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 2x08_1_A DATA FIRST_RESID 2 DATA SEQUENCE TPLVHVASVE KGRSYEDFQK VYNAIALKLR EDDEADNYIG YGPVLVRLAW DATA SEQUENCE HTSGTWDKHD NTGGSYGGTY RFKKEFNDPS NAGLQNGFKF LEPIHKEFPW DATA SEQUENCE ISSGDLFSLG GVTAVQEMQG PKIPWRCGRV DTPEDTTPDN GRLPDADKDA DATA SEQUENCE DYVRTFFQRL NMNDREVVAL MGAHALGKTH LKRSGYEGPF GAANNVFTNE DATA SEQUENCE FYLNLLNEDW KLEKNDANNE QWDSKSGYMM LPTDYSLIQD PKYLSIVKEY DATA SEQUENCE ANDQDRFFKD FSKAFEKLLE NGITFPKDAP SPFIFKTLEE QGL 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.676 174.700 -0.040 0.000 1.109 2 T CA 0.000 62.082 62.100 -0.031 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 P HA 0.563 nan 4.420 nan 0.000 0.273 3 P C 0.250 177.496 177.300 -0.090 0.000 1.258 3 P CA -0.725 62.341 63.100 -0.056 0.000 0.802 3 P CB 0.064 31.735 31.700 -0.048 0.000 1.040 4 L N -1.220 119.928 121.223 -0.125 0.000 2.482 4 L HA 0.463 6.770 4.340 3.277 0.000 0.273 4 L C 0.714 177.389 176.870 -0.326 0.000 1.228 4 L CA -0.424 54.276 54.840 -0.234 0.000 0.827 4 L CB -1.072 40.804 42.059 -0.305 0.000 1.099 4 L HN 0.489 nan 8.230 nan 0.000 0.494 5 V N -0.226 119.446 119.914 -0.403 0.000 2.588 5 V HA 0.654 6.741 4.120 3.277 0.000 0.304 5 V C -0.470 175.304 176.094 -0.534 0.000 1.042 5 V CA -0.760 61.316 62.300 -0.373 0.000 0.877 5 V CB 1.376 33.081 31.823 -0.196 0.000 0.996 5 V HN 0.999 nan 8.190 nan 0.000 0.425 6 H N 3.586 122.420 119.070 -0.394 0.000 2.762 6 H HA 0.640 7.161 4.556 3.274 0.000 0.310 6 H C -0.961 173.987 175.328 -0.633 0.000 1.004 6 H CA -0.866 54.691 56.048 -0.817 0.000 1.267 6 H CB 1.928 30.815 29.762 -1.458 0.000 1.437 6 H HN 0.588 nan 8.280 nan 0.000 0.498 7 V N 2.694 122.479 119.914 -0.214 0.000 2.407 7 V HA 0.340 6.427 4.120 3.277 0.000 0.278 7 V C 0.582 176.726 176.094 0.084 0.000 1.037 7 V CA -0.853 61.393 62.300 -0.090 0.000 0.900 7 V CB 1.123 32.928 31.823 -0.030 0.000 0.983 7 V HN 0.911 nan 8.190 nan 0.000 0.459 8 A N 4.062 126.844 122.820 -0.064 0.000 2.548 8 A HA 0.395 6.681 4.320 3.277 0.000 0.247 8 A C 0.531 178.150 177.584 0.058 0.000 1.067 8 A CA 0.398 52.417 52.037 -0.030 0.000 0.757 8 A CB 0.159 18.985 19.000 -0.290 0.000 0.996 8 A HN 0.829 nan 8.150 nan 0.000 0.504 9 S N 2.693 118.444 115.700 0.084 0.000 2.707 9 S HA 0.432 6.868 4.470 3.277 0.000 0.312 9 S C -0.419 174.247 174.600 0.109 0.000 1.116 9 S CA -0.588 57.668 58.200 0.092 0.000 1.078 9 S CB 0.496 63.755 63.200 0.099 0.000 0.997 9 S HN 0.699 nan 8.310 nan 0.000 0.477 10 V N 5.215 125.209 119.914 0.133 0.000 2.540 10 V HA 0.063 6.149 4.120 3.277 0.000 0.297 10 V C 0.418 176.646 176.094 0.223 0.000 1.024 10 V CA -0.102 62.320 62.300 0.203 0.000 1.105 10 V CB -0.085 31.863 31.823 0.208 0.000 0.938 10 V HN 0.827 nan 8.190 nan 0.000 0.482 11 E N 3.864 124.256 120.200 0.320 0.000 2.820 11 E HA -0.072 6.244 4.350 3.277 0.000 0.251 11 E C 0.359 177.056 176.600 0.161 0.000 0.944 11 E CA 0.380 56.951 56.400 0.285 0.000 0.955 11 E CB 0.044 30.026 29.700 0.469 0.000 0.904 11 E HN 0.520 nan 8.360 nan 0.000 0.513 12 K N 2.178 122.644 120.400 0.109 0.000 2.473 12 K HA -0.044 6.243 4.320 3.277 0.000 0.277 12 K C 0.973 177.562 176.600 -0.018 0.000 1.052 12 K CA 1.076 57.394 56.287 0.052 0.000 1.114 12 K CB -0.231 32.298 32.500 0.047 0.000 0.869 12 K HN 0.751 nan 8.250 nan 0.000 0.481 13 G N 3.440 112.231 108.800 -0.015 0.000 2.179 13 G HA2 -0.235 5.691 3.960 3.277 0.000 0.260 13 G HA3 -0.235 5.691 3.960 3.277 0.000 0.260 13 G C -0.196 174.632 174.900 -0.119 0.000 0.977 13 G CA -0.080 44.983 45.100 -0.062 0.000 0.641 13 G HN 0.570 nan 8.290 nan 0.000 0.533 14 R N 0.748 121.182 120.500 -0.110 0.000 2.457 14 R HA 0.724 7.030 4.340 3.277 0.000 0.284 14 R C 0.575 176.918 176.300 0.071 0.000 1.024 14 R CA 0.421 56.393 56.100 -0.214 0.000 1.025 14 R CB 1.440 31.477 30.300 -0.439 0.000 1.063 14 R HN 0.741 nan 8.270 nan 0.000 0.493 15 S N 0.323 116.043 115.700 0.033 0.000 2.811 15 S HA 0.197 6.633 4.470 3.277 0.000 0.311 15 S C 0.942 175.644 174.600 0.170 0.000 1.152 15 S CA -0.824 57.501 58.200 0.207 0.000 0.864 15 S CB 0.657 63.935 63.200 0.129 0.000 1.226 15 S HN 0.696 nan 8.310 nan 0.000 0.541 16 Y N 1.153 121.362 120.300 -0.152 0.000 2.069 16 Y HA -0.206 6.310 4.550 3.276 0.000 0.278 16 Y C 2.900 178.725 175.900 -0.125 0.000 1.175 16 Y CA 3.492 61.269 58.100 -0.538 0.000 1.134 16 Y CB -1.076 37.178 38.460 -0.344 0.000 0.965 16 Y HN 0.926 nan 8.280 nan 0.000 0.498 17 E N 0.476 120.675 120.200 -0.001 0.000 2.097 17 E HA -0.281 6.035 4.350 3.277 0.000 0.196 17 E C 1.715 178.223 176.600 -0.154 0.000 1.000 17 E CA 1.820 58.168 56.400 -0.087 0.000 0.804 17 E CB -1.022 28.682 29.700 0.007 0.000 0.740 17 E HN 0.728 nan 8.360 nan 0.000 0.454 18 D N -0.697 119.589 120.400 -0.190 0.000 2.123 18 D HA -0.094 6.512 4.640 3.277 0.000 0.196 18 D C 1.839 177.990 