0.011 0.000 0.949 345 D HN 1.387 nan 8.370 nan 0.000 0.446 346 A N -0.166 122.661 122.820 0.012 0.000 1.892 346 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 346 A C 2.515 180.109 177.584 0.016 0.000 1.188 346 A CA 1.852 53.896 52.037 0.012 0.000 0.631 346 A CB -0.551 18.454 19.000 0.008 0.000 0.822 346 A HN 0.578 nan 8.150 nan 0.000 0.447 347 L N -1.343 119.890 121.223 0.017 0.000 2.027 347 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 347 L C 3.365 180.256 176.870 0.036 0.000 1.074 347 L CA 1.571 56.424 54.840 0.023 0.000 0.745 347 L CB -0.976 41.094 42.059 0.018 0.000 0.898 347 L HN 0.559 nan 8.230 nan 0.000 0.433 348 R N 0.589 121.111 120.500 0.038 0.000 2.117 348 R HA -0.116 4.224 4.340 -0.000 0.000 0.243 348 R C 2.246 178.568 176.300 0.037 0.000 1.143 348 R CA 1.720 57.849 56.100 0.047 0.000 0.968 348 R CB -1.698 28.629 30.300 0.046 0.000 0.863 348 R HN 0.524 nan 8.270 nan 0.000 0.444 349 A N 0.255 123.092 122.820 0.028 0.000 2.067 349 A HA 0.369 4.689 4.320 -0.000 0.000 0.219 349 A C 2.718 180.320 177.584 0.030 0.000 1.158 349 A CA 1.465 53.516 52.037 0.022 0.000 0.661 349 A CB -0.505 18.506 19.000 0.017 0.000 0.801 349 A HN 0.883 nan 8.150 nan 0.000 0.452 350 A N -0.619 122.223 122.820 0.037 0.000 1.898 350 A HA 0.105 4.424 4.320 -0.000 0.000 0.214 350 A C 2.164 179.794 177.584 0.075 0.000 1.183 350 A CA 1.438 53.504 52.037 0.047 0.000 0.622 350 A CB -0.765 18.257 19.000 0.037 0.000 0.824 350 A HN 0.298 nan 8.150 nan 0.000 0.444 351 V N 0.159 120.119 119.914 0.076 0.000 2.295 351 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 351 V C 3.082 179.214 176.094 0.063 0.000 1.049 351 V CA 1.913 64.274 62.300 0.103 0.000 1.024 351 V CB -1.296 30.587 31.823 0.099 0.000 0.648 351 V HN 0.614 nan 8.190 nan 0.000 0.447 352 A N -0.367 122.469 122.820 0.025 0.000 1.884 352 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 352 A C 2.206 179.789 177.584 -0.002 0.000 1.197 352 A CA 2.177 54.210 52.037 -0.006 0.000 0.637 352 A CB -0.585 18.413 19.000 -0.004 0.000 0.827 352 A HN 0.530 nan 8.150 nan 0.000 0.450 353 E N -1.272 118.943 120.200 0.026 0.000 2.150 353 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 353 E C 1.837 178.459 176.600 0.037 0.000 0.985 353 E CA 1.511 57.925 56.400 0.024 0.000 0.814 353 E CB -0.451 29.270 29.700 0.036 0.000 0.752 353 E HN 0.886 nan 8.360 nan 0.000 0.466 354 H N 0.335 119.403 119.070 -0.003 0.000 2.389 354 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 354 H C 1.970 177.293 175.328 -0.008 0.000 1.081 354 H CA 1.198 57.252 56.048 0.010 0.000 1.345 354 H CB -0.191 29.595 29.762 0.040 0.000 1.393 354 H HN 0.033 nan 8.280 nan 0.000 0.520 355 L N -0.142 121.010 121.223 -0.119 0.000 2.465 355 L HA 0.020 4.360 4.340 -0.000 0.000 0.224 355 