176.300 -0.247 0.000 0.992 18 D CA 1.385 55.204 54.000 -0.302 0.000 0.833 18 D CB -0.322 40.042 40.800 -0.727 0.000 0.954 18 D HN 0.564 nan 8.370 nan 0.000 0.455 19 F N 0.669 120.582 119.950 -0.061 0.000 2.293 19 F HA -0.070 6.424 4.527 3.278 0.000 0.297 19 F C 2.638 178.107 175.800 -0.551 0.000 1.089 19 F CA 0.305 58.230 58.000 -0.125 0.000 1.377 19 F CB -0.264 38.835 39.000 0.165 0.000 1.051 19 F HN -0.154 nan 8.300 nan 0.000 0.511 20 Q N 1.343 120.934 119.800 -0.348 0.000 2.135 20 Q HA -0.202 6.105 4.340 3.277 0.000 0.204 20 Q C 1.838 177.625 176.000 -0.355 0.000 0.981 20 Q CA 1.765 57.275 55.803 -0.488 0.000 0.856 20 Q CB -0.223 28.250 28.738 -0.442 0.000 0.902 20 Q HN 0.291 nan 8.270 nan 0.000 0.425 21 K N -0.980 119.249 120.400 -0.286 0.000 2.057 21 K HA -0.107 6.179 4.320 3.277 0.000 0.207 21 K C 1.997 178.264 176.600 -0.556 0.000 1.049 21 K CA 1.505 57.641 56.287 -0.252 0.000 0.931 21 K CB -0.115 32.349 32.500 -0.060 0.000 0.714 21 K HN 0.080 nan 8.250 nan 0.000 0.440 22 V N 0.673 120.067 119.914 -0.868 0.000 2.270 22 V HA -0.273 5.813 4.120 3.277 0.000 0.245 22 V C 2.013 177.771 176.094 -0.560 0.000 1.043 22 V CA 1.674 63.341 62.300 -1.054 0.000 1.014 22 V CB -0.614 30.652 31.823 -0.927 0.000 0.645 22 V HN 0.282 nan 8.190 nan 0.000 0.447 23 Y N 1.596 121.481 120.300 -0.692 0.000 2.030 23 Y HA -0.390 6.126 4.550 3.277 0.000 0.272 23 Y C 2.490 178.182 175.900 -0.348 0.000 1.185 23 Y CA 2.559 60.302 58.100 -0.594 0.000 1.120 23 Y CB -0.463 37.475 38.460 -0.870 0.000 0.955 23 Y HN 0.337 nan 8.280 nan 0.000 0.495 24 N N -0.265 118.474 118.700 0.065 0.000 2.104 24 N HA -0.224 6.482 4.740 3.277 0.000 0.190 24 N C 1.943 177.453 175.510 -0.001 0.000 1.024 24 N CA 0.745 53.852 53.050 0.095 0.000 0.853 24 N CB -0.347 38.165 38.487 0.041 0.000 1.008 24 N HN 0.508 nan 8.380 nan 0.000 0.424 25 A N 1.135 123.934 122.820 -0.035 0.000 1.933 25 A HA -0.104 6.182 4.320 3.277 0.000 0.218 25 A C 2.089 179.635 177.584 -0.063 0.000 1.175 25 A CA 1.046 53.087 52.037 0.007 0.000 0.628 25 A CB -0.530 18.588 19.000 0.197 0.000 0.814 25 A HN 0.187 nan 8.150 nan 0.000 0.444 26 I N -0.268 120.224 120.570 -0.130 0.000 2.252 26 I HA -0.227 5.910 4.170 3.277 0.000 0.245 26 I C 2.936 179.031 176.117 -0.037 0.000 1.102 26 I CA 1.028 62.284 61.300 -0.074 0.000 1.385 26 I CB -0.320 37.581 38.000 -0.166 0.000 1.064 26 I HN 0.319 nan 8.210 nan 0.000 0.414 27 A N 0.851 123.578 122.820 -0.156 0.000 1.902 27 A HA -0.150 6.137 4.320 3.277 0.000 0.217 27 A C 2.320 179.905 177.584 0.001 0.000 1.181 27 A CA 1.453 53.424 52.037 -0.110 0.000 0.623 27 A CB -0.853 18.079 19.000 -0.113 0.000 0.818 27 A HN 0.373 nan 8.150 nan 0.000 0.443 28 L N -0.875 120.351 121.223 0.005 0.000 2.056 28 L HA -0.166 6.140 4.340 3.277 0.000 0.207 28 L C 2.649 179.530 176.870 0.018 0.000 1.078 28 L CA 1.863 56.713 54.840 0.016 0.000 0.749 28 L CB -0.345 41.718 42.059 0.006 0.000 0.901 28 L HN 0.420 nan 8.230 nan 0.000 0.433 29 K N 0.348 120.747 120.400 -0.002 0.000 2.148 29 K HA -0.138 6.148 4.320 3.277 0.000 0.204 29 K C 2.148 178.869 176.600 0.201 0.000 1.050 29 K CA 0.874 57.141 56.287 -0.033 0.000 0.942 29 K CB 0.043 32.345 32.500 -0.331 0.000 0.724 29 K HN 0.228 nan 8.250 nan 0.000 0.446 30 L N 0.433 121.827 121.223 0.287 0.000 2.017 30 L HA -0.187 6.119 4.340 3.277 0.000 0.208 30 L C 2.770 179.732 176.870 0.154 0.000 1.073 30 L CA 1.318 56.299 54.840 0.235 0.000 0.745 30 L CB -0.370 41.741 42.059 0.086 0.000 0.894 30 L HN 0.223 nan 8.230 nan 0.000 0.432 31 R N 0.032 120.594 120.500 0.103 0.000 2.096 31 R HA -0.243 6.063 4.340 3.277 0.000 0.235 31 R C 2.205 178.556 176.300 0.086 0.000 1.127 31 R CA 1.871 58.021 56.100 0.083 0.000 0.968 31 R CB 0.004 30.340 30.300 0.062 0.000 0.861 31 R HN 0.279 nan 8.270 nan 0.000 0.440 32 E N 0.543 120.792 120.200 0.081 0.000 2.076 32 E HA -0.121 6.195 4.350 3.277 0.000 0.190 32 E C 0.237 176.887 176.600 0.084 0.000 0.979 32 E CA 1.433 57.869 56.400 0.060 0.000 0.807 32 E CB 0.138 29.847 29.700 0.014 0.000 0.761 32 E HN 0.220 nan 8.360 nan 0.000 0.454 33 D N 1.483 121.973 120.400 0.149 0.000 2.561 33 D HA -0.035 6.571 4.640 3.277 0.000 0.232 33 D C 0.496 176.902 176.300 0.175 0.000 1.198 33 D CA 0.454 54.578 54.000 0.207 0.000 0.826 33 D CB -0.080 40.937 40.800 0.362 0.000 0.992 33 D HN 0.410 nan 8.370 nan 0.000 0.490 34 D N 0.830 121.291 120.400 0.103 0.000 2.218 34 D HA -0.312 6.294 4.640 3.277 0.000 0.194 34 D C 1.401 177.642 176.300 -0.099 0.000 1.007 34 D CA 2.123 56.160 54.000 0.062 0.000 0.879 34 D CB -0.131 40.740 40.800 0.119 0.000 0.918 34 D HN 0.407 nan 8.370 nan 0.000 0.449 35 E N 0.947 120.969 120.200 -0.297 0.000 2.299 35 E HA 0.361 6.677 4.350 3.277 0.000 0.193 35 E C 1.515 177.729 176.600 -0.642 0.000 0.998 35 E CA 0.612 56.447 56.400 -0.941 0.000 0.851 35 E CB -0.524 28.726 29.700 -0.750 0.000 0.795 35 E HN 0.774 nan 8.360 nan 0.000 0.492 36 A N 0.924 123.556 122.820 -0.314 0.000 2.507 36 A HA 0.337 6.623 4.320 3.277 0.000 0.235 36 A C 0.666 178.084 177.584 -0.276 0.000 1.070 36 A CA 0.497 52.355 52.037 -0.300 0.000 0.768 36 A CB -0.056 18.660 19.000 -0.473 0.000 1.011 36 A HN 0.344 nan 8.150 nan 0.000 0.502 37 D N 0.443 120.711 120.400 -0.219 0.000 2.686 37 D HA -0.172 6.435 4.640 3.277 0.000 0.235 37 D C -0.090 176.187 176.300 -0.039 0.000 1.160 37 D CA 1.723 55.661 54.000 -0.102 0.000 0.645 37 D CB -1.351 39.404 40.800 -0.076 0.000 1.039 37 D HN 0.722 nan 8.370 nan 0.000 0.423 38 N N -0.359 118.319 118.700 -0.037 0.000 2.756 38 N HA -0.290 6.416 4.740 3.277 0.000 0.248 38 N C -0.049 175.578 175.510 0.194 0.000 1.062 38 N CA 1.246 54.346 53.050 0.083 0.000 0.696 38 N CB -1.616 36.926 38.487 0.091 0.000 0.946 38 N HN 0.595 nan 8.380 nan 0.000 0.548 39 Y N -3.166 117.129 120.300 -0.008 0.000 4.668 39 Y HA -0.302 6.215 4.550 3.277 0.000 0.234 39 Y C 1.637 177.534 175.900 -0.004 0.000 1.056 39 Y CA 0.921 59.022 58.100 0.001 0.000 2.025 39 Y CB -2.035 36.431 38.460 0.010 0.000 1.613 39 Y HN 0.448 nan 8.280 nan 0.000 0.653 40 I N -0.560 120.032 120.570 0.037 0.000 2.333 40 I HA 0.073 6.209 4.170 3.277 0.000 0.246 40 I C 1.777 177.881 176.117 -0.022 0.000 1.106 40 I CA 1.375 62.682 61.300 0.011 0.000 1.411 40 I CB -0.374 37.621 38.000 -0.008 0.000 1.082 40 I HN 0.551 nan 8.210 nan 0.000 0.420 41 G N -0.266 108.479 108.800 -0.092 0.000 2.610 41 G HA2 -0.281 5.645 3.960 3.277 0.000 0.304 41 G HA3 -0.281 5.645 3.960 3.277 0.000 0.304 41 G C -0.363 174.424 174.900 -0.188 0.000 1.309 41 G CA -0.334 44.717 45.100 -0.081 0.000 0.906 41 G HN 0.123 nan 8.290 nan 0.000 0.521 42 Y N 1.743 121.957 120.300 -0.144 0.000 2.457 42 Y HA 0.301 6.817 4.550 3.276 0.000 0.263 42 Y C 2.666 178.380 175.900 -0.310 0.000 1.164 42 Y CA 1.295 59.220 58.100 -0.292 0.000 1.274 42 Y CB 0.316 38.406 38.460 -0.617 0.000 1.097 42 Y HN 0.823 nan 8.280 nan 0.000 0.523 43 G N 1.836 110.588 108.800 -0.080 0.000 2.586 43 G HA2 -0.272 5.655 3.960 3.277 0.000 0.218 43 G HA3 -0.272 5.655 3.960 3.277 0.000 0.218 43 G C -0.586 174.289 174.900 -0.042 0.000 1.216 43 G CA 1.087 46.145 45.100 -0.070 0.000 0.786 43 G HN 0.256 nan 8.290 nan 0.000 0.583 44 P HA -0.035 nan 4.420 nan 0.000 0.216 44 P C 2.098 179.420 177.300 0.036 0.000 1.153 44 P CA 0.683 63.802 63.100 0.032 0.000 0.848 44 P CB -0.131 31.599 31.700 0.050 0.000 0.787 45 V N -0.730 119.182 119.914 -0.004 0.000 2.626 45 V HA -0.172 5.915 4.120 3.277 0.000 0.252 45 V C 1.997 178.085 176.094 -0.009 0.000 1.067 45 V CA 1.515 63.814 62.300 -0.001 0.000 1.081 45 V CB -0.955 30.858 31.823 -0.016 0.000 0.686 45 V HN 0.028 nan 8.190 nan 0.000 0.468 46 L N -1.280 119.919 121.223 -0.040 0.000 2.131 46 L HA -0.054 6.252 4.340 3.277 0.000 0.206 46 L C 2.439 179.346 176.870 0.062 0.000 1.087 46 L CA 0.905 55.718 54.840 -0.045 0.000 0.767 46 L CB -0.444 41.527 42.059 -0.147 0.000 0.917 46 L HN 0.203 nan 8.230 nan 0.000 0.441 47 V N 0.032 120.001 119.914 0.091 0.000 2.295 47 V HA -0.303 5.783 4.120 3.277 0.000 0.246 47 V C 2.624 178.891 176.094 0.288 0.000 1.049 47 V CA 1.853 64.271 62.300 0.197 0.000 1.024 47 V CB -0.635 31.253 31.823 0.108 0.000 0.648 47 V HN 0.439 nan 8.190 nan 0.000 0.447 48 R N -0.600 120.022 120.500 0.202 0.000 2.115 48 R HA -0.129 6.178 4.340 3.277 0.000 0.230 48 R C 2.210 178.556 176.300 0.077 0.000 1.111 48 R CA 1.254 57.484 56.100 0.218 0.000 0.976 48 R CB -0.224 30.130 30.300 0.091 0.000 0.870 48 R HN 0.437 nan 8.270 nan 0.000 0.445 49 L N 0.507 121.737 121.223 0.011 0.000 2.027 49 L HA -0.013 6.293 4.340 3.277 0.000 0.206 49 L C 2.204 179.062 176.870 -0.021 0.000 1.074 49 L CA 2.104 56.870 54.840 -0.124 0.000 0.745 49 L CB -0.805 41.132 42.059 -0.204 0.000 0.898 49 L HN 0.167 nan 8.230 nan 0.000 0.433 50 A N -0.174 122.728 122.820 0.137 0.000 1.908 50 A HA -0.293 5.993 4.320 3.277 0.000 0.218 50 A C 2.294 180.063 177.584 0.309 0.000 1.181 50 A CA 2.004 54.177 52.037 0.226 0.000 0.627 50 A CB -1.516 17.663 19.000 0.299 0.000 0.818 50 A HN 0.827 nan 8.150 nan 0.000 0.445 51 W N -0.094 121.370 121.300 0.273 0.000 2.381 51 W HA -0.179 6.417 4.660 3.227 0.000 0.301 51 W C 1.766 178.503 176.519 0.363 0.000 1.205 51 W CA 1.659 59.206 57.345 0.337 0.000 1.285 51 W CB -0.669 29.046 29.460 0.424 0.000 1.133 51 W HN 0.586 nan 8.180 nan 0.000 0.521 52 H N 0.379 119.285 119.070 -0.274 0.000 2.462 52 H HA -0.113 6.424 4.556 3.301 0.000 0.292 52 H C 2.434 177.646 175.328 -0.193 0.000 1.049 52 H CA 1.829 57.593 56.048 -0.474 0.000 1.334 52 H CB 0.113 29.672 29.762 -0.338 0.000 1.404 52 H HN 0.171 nan 8.280 nan 0.000 0.544 53 T N -2.269 112.303 114.554 0.030 0.000 3.055 53 T HA -0.006 6.311 4.350 3.277 0.000 0.265 53 T C 