L C 2.143 178.916 176.870 -0.162 0.000 1.145 355 L CA 0.688 55.414 54.840 -0.190 0.000 0.834 355 L CB -0.052 41.894 42.059 -0.188 0.000 0.944 355 L HN 0.231 nan 8.230 nan 0.000 0.451 356 R N -0.717 119.709 120.500 -0.123 0.000 2.246 356 R HA 0.127 4.467 4.340 -0.000 0.000 0.199 356 R C 1.122 177.365 176.300 -0.096 0.000 0.984 356 R CA 0.364 56.405 56.100 -0.099 0.000 1.015 356 R CB -0.020 30.240 30.300 -0.066 0.000 0.930 356 R HN 0.287 nan 8.270 nan 0.000 0.475 357 G N 1.351 110.078 108.800 -0.123 0.000 2.616 357 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.268 357 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.268 357 G C 0.056 174.895 174.900 -0.102 0.000 1.213 357 G CA -0.343 44.696 45.100 -0.101 0.000 0.926 357 G HN 0.174 nan 8.290 nan 0.000 0.523 358 D N -1.673 118.692 120.400 -0.059 0.000 2.328 358 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 358 D C 0.265 176.551 176.300 -0.023 0.000 1.066 358 D CA 0.216 54.196 54.000 -0.032 0.000 0.861 358 D CB 0.277 41.072 40.800 -0.008 0.000 0.912 358 D HN 0.433 nan 8.370 nan 0.000 0.521 359 E N -0.013 120.154 120.200 -0.055 0.000 2.302 359 E HA 0.378 4.728 4.350 -0.000 0.000 0.263 359 E C -1.458 175.090 176.600 -0.087 0.000 0.897 359 E CA -0.703 55.692 56.400 -0.007 0.000 0.809 359 E CB 2.527 32.257 29.700 0.050 0.000 1.270 359 E HN -0.107 nan 8.360 nan 0.000 0.410 360 V N 3.308 123.212 119.914 -0.016 0.000 2.448 360 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 360 V C -0.221 176.063 176.094 0.318 0.000 1.025 360 V CA -0.832 61.504 62.300 0.059 0.000 0.859 360 V CB 1.808 33.647 31.823 0.027 0.000 0.988 360 V HN 0.399 nan 8.190 nan 0.000 0.431 361 V N 6.394 126.662 119.914 0.591 0.000 2.328 361 V HA 0.458 4.577 4.120 -0.000 0.000 0.278 361 V C -0.051 176.151 176.094 0.180 0.000 1.021 361 V CA -0.328 62.129 62.300 0.261 0.000 0.838 361 V CB 1.388 33.294 31.823 0.137 0.000 0.999 361 V HN 0.677 nan 8.190 nan 0.000 0.447 362 I N 4.717 125.331 120.570 0.075 0.000 2.291 362 I HA 0.457 4.626 4.170 -0.000 0.000 0.290 362 I C 0.976 177.020 176.117 -0.121 0.000 1.050 362 I CA 0.003 61.249 61.300 -0.091 0.000 1.245 362 I CB 1.182 39.138 38.000 -0.073 0.000 1.405 362 I HN 0.690 nan 8.210 nan 0.000 0.478 363 G N 7.513 116.219 108.800 -0.156 0.000 2.332 363 G HA2 0.723 4.683 3.960 -0.000 0.000 0.310 363 G HA3 0.723 4.683 3.960 -0.000 0.000 0.310 363 G C -0.668 174.160 174.900 -0.121 0.000 1.123 363 G CA -0.356 44.676 45.100 -0.113 0.000 0.873 363 G HN 0.520 nan 8.290 nan 0.000 0.460 364 I N 1.761 122.281 120.570 -0.083 0.000 2.533 364 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 364 I C -1.205 174.890 176.117 -0.037 0.000 1.056 364 I CA -0.722 60.540 61.300 -0.063 0.000 1.057 364 I CB 2.635 40.599 38.000 -0.059 0.000 1.240 