2.033 176.815 174.700 0.138 0.000 1.111 53 T CA 0.860 63.010 62.100 0.083 0.000 1.118 53 T CB 0.050 68.957 68.868 0.064 0.000 0.909 53 T HN 0.050 nan 8.240 nan 0.000 0.501 54 S N 0.947 116.726 115.700 0.131 0.000 2.456 54 S HA 0.268 6.704 4.470 3.277 0.000 0.224 54 S C 2.205 176.918 174.600 0.189 0.000 1.035 54 S CA 0.359 58.653 58.200 0.158 0.000 0.940 54 S CB -0.320 62.978 63.200 0.162 0.000 0.799 54 S HN 0.690 nan 8.310 nan 0.000 0.508 55 G N 1.834 110.688 108.800 0.091 0.000 2.848 55 G HA2 -0.064 5.862 3.960 3.277 0.000 0.208 55 G HA3 -0.064 5.862 3.960 3.277 0.000 0.208 55 G C 1.347 176.270 174.900 0.038 0.000 1.152 55 G CA 1.126 46.255 45.100 0.050 0.000 0.789 55 G HN 0.592 nan 8.290 nan 0.000 0.531 56 T N -3.304 111.281 114.554 0.051 0.000 3.072 56 T HA -0.083 6.233 4.350 3.277 0.000 0.266 56 T C 1.019 175.814 174.700 0.159 0.000 1.127 56 T CA -0.439 61.710 62.100 0.082 0.000 1.107 56 T CB -0.196 68.728 68.868 0.094 0.000 0.910 56 T HN 0.215 nan 8.240 nan 0.000 0.513 57 W N 3.217 124.534 121.300 0.029 0.000 2.314 57 W HA 0.294 6.919 4.660 3.275 0.000 0.339 57 W C -0.419 176.094 176.519 -0.009 0.000 1.293 57 W CA -0.322 57.042 57.345 0.031 0.000 1.288 57 W CB 0.149 29.638 29.460 0.049 0.000 1.186 57 W HN 0.041 nan 8.180 nan 0.000 0.566 58 D N 5.404 125.423 120.400 -0.636 0.000 2.425 58 D HA 0.070 6.677 4.640 3.277 0.000 0.240 58 D C 1.059 176.557 176.300 -1.336 0.000 1.080 58 D CA -0.390 53.158 54.000 -0.754 0.000 0.836 58 D CB 1.363 41.974 40.800 -0.315 0.000 1.125 58 D HN 0.600 nan 8.370 nan 0.000 0.525 59 K N 3.587 123.047 120.400 -1.568 0.000 2.209 59 K HA -0.152 6.134 4.320 3.277 0.000 0.204 59 K C 1.015 177.195 176.600 -0.700 0.000 1.048 59 K CA 1.036 56.472 56.287 -1.418 0.000 0.940 59 K CB -0.087 31.831 32.500 -0.970 0.000 0.729 59 K HN 0.451 nan 8.250 nan 0.000 0.451 60 H N 1.777 120.604 119.070 -0.406 0.000 2.357 60 H HA -0.076 6.437 4.556 3.261 0.000 0.301 60 H C 0.728 175.947 175.328 -0.182 0.000 1.082 60 H CA 1.838 57.748 56.048 -0.231 0.000 1.342 60 H CB 0.063 29.712 29.762 -0.188 0.000 1.389 60 H HN 0.664 nan 8.280 nan 0.000 0.511 61 D N -1.851 118.488 120.400 -0.101 0.000 2.527 61 D HA -0.003 6.604 4.640 3.277 0.000 0.224 61 D C 0.362 176.618 176.300 -0.073 0.000 1.217 61 D CA -0.261 53.697 54.000 -0.071 0.000 0.819 61 D CB -0.397 40.374 40.800 -0.047 0.000 1.061 61 D HN -0.001 nan 8.370 nan 0.000 0.515 62 N N 0.519 119.150 118.700 -0.115 0.000 2.708 62 N HA -0.195 6.511 4.740 3.277 0.000 0.251 62 N C -0.589 174.998 175.510 0.128 0.000 1.123 62 N CA 1.322 54.411 53.050 0.066 0.000 0.739 62 N CB -1.703 36.848 38.487 0.107 0.000 1.113 62 N HN 0.600 nan 8.380 nan 0.000 0.561 63 T N -3.241 111.328 114.554 0.026 0.000 2.828 63 T HA 0.598 6.914 4.350 3.277 0.000 0.290 63 T C 1.378 176.183 174.700 0.174 0.000 1.019 63 T CA 0.241 62.403 62.100 0.103 0.000 1.031 63 T CB 1.387 70.275 68.868 0.035 0.000 1.001 63 T HN 1.060 nan 8.240 nan 0.000 0.531 64 G N 0.436 109.360 108.800 0.207 0.000 2.575 64 G HA2 0.310 6.236 3.960 3.277 0.000 0.267 64 G HA3 0.310 6.236 3.960 3.277 0.000 0.267 64 G C 0.451 175.552 174.900 0.336 0.000 1.264 64 G CA 0.148 45.389 45.100 0.235 0.000 0.935 64 G HN 2.789 nan 8.290 nan 0.000 0.568 65 G N -2.872 106.122 108.800 0.323 0.000 2.756 65 G HA2 0.285 6.211 3.960 3.277 0.000 0.678 65 G HA3 0.285 6.211 3.960 3.277 0.000 0.678 65 G C 1.226 176.245 174.900 0.198 0.000 1.349 65 G CA 1.230 46.498 45.100 0.280 0.000 0.847 65 G HN 2.488 nan 8.290 nan 0.000 0.548 66 S N -1.080 114.703 115.700 0.138 0.000 2.447 66 S HA -0.133 6.303 4.470 3.277 0.000 0.233 66 S C 1.922 176.606 174.600 0.139 0.000 1.006 66 S CA 1.960 60.251 58.200 0.152 0.000 0.957 66 S CB -0.319 62.946 63.200 0.108 0.000 0.773 66 S HN 1.379 nan 8.310 nan 0.000 0.507 67 Y N 2.608 122.884 120.300 -0.039 0.000 2.165 67 Y HA 0.014 6.529 4.550 3.275 0.000 0.286 67 Y C 2.382 178.222 175.900 -0.100 0.000 1.155 67 Y CA 1.551 59.571 58.100 -0.132 0.000 1.164 67 Y CB -0.837 37.442 38.460 -0.302 0.000 0.978 67 Y HN 0.363 nan 8.280 nan 0.000 0.513 68 G N -1.430 107.420 108.800 0.084 0.000 2.623 68 G HA2 0.148 6.075 3.960 3.277 0.000 0.214 68 G HA3 0.148 6.075 3.960 3.277 0.000 0.214 68 G C 1.216 176.199 174.900 0.137 0.000 1.138 68 G CA 0.292 45.450 45.100 0.097 0.000 0.794 68 G HN 0.852 nan 8.290 nan 0.000 0.535 69 G N 0.462 109.373 108.800 0.184 0.000 2.273 69 G HA2 -0.287 5.639 3.960 3.277 0.000 0.280 69 G HA3 -0.287 5.639 3.960 3.277 0.000 0.280 69 G C 1.071 176.230 174.900 0.430 0.000 1.047 69 G CA 1.332 46.607 45.100 0.292 0.000 0.869 69 G HN 1.068 nan 8.290 nan 0.000 0.502 70 T N -3.356 111.446 114.554 0.414 0.000 3.118 70 T HA -0.019 6.297 4.350 3.277 0.000 0.260 70 T C 1.762 176.678 174.700 0.359 0.000 1.139 70 T CA 1.280 63.642 62.100 0.436 0.000 1.085 70 T CB -0.089 69.019 68.868 0.399 0.000 0.934 70 T HN 0.689 nan 8.240 nan 0.000 0.518 71 Y N 3.353 123.816 120.300 0.271 0.000 2.403 71 Y HA -0.121 6.392 4.550 3.272 0.000 0.291 71 Y C 2.447 178.443 175.900 0.159 0.000 1.143 71 Y CA 1.120 59.304 58.100 0.140 0.000 1.257 71 Y CB -0.251 38.155 38.460 -0.089 0.000 0.984 71 Y HN 0.256 nan 8.280 nan 0.000 0.550 72 R N -0.668 119.941 120.500 0.181 0.000 2.280 72 R HA -0.044 6.262 4.340 3.277 0.000 0.207 72 R C -0.378 175.783 176.300 -0.232 0.000 1.043 72 R CA 0.350 56.454 56.100 0.005 0.000 1.006 72 R CB -0.871 29.459 30.300 0.050 0.000 0.885 72 R HN 0.259 nan 8.270 nan 0.000 0.467 73 F N 2.558 122.515 119.950 0.011 0.000 2.385 73 F HA 0.217 6.708 4.527 3.274 0.000 0.336 73 F C 1.624 177.001 175.800 -0.704 0.000 1.100 73 F CA -1.148 56.735 58.000 -0.195 0.000 1.116 73 F CB 1.572 40.509 39.000 -0.105 0.000 1.166 73 F HN -0.126 nan 8.300 nan 0.000 0.511 74 K N 1.479 121.443 120.400 -0.727 0.000 2.152 74 K HA -0.226 6.060 4.320 3.277 0.000 0.206 74 K C 1.640 177.721 176.600 -0.865 0.000 1.048 74 K CA 1.761 57.186 56.287 -1.437 0.000 0.933 74 K CB -0.169 31.914 32.500 -0.695 0.000 0.721 74 K HN 0.633 nan 8.250 nan 0.000 0.447 75 K N 1.271 121.419 120.400 -0.419 0.000 2.057 75 K HA -0.176 6.110 4.320 3.277 0.000 0.206 75 K C 2.139 178.617 176.600 -0.202 0.000 1.050 75 K CA 1.610 57.753 56.287 -0.239 0.000 0.935 75 K CB 0.056 32.479 32.500 -0.129 0.000 0.715 75 K HN 0.350 nan 8.250 nan 0.000 0.439 76 E N -0.156 119.927 120.200 -0.196 0.000 2.112 76 E HA -0.131 6.185 4.350 3.277 0.000 0.190 76 E C 1.817 178.321 176.600 -0.160 0.000 0.979 76 E CA 0.930 57.275 56.400 -0.093 0.000 0.814 76 E CB -0.146 29.576 29.700 0.037 0.000 0.762 76 E HN 0.489 nan 8.360 nan 0.000 0.460 77 F N -0.236 119.459 119.950 -0.424 0.000 2.407 77 F HA 0.085 6.578 4.527 3.276 0.000 0.299 77 F C 1.434 177.095 175.800 -0.232 0.000 1.097 77 F CA 0.204 57.817 58.000 -0.644 0.000 1.422 77 F CB -0.047 38.286 39.000 -1.112 0.000 1.067 77 F HN -0.115 nan 8.300 nan 0.000 0.539 78 N N 0.558 119.226 118.700 -0.052 0.000 2.336 78 N HA -0.068 6.638 4.740 3.277 0.000 0.189 78 N C -0.259 175.269 175.510 0.030 0.000 1.113 78 N CA 0.310 53.381 53.050 0.035 0.000 0.858 78 N CB -0.535 37.925 38.487 -0.044 0.000 0.970 78 N HN 0.302 nan 8.380 nan 0.000 0.471 79 D N 2.157 122.573 120.400 0.027 0.000 2.570 79 D HA -0.045 6.561 4.640 3.277 0.000 0.243 79 D C -1.374 174.977 176.300 0.085 0.000 1.171 79 D CA -1.223 52.807 54.000 0.051 0.000 0.879 79 D CB 1.202 42.042 40.800 0.067 0.000 1.143 79 D HN 0.049 nan 8.370 nan 0.000 0.511 80 P HA -0.149 nan 4.420 nan 0.000 0.217 80 P C 1.186 178.554 177.300 0.114 0.000 1.148 80 P CA 1.113 64.262 63.100 0.082 0.000 0.834 80 P CB 0.220 31.958 31.700 0.065 0.000 0.783 81 S N -1.068 114.700 115.700 0.113 0.000 2.423 81 S HA -0.069 6.367 4.470 3.277 0.000 0.231 81 S C 1.371 176.123 174.600 0.254 0.000 1.014 81 S CA 0.941 59.232 58.200 0.152 0.000 0.965 81 S CB -0.757 62.474 63.200 0.051 0.000 0.785 81 S HN 0.247 nan 8.310 nan 0.000 0.495 82 N N 1.750 120.590 118.700 0.234 0.000 2.383 82 N HA 0.255 6.961 4.740 3.277 0.000 0.192 82 N C 0.185 175.821 175.510 0.210 0.000 1.141 82 N CA 0.041 53.266 53.050 0.291 0.000 0.851 82 N CB -0.227 38.482 38.487 0.370 0.000 0.976 82 N HN 0.333 nan 8.380 nan 0.000 0.465 83 A N 0.151 123.068 122.820 0.163 0.000 2.580 83 A HA 0.381 6.667 4.320 3.277 0.000 0.244 83 A C 1.523 179.160 177.584 0.088 0.000 1.045 83 A CA 0.981 53.089 52.037 0.117 0.000 0.761 83 A CB -0.473 18.588 19.000 0.101 0.000 0.962 83 A HN 0.484 nan 8.150 nan 0.000 0.512 84 G N 1.212 110.048 108.800 0.060 0.000 2.313 84 G HA2 -0.246 5.680 3.960 3.277 0.000 0.215 84 G HA3 -0.246 5.680 3.960 3.277 0.000 0.215 84 G C 0.856 175.777 174.900 0.035 0.000 1.023 84 G CA 0.270 45.373 45.100 0.006 0.000 0.626 84 G HN 0.804 nan 8.290 nan 0.000 0.503 85 L N 1.030 122.303 121.223 0.083 0.000 2.465 85 L HA 0.018 6.324 4.340 3.277 0.000 0.224 85 L C 2.819 179.786 176.870 0.162 0.000 1.145 85 L CA 1.461 56.345 54.840 0.073 0.000 0.834 85 L CB -0.291 41.779 42.059 0.019 0.000 0.944 85 L HN 0.327 nan 8.230 nan 0.000 0.451 86 Q N -0.134 119.776 119.800 0.182 0.000 2.234 86 Q HA -0.179 6.127 4.340 3.277 0.000 0.206 86 Q C 1.882 177.994 176.000 0.186 0.000 0.980 86 Q CA 1.240 57.135 55.803 0.154 0.000 0.869 86 Q CB -0.262 28.480 28.738 0.007 0.000 0.912 86 Q HN 0.464 nan 8.270 nan 0.000 0.436 87 N N -0.162 118.636 118.700 0.163 0.000 2.188 87 N HA -0.089 6.618 4.740 3.277 0.000 0.184 87 N C 1.799 177.489 175.510 0.301 0.000 1.018 87 N CA 1.410 54.605 53.050 0.242 0.000 0.858 87 N CB -0.525 38.089 38.487 0.212 0.000 0.989 87 N HN 0.409 nan 8.380 nan 0.000 0.426 88 G N 0.462 109.385 108.800 0.204 0.000 2.421 88 G HA2 -0.244 5.682 3.960 3.277 0.000 0.216 88 G HA3 -0.244 5.682 3.960 3.277 0.000 