364 I HN 0.342 nan 8.210 nan 0.000 0.423 365 D N 6.510 126.897 120.400 -0.023 0.000 2.502 365 D HA 0.354 4.994 4.640 -0.000 0.000 0.249 365 D C 0.215 176.515 176.300 -0.001 0.000 1.092 365 D CA -0.392 53.599 54.000 -0.014 0.000 0.839 365 D CB 2.190 42.979 40.800 -0.019 0.000 1.264 365 D HN 0.473 nan 8.370 nan 0.000 0.511 366 L N 2.879 124.101 121.223 -0.001 0.000 2.567 366 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 366 L C 1.340 178.212 176.870 0.004 0.000 1.119 366 L CA 0.115 54.958 54.840 0.005 0.000 0.871 366 L CB -0.163 41.897 42.059 0.001 0.000 1.036 366 L HN 0.639 nan 8.230 nan 0.000 0.459 367 A N 0.482 123.301 122.820 -0.002 0.000 2.560 367 A HA -0.227 4.092 4.320 -0.000 0.000 0.299 367 A C 0.928 178.510 177.584 -0.003 0.000 1.484 367 A CA 1.142 53.176 52.037 -0.004 0.000 0.749 367 A CB -1.880 17.117 19.000 -0.006 0.000 1.072 367 A HN 0.521 nan 8.150 nan 0.000 0.426 368 I N -2.402 118.167 120.570 -0.002 0.000 3.650 368 I HA 0.496 4.666 4.170 -0.000 0.000 0.261 368 I C 1.251 177.367 176.117 -0.002 0.000 1.154 368 I CA 0.772 62.071 61.300 -0.001 0.000 1.418 368 I CB 0.295 38.295 38.000 -0.000 0.000 1.539 368 I HN 0.764 nan 8.210 nan 0.000 0.449 369 A N 0.158 122.977 122.820 -0.001 0.000 3.136 369 A HA 0.555 4.875 4.320 -0.000 0.000 0.299 369 A C -0.429 177.155 177.584 -0.000 0.000 1.197 369 A CA 0.450 52.487 52.037 -0.001 0.000 0.640 369 A CB -0.266 18.734 19.000 0.001 0.000 1.440 369 A HN 0.166 nan 8.150 nan 0.000 0.614 370 D N -0.223 120.178 120.400 0.001 0.000 2.388 370 D HA 0.458 5.098 4.640 -0.000 0.000 0.221 370 D C 0.684 176.989 176.300 0.008 0.000 1.133 370 D CA 0.487 54.488 54.000 0.001 0.000 0.831 370 D CB -0.075 40.724 40.800 -0.001 0.000 0.962 370 D HN 1.124 nan 8.370 nan 0.000 0.502 371 G N -0.390 108.418 108.800 0.014 0.000 2.380 371 G HA2 0.591 4.551 3.960 -0.000 0.000 0.262 371 G HA3 0.591 4.551 3.960 -0.000 0.000 0.262 371 G C -0.055 174.868 174.900 0.038 0.000 1.243 371 G CA 0.616 45.733 45.100 0.028 0.000 0.865 371 G HN 0.937 nan 8.290 nan 0.000 0.513 372 A N 1.478 124.336 122.820 0.062 0.000 2.594 372 A HA 0.899 5.219 4.320 -0.000 0.000 0.291 372 A C -1.643 176.040 177.584 0.165 0.000 1.105 372 A CA -0.672 51.410 52.037 0.076 0.000 0.694 372 A CB 1.873 20.886 19.000 0.023 0.000 1.291 372 A HN 1.244 nan 8.150 nan 0.000 0.410 373 F N -0.524 119.404 119.950 -0.036 0.000 2.725 373 F HA 0.597 5.123 4.527 -0.001 0.000 0.309 373 F C -0.775 174.985 175.800 -0.067 0.000 1.132 373 F CA 0.133 58.110 58.000 -0.037 0.000 0.957 373 F CB 1.917 40.897 39.000 -0.033 0.000 1.286 373 F HN 0.609 nan 8.300 nan 0.000 0.440 374 T N 3.968 118.371 114.554 -0.252 0.000 2.861 374 T HA 0.704 5.054 4.350 -0.000 0.000 0.287 374 T C -1.142 173.476 174.700 -0.136 0.000 1.003 374 T CA -0.604 