0.216 88 G C 1.431 176.424 174.900 0.155 0.000 1.171 88 G CA 0.233 45.409 45.100 0.126 0.000 0.775 88 G HN 0.259 nan 8.290 nan 0.000 0.543 89 F N 1.795 121.776 119.950 0.051 0.000 2.095 89 F HA -0.115 6.378 4.527 3.276 0.000 0.298 89 F C 3.005 178.868 175.800 0.105 0.000 1.104 89 F CA 2.186 60.251 58.000 0.109 0.000 1.232 89 F CB -0.069 39.034 39.000 0.172 0.000 0.987 89 F HN 0.054 nan 8.300 nan 0.000 0.475 90 K N -0.179 120.376 120.400 0.259 0.000 2.057 90 K HA -0.198 6.088 4.320 3.277 0.000 0.207 90 K C 1.846 178.434 176.600 -0.020 0.000 1.049 90 K CA 1.410 57.774 56.287 0.127 0.000 0.931 90 K CB -1.405 31.175 32.500 0.134 0.000 0.714 90 K HN 0.517 nan 8.250 nan 0.000 0.440 91 F N 1.196 121.026 119.950 -0.200 0.000 2.126 91 F HA -0.097 6.397 4.527 3.278 0.000 0.299 91 F C 1.761 177.402 175.800 -0.266 0.000 1.096 91 F CA 1.586 59.368 58.000 -0.362 0.000 1.255 91 F CB -0.146 38.519 39.000 -0.557 0.000 0.997 91 F HN -0.019 nan 8.300 nan 0.000 0.479 92 L N -0.261 120.964 121.223 0.003 0.000 2.418 92 L HA -0.065 6.241 4.340 3.277 0.000 0.218 92 L C 2.202 178.938 176.870 -0.222 0.000 1.125 92 L CA 0.457 55.240 54.840 -0.094 0.000 0.835 92 L CB -0.663 41.374 42.059 -0.037 0.000 0.953 92 L HN 0.170 nan 8.230 nan 0.000 0.454 93 E N 0.993 121.028 120.200 -0.274 0.000 2.048 93 E HA -0.238 6.078 4.350 3.277 0.000 0.202 93 E C -0.560 175.946 176.600 -0.157 0.000 1.021 93 E CA 1.784 58.053 56.400 -0.220 0.000 0.825 93 E CB -1.076 28.532 29.700 -0.154 0.000 0.756 93 E HN 0.461 nan 8.360 nan 0.000 0.454 94 P HA -0.112 nan 4.420 nan 0.000 0.219 94 P C 1.541 178.745 177.300 -0.160 0.000 1.150 94 P CA 1.014 64.004 63.100 -0.183 0.000 0.814 94 P CB -0.111 31.452 31.700 -0.230 0.000 0.787 95 I N 0.012 120.481 120.570 -0.168 0.000 2.179 95 I HA -0.238 5.899 4.170 3.277 0.000 0.242 95 I C 2.614 178.736 176.117 0.009 0.000 1.088 95 I CA 1.703 62.965 61.300 -0.064 0.000 1.357 95 I CB -2.075 35.858 38.000 -0.111 0.000 1.051 95 I HN 0.131 nan 8.210 nan 0.000 0.409 96 H N 1.105 120.075 119.070 -0.167 0.000 2.421 96 H HA -0.142 6.381 4.556 3.277 0.000 0.298 96 H C 2.259 177.483 175.328 -0.174 0.000 1.087 96 H CA 1.663 57.598 56.048 -0.187 0.000 1.330 96 H CB 0.390 30.022 29.762 -0.216 0.000 1.388 96 H HN 0.360 nan 8.280 nan 0.000 0.526 97 K N 1.105 121.466 120.400 -0.065 0.000 2.217 97 K HA -0.106 6.180 4.320 3.277 0.000 0.202 97 K C 1.763 178.257 176.600 -0.177 0.000 1.051 97 K CA 1.404 57.614 56.287 -0.129 0.000 0.952 97 K CB -0.290 32.137 32.500 -0.122 0.000 0.736 97 K HN 0.570 nan 8.250 nan 0.000 0.453 98 E N -1.597 118.465 120.200 -0.229 0.000 2.158 98 E HA 0.034 6.350 4.350 3.277 0.000 0.191 98 E C -0.578 175.595 176.600 -0.712 0.000 0.982 98 E CA 0.439 56.549 56.400 -0.482 0.000 0.823 98 E CB 0.115 29.465 29.700 -0.583 0.000 0.766 98 E HN 0.592 nan 8.360 nan 0.000 0.468 99 F N -0.016 119.802 119.950 -0.220 0.000 2.622 99 F HA 0.316 6.810 4.527 3.277 0.000 0.338 99 F C -2.122 173.344 175.800 -0.556 0.000 1.334 99 F CA -1.931 55.782 58.000 -0.478 0.000 1.179 99 F CB 1.730 40.318 39.000 -0.686 0.000 1.471 99 F HN -0.019 nan 8.300 nan 0.000 0.576 100 P HA -0.095 nan 4.420 nan 0.000 0.236 100 P C 1.604 178.886 177.300 -0.029 0.000 1.177 100 P CA 0.732 63.768 63.100 -0.106 0.000 0.773 100 P CB -0.094 31.555 31.700 -0.085 0.000 0.878 101 W N -0.534 120.825 121.300 0.098 0.000 2.465 101 W HA 0.085 6.712 4.660 3.278 0.000 0.268 101 W C 0.529 177.117 176.519 0.115 0.000 1.242 101 W CA -0.328 57.065 57.345 0.080 0.000 1.248 101 W CB -1.343 28.143 29.460 0.044 0.000 1.118 101 W HN -0.081 nan 8.180 nan 0.000 0.587 102 I N 3.944 124.327 120.570 -0.312 0.000 2.529 102 I HA 0.008 6.144 4.170 3.277 0.000 0.284 102 I C 1.179 177.317 176.117 0.035 0.000 1.082 102 I CA -0.047 61.143 61.300 -0.183 0.000 1.406 102 I CB 0.998 38.612 38.000 -0.643 0.000 1.405 102 I HN -0.103 nan 8.210 nan 0.000 0.548 103 S N 4.356 120.103 115.700 0.079 0.000 2.589 103 S HA 0.103 6.539 4.470 3.277 0.000 0.265 103 S C 1.031 175.523 174.600 -0.178 0.000 1.342 103 S CA -0.381 57.823 58.200 0.007 0.000 1.005 103 S CB 1.533 64.720 63.200 -0.021 0.000 0.909 103 S HN 0.733 nan 8.310 nan 0.000 0.555 104 S N 1.694 117.263 115.700 -0.219 0.000 2.368 104 S HA 0.010 6.446 4.470 3.277 0.000 0.225 104 S C 2.104 176.160 174.600 -0.908 0.000 1.030 104 S CA 1.238 59.066 58.200 -0.620 0.000 0.999 104 S CB -1.121 61.821 63.200 -0.430 0.000 0.844 104 S HN 0.942 nan 8.310 nan 0.000 0.459 105 G N 1.334 109.903 108.800 -0.385 0.000 2.402 105 G HA2 -0.200 5.726 3.960 3.277 0.000 0.216 105 G HA3 -0.200 5.726 3.960 3.277 0.000 0.216 105 G C 1.051 175.933 174.900 -0.030 0.000 1.162 105 G CA 0.937 45.952 45.100 -0.141 0.000 0.777 105 G HN 0.373 nan 8.290 nan 0.000 0.539 106 D N -0.048 120.352 120.400 -0.001 0.000 2.097 106 D HA -0.083 6.523 4.640 3.277 0.000 0.195 106 D C 2.368 178.745 176.300 0.129 0.000 0.989 106 D CA 0.434 54.607 54.000 0.288 0.000 0.827 106 D CB -0.309 40.718 40.800 0.378 0.000 0.966 106 D HN 0.200 nan 8.370 nan 0.000 0.456 107 L N -0.145 120.950 121.223 -0.214 0.000 2.017 107 L HA -0.100 6.206 4.340 3.277 0.000 0.208 107 L C 2.106 178.904 176.870 -0.119 0.000 1.073 107 L CA 1.583 56.217 54.840 -0.343 0.000 0.745 107 L CB -0.773 40.870 42.059 -0.694 0.000 0.894 107 L HN 0.062 nan 8.230 nan 0.000 0.432 108 F N -0.821 119.094 119.950 -0.058 0.000 2.186 108 F HA -0.213 6.281 4.527 3.279 0.000 0.299 108 F C 2.683 178.493 175.800 0.016 0.000 1.090 108 F CA 0.776 58.761 58.000 -0.025 0.000 1.307 108 F CB -0.578 38.432 39.000 0.018 0.000 1.019 108 F HN 0.324 nan 8.300 nan 0.000 0.489 109 S N 0.437 116.300 115.700 0.273 0.000 2.395 109 S HA -0.139 6.297 4.470 3.277 0.000 0.225 109 S C 1.834 176.526 174.600 0.154 0.000 1.027 109 S CA 0.536 58.890 58.200 0.257 0.000 0.965 109 S CB -0.799 62.606 63.200 0.341 0.000 0.812 109 S HN 0.273 nan 8.310 nan 0.000 0.482 110 L N 2.898 124.096 121.223 -0.041 0.000 2.131 110 L HA 0.174 6.480 4.340 3.277 0.000 0.210 110 L C 2.394 179.101 176.870 -0.272 0.000 1.092 110 L CA 1.837 56.381 54.840 -0.493 0.000 0.759 110 L CB -1.416 40.172 42.059 -0.785 0.000 0.903 110 L HN 0.421 nan 8.230 nan 0.000 0.435 111 G N -1.182 107.540 108.800 -0.130 0.000 2.442 111 G HA2 -0.217 5.709 3.960 3.277 0.000 0.219 111 G HA3 -0.217 5.709 3.960 3.277 0.000 0.219 111 G C 1.483 176.363 174.900 -0.035 0.000 1.141 111 G CA 0.626 45.672 45.100 -0.090 0.000 0.763 111 G HN 0.586 nan 8.290 nan 0.000 0.554 112 G N 0.321 109.175 108.800 0.090 0.000 2.394 112 G HA2 -0.082 5.844 3.960 3.277 0.000 0.214 112 G HA3 -0.082 5.844 3.960 3.277 0.000 0.214 112 G C 1.778 176.851 174.900 0.289 0.000 1.176 112 G CA 1.071 46.331 45.100 0.267 0.000 0.786 112 G HN 0.286 nan 8.290 nan 0.000 0.533 113 V N 1.333 121.403 119.914 0.259 0.000 2.252 113 V HA -0.230 5.856 4.120 3.277 0.000 0.249 113 V C 3.204 179.328 176.094 0.049 0.000 1.056 113 V CA 2.516 64.950 62.300 0.223 0.000 1.022 113 V CB -1.074 30.877 31.823 0.214 0.000 0.641 113 V HN 0.412 nan 8.190 nan 0.000 0.445 114 T N 0.390 114.841 114.554 -0.172 0.000 2.684 114 T HA -0.196 6.121 4.350 3.277 0.000 0.267 114 T C 2.073 176.603 174.700 -0.284 0.000 1.036 114 T CA 1.674 63.472 62.100 -0.504 0.000 1.148 114 T CB -0.558 67.825 68.868 -0.809 0.000 0.863 114 T HN 0.585 nan 8.240 nan 0.000 0.436 115 A N 1.056 123.771 122.820 -0.175 0.000 1.892 115 A HA -0.099 6.187 4.320 3.277 0.000 0.218 115 A C 2.623 180.144 177.584 -0.104 0.000 1.188 115 A CA 1.716 53.681 52.037 -0.120 0.000 0.631 115 A CB -1.134 17.819 19.000 -0.079 0.000 0.822 115 A HN 0.364 nan 8.150 nan 0.000 0.447 116 V N -0.111 119.724 119.914 -0.130 0.000 2.307 116 V HA -0.292 5.794 4.120 3.277 0.000 0.245 116 V C 2.660 178.581 176.094 -0.289 0.000 1.045 116 V CA 2.180 64.298 62.300 -0.304 0.000 1.024 116 V CB -0.905 30.646 31.823 -0.453 0.000 0.651 116 V HN 0.629 nan 8.190 nan 0.000 0.449 117 Q N -0.660 119.058 119.800 -0.136 0.000 2.079 117 Q HA -0.187 6.119 4.340 3.277 0.000 0.200 117 Q C 2.288 178.294 176.000 0.011 0.000 0.974 117 Q CA 1.186 56.966 55.803 -0.037 0.000 0.840 117 Q CB -0.156 28.679 28.738 0.161 0.000 0.898 117 Q HN 0.559 nan 8.270 nan 0.000 0.430 118 E N 0.354 120.554 120.200 0.001 0.000 2.208 118 E HA -0.033 6.283 4.350 3.277 0.000 0.193 118 E C 1.363 177.975 176.600 0.019 0.000 0.988 118 E CA 0.717 57.128 56.400 0.018 0.000 0.828 118 E CB 0.062 29.738 29.700 -0.039 0.000 0.763 118 E HN 0.425 nan 8.360 nan 0.000 0.478 119 M N 0.372 119.972 119.600 0.001 0.000 2.654 119 M HA 0.034 6.480 4.480 3.277 0.000 0.217 119 M C -0.337 176.013 176.300 0.084 0.000 1.183 119 M CA 0.271 55.600 55.300 0.047 0.000 0.991 119 M CB -0.120 32.520 32.600 0.065 0.000 1.749 119 M HN -0.083 nan 8.290 nan 0.000 0.475 120 Q N -1.105 118.731 119.800 0.060 0.000 2.494 120 Q HA -0.145 6.161 4.340 3.277 0.000 0.266 120 Q C 0.544 176.610 176.000 0.110 0.000 1.053 120 Q CA 0.412 56.281 55.803 0.111 0.000 1.029 120 Q CB -2.334 26.504 28.738 0.166 0.000 1.423 120 Q HN 0.767 nan 8.270 nan 0.000 0.516 121 G N 1.154 109.824 108.800 -0.216 0.000 2.611 121 G HA2 0.447 6.374 3.960 3.277 0.000 0.273 121 G HA3 0.447 6.374 3.960 3.277 0.000 0.273 121 G C -2.074 172.314 174.900 -0.854 0.000 1.305 121 G CA -0.741 43.809 45.100 -0.918 0.000 1.010 121 G HN 0.088 nan 8.290 nan 0.000 0.509 122 P HA 0.165 nan 4.420 nan 0.000 0.272 122 P C -0.574 176.567 177.300 -0.265 0.000 1.230 122 P CA -0.514 62.254 63.100 -0.552 0.000 0.788 122 P CB 0.726 32.115 31.700 -0.519 0.000 0.949 123 K N 1.959 122.312 120.400 -0.077 0.000 2.511 123 K HA 0.108 6.394 4.320 3.277 0.000 0.280 123 K C 0.220 176.825 176.600 0.008 0.000 1.008 123 K CA 0.414 