61.382 62.100 -0.191 0.000 0.977 374 T CB 1.588 70.271 68.868 -0.308 0.000 0.996 374 T HN 0.671 nan 8.240 nan 0.000 0.448 375 V N 0.662 120.468 119.914 -0.179 0.000 2.914 375 V HA 0.805 4.925 4.120 -0.000 0.000 0.314 375 V C -1.751 174.110 176.094 -0.389 0.000 1.084 375 V CA -1.168 61.080 62.300 -0.088 0.000 0.963 375 V CB 1.391 33.258 31.823 0.072 0.000 1.025 375 V HN 0.812 nan 8.190 nan 0.000 0.432 376 Y N 1.118 121.445 120.300 0.044 0.000 2.468 376 Y HA 0.951 5.501 4.550 -0.000 0.000 0.342 376 Y C 0.755 176.672 175.900 0.029 0.000 1.021 376 Y CA 0.253 58.368 58.100 0.025 0.000 1.079 376 Y CB 2.536 40.994 38.460 -0.002 0.000 1.226 376 Y HN 1.181 nan 8.280 nan 0.000 0.460 377 G N -0.347 108.553 108.800 0.166 0.000 2.731 377 G HA2 0.605 4.565 3.960 -0.000 0.000 0.309 377 G HA3 0.605 4.565 3.960 -0.000 0.000 0.309 377 G C -1.455 173.499 174.900 0.089 0.000 1.273 377 G CA -0.399 44.763 45.100 0.102 0.000 0.798 377 G HN 1.041 nan 8.290 nan 0.000 0.509 378 C N -0.493 118.839 119.300 0.053 0.000 3.291 378 C HA 0.819 5.278 4.460 -0.000 0.000 0.316 378 C C -0.863 174.140 174.990 0.021 0.000 1.391 378 C CA -0.688 58.359 59.018 0.048 0.000 1.394 378 C CB 1.365 29.135 27.740 0.050 0.000 1.744 378 C HN 0.979 nan 8.230 nan 0.000 0.461 379 D N 0.774 121.194 120.400 0.033 0.000 2.358 379 D HA 0.432 5.072 4.640 -0.000 0.000 0.244 379 D C -0.544 175.731 176.300 -0.042 0.000 1.163 379 D CA -0.341 53.675 54.000 0.027 0.000 0.945 379 D CB 0.712 41.572 40.800 0.100 0.000 1.152 379 D HN 0.667 nan 8.370 nan 0.000 0.451 380 L N 0.943 122.116 121.223 -0.084 0.000 2.275 380 L HA 0.454 4.793 4.340 -0.000 0.000 0.288 380 L C -0.097 176.605 176.870 -0.281 0.000 1.046 380 L CA 0.068 54.800 54.840 -0.180 0.000 0.805 380 L CB 0.784 42.739 42.059 -0.174 0.000 1.193 380 L HN 0.744 nan 8.230 nan 0.000 0.426 381 T N 0.060 114.431 114.554 -0.304 0.000 2.907 381 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 381 T C 0.718 175.281 174.700 -0.228 0.000 1.066 381 T CA -0.507 61.261 62.100 -0.554 0.000 1.012 381 T CB 1.228 69.818 68.868 -0.465 0.000 1.184 381 T HN 0.580 nan 8.240 nan 0.000 0.522 382 E N 0.794 120.873 120.200 -0.202 0.000 2.209 382 E HA 0.057 4.406 4.350 -0.000 0.000 0.196 382 E C 2.194 178.789 176.600 -0.008 0.000 0.993 382 E CA 1.487 57.857 56.400 -0.050 0.000 0.819 382 E CB -0.674 29.021 29.700 -0.008 0.000 0.745 382 E HN 0.845 nan 8.360 nan 0.000 0.477 383 G N 0.023 108.814 108.800 -0.016 0.000 2.422 383 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 383 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 383 G C 1.413 176.327 174.900 0.022 0.000 1.146 383 G CA 0.821 45.923 45.100 0.003 0.000 0.769 383 G HN 0.314 nan 8.290 nan 0.000 0.547 384 Y N 1.104 121.363 120.300 -0.068 0.000 2.200 384 Y HA -0.067 4.483 4.550 -0.000 0.000 0.290 384 Y C 2.787 178.666 175.900 -0.034 0.000 1.137 384 Y CA 1.399 59.469 58.100 -0.051 0.000 1.163 384 Y CB -0.259 38.168 38.460 -0.055 0.000 0.988 384 Y HN 0.035 nan 8.280 nan 0.000 0.518 385 V N 0.882 120.926 119.914 0.217 0.000 2.295 385 V HA -0.312 3.807 4.120 -0.000 0.000 0.246 385 V C 2.497 178.606 176.094 0.025 0.000 1.049 385 V CA 2.320 64.702 62.300 0.136 0.000 1.024 385 V CB -0.787 31.095 31.823 0.099 0.000 0.648 385 V HN 0.350 nan 8.190 nan 0.000 0.447 386 R N -0.091 120.418 120.500 0.016 0.000 2.091 386 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 386 R C 2.192 178.492 176.300 -0.001 0.000 1.136 386 R CA 1.802 57.909 56.100 0.011 0.000 0.959 386 R CB -0.371 29.936 30.300 0.013 0.000 0.856 386 R HN 0.471 nan 8.270 nan 0.000 0.437 387 L N 0.413 121.592 121.223 -0.073 0.000 1.988 387 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 387 L C 1.761 178.579 176.870 -0.087 0.000 1.071 387 L CA 1.226 55.995 54.840 -0.120 0.000 0.744 387 L CB -0.509 41.415 42.059 -0.225 0.000 0.893 387 L HN 0.258 nan 8.230 nan 0.000 0.433 388 N N -0.015 118.558 118.700 -0.212 0.000 2.571 388 N HA -0.057 4.683 4.740 -0.000 0.000 0.189 388 N C 1.587 177.063 175.510 -0.056 0.000 1.154 388 N CA 1.089 54.031 53.050 -0.180 0.000 0.907 388 N CB 0.245 38.506 38.487 -0.376 0.000 0.977 388 N HN 0.436 nan 8.380 nan 0.000 0.449 389 S N 0.413 116.105 115.700 -0.013 0.000 2.514 389 S HA 0.128 4.598 4.470 -0.000 0.000 0.223 389 S C 1.618 176.237 174.600 0.031 0.000 1.046 389 S CA 0.055 58.263 58.200 0.014 0.000 0.914 389 S CB 0.361 63.572 63.200 0.019 0.000 0.807 389 S HN 0.167 nan 8.310 nan 0.000 0.497 390 E N -0.892 119.360 120.200 0.085 0.000 2.465 390 E HA 0.174 4.523 4.350 -0.000 0.000 0.209 390 E C -1.010 175.619 176.600 0.049 0.000 0.951 390 E CA 0.018 56.469 56.400 0.085 0.000 0.997 390 E CB 0.622 30.412 29.700 0.149 0.000 1.025 390 E HN 0.572 nan 8.360 nan 0.000 0.500 391 Y N 1.349 121.620 120.300 -0.049 0.000 2.526 391 Y HA 0.204 4.754 4.550 -0.000 0.000 0.328 391 Y C -0.274 175.595 175.900 -0.051 0.000 0.995 391 Y CA -1.232 56.841 58.100 -0.045 0.000 1.304 391 Y CB 1.006 39.438 38.460 -0.046 0.000 1.096 391 Y HN -0.179 nan 8.280 nan 0.000 0.499 392 T N 0.172 114.761 114.554 0.057 0.000 2.897 392 T HA 0.657 5.007 4.350 -0.000 0.000 0.294 392 T C 0.181 174.890 174.700 0.015 0.000 1.004 392 T CA -0.248 61.864 62.100 0.020 0.000 1.106 392 T CB 1.596 70.461 68.868 -0.006 0.000 0.949 392 T HN 0.684 nan 8.240 nan 0.000 0.520 393 T N 0.000 114.555 114.554 0.001 0.000 3.816 393 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 393 T CA 0.000 62.097 62.100 -0.004 0.000 1.349 393 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 393 T HN 0.000 nan 8.240 nan 0.000 0.658