56.700 56.287 -0.002 0.000 1.050 123 K CB -0.273 32.242 32.500 0.026 0.000 0.889 123 K HN 0.398 nan 8.250 nan 0.000 0.484 124 I N 5.953 126.571 120.570 0.079 0.000 2.437 124 I HA 0.212 6.348 4.170 3.277 0.000 0.279 124 I C -2.246 173.964 176.117 0.155 0.000 1.028 124 I CA -3.017 58.361 61.300 0.129 0.000 1.142 124 I CB 0.949 39.106 38.000 0.262 0.000 1.266 124 I HN 0.155 nan 8.210 nan 0.000 0.461 125 P HA -0.011 nan 4.420 nan 0.000 0.265 125 P C -0.953 176.418 177.300 0.118 0.000 1.187 125 P CA 0.289 63.413 63.100 0.040 0.000 0.766 125 P CB 0.533 32.195 31.700 -0.062 0.000 0.820 126 W N 3.990 125.239 121.300 -0.085 0.000 3.022 126 W HA 0.466 7.090 4.660 3.274 0.000 0.335 126 W C -1.130 175.307 176.519 -0.136 0.000 1.133 126 W CA -0.641 56.688 57.345 -0.027 0.000 1.219 126 W CB 1.738 31.323 29.460 0.209 0.000 1.409 126 W HN 0.211 nan 8.180 nan 0.000 0.507 127 R N 4.556 124.399 120.500 -1.096 0.000 2.599 127 R HA 0.565 6.871 4.340 3.277 0.000 0.295 127 R C -0.112 175.236 176.300 -1.586 0.000 0.963 127 R CA -0.786 54.628 56.100 -1.144 0.000 0.883 127 R CB 1.211 30.960 30.300 -0.918 0.000 1.171 127 R HN 0.662 nan 8.270 nan 0.000 0.450 128 C N -0.280 118.310 119.300 -1.185 0.000 2.480 128 C HA 0.858 7.284 4.460 3.277 0.000 0.358 128 C C 1.392 176.250 174.990 -0.220 0.000 1.309 128 C CA 0.685 59.250 59.018 -0.754 0.000 2.465 128 C CB 0.379 27.789 27.740 -0.549 0.000 2.379 128 C HN 1.073 nan 8.230 nan 0.000 0.642 129 G N 0.828 109.599 108.800 -0.049 0.000 2.227 129 G HA2 -0.103 5.823 3.960 3.277 0.000 0.168 129 G HA3 -0.103 5.823 3.960 3.277 0.000 0.168 129 G C 0.045 174.879 174.900 -0.110 0.000 1.006 129 G CA -0.317 44.784 45.100 0.002 0.000 0.684 129 G HN 0.951 nan 8.290 nan 0.000 0.489 130 R N -0.035 120.345 120.500 -0.200 0.000 2.679 130 R HA 0.469 6.775 4.340 3.277 0.000 0.268 130 R C -0.227 175.753 176.300 -0.534 0.000 1.044 130 R CA 0.309 56.096 56.100 -0.521 0.000 1.105 130 R CB 1.113 31.228 30.300 -0.308 0.000 0.989 130 R HN 0.099 nan 8.270 nan 0.000 0.447 131 V N 2.800 122.128 119.914 -0.976 0.000 2.577 131 V HA 0.089 6.175 4.120 3.277 0.000 0.303 131 V C -0.698 175.202 176.094 -0.322 0.000 1.042 131 V CA -1.062 60.963 62.300 -0.458 0.000 0.872 131 V CB 1.906 33.600 31.823 -0.215 0.000 0.998 131 V HN 0.695 nan 8.190 nan 0.000 0.423 132 D N 3.294 123.628 120.400 -0.110 0.000 2.525 132 D HA 0.300 6.906 4.640 3.277 0.000 0.235 132 D C 0.570 176.926 176.300 0.094 0.000 1.137 132 D CA 0.764 54.771 54.000 0.013 0.000 0.868 132 D CB 0.791 41.625 40.800 0.057 0.000 1.180 132 D HN 0.814 nan 8.370 nan 0.000 0.465 133 T N -0.584 114.074 114.554 0.174 0.000 2.924 133 T HA 0.694 7.010 4.350 3.277 0.000 0.291 133 T C -2.661 172.188 174.700 0.250 0.000 1.045 133 T CA -2.131 60.090 62.100 0.201 0.000 1.015 133 T CB 1.891 70.879 68.868 0.201 0.000 1.103 133 T HN -0.062 nan 8.240 nan 0.000 0.496 134 P HA 0.226 nan 4.420 nan 0.000 0.272 134 P C 0.846 177.976 177.300 -0.284 0.000 1.254 134 P CA -0.437 62.667 63.100 0.008 0.000 0.795 134 P CB 0.478 32.165 31.700 -0.020 0.000 1.022 135 E N 0.603 120.339 120.200 -0.774 0.000 2.153 135 E HA -0.244 6.072 4.350 3.277 0.000 0.194 135 E C 1.211 177.518 176.600 -0.488 0.000 0.988 135 E CA 1.325 56.985 56.400 -1.234 0.000 0.811 135 E CB -0.225 28.830 29.700 -1.076 0.000 0.746 135 E HN 0.486 nan 8.360 nan 0.000 0.466 136 D N -0.316 119.923 120.400 -0.268 0.000 2.350 136 D HA -0.141 6.465 4.640 3.277 0.000 0.216 136 D C 1.736 177.994 176.300 -0.069 0.000 0.968 136 D CA 1.504 55.421 54.000 -0.138 0.000 0.894 136 D CB -0.349 40.399 40.800 -0.087 0.000 0.909 136 D HN 0.253 nan 8.370 nan 0.000 0.520 137 T N -2.724 111.804 114.554 -0.045 0.000 3.081 137 T HA 0.007 6.323 4.350 3.277 0.000 0.255 137 T C 0.846 175.592 174.700 0.077 0.000 1.113 137 T CA -0.121 62.008 62.100 0.047 0.000 1.082 137 T CB -0.817 68.119 68.868 0.113 0.000 0.939 137 T HN -0.071 nan 8.240 nan 0.000 0.506 138 T N 5.742 120.323 114.554 0.046 0.000 2.822 138 T HA 0.203 6.519 4.350 3.277 0.000 0.288 138 T C -2.315 172.421 174.700 0.059 0.000 0.991 138 T CA -0.674 61.481 62.100 0.092 0.000 1.176 138 T CB 0.527 69.433 68.868 0.062 0.000 0.951 138 T HN 0.381 nan 8.240 nan 0.000 0.526 139 P HA 0.263 nan 4.420 nan 0.000 0.278 139 P C -0.379 176.941 177.300 0.034 0.000 1.238 139 P CA -0.610 62.525 63.100 0.058 0.000 0.794 139 P CB 0.720 32.467 31.700 0.078 0.000 0.955 140 D N 1.470 121.881 120.400 0.017 0.000 2.378 140 D HA 0.060 6.667 4.640 3.277 0.000 0.238 140 D C 0.556 176.864 176.300 0.013 0.000 1.180 140 D CA 0.443 54.447 54.000 0.006 0.000 0.895 140 D CB 0.123 40.925 40.800 0.003 0.000 1.192 140 D HN 0.274 nan 8.370 nan 0.000 0.438 141 N N -0.083 118.622 118.700 0.008 0.000 2.381 141 N HA 0.321 7.027 4.740 3.277 0.000 0.241 141 N C 1.295 176.820 175.510 0.024 0.000 1.279 141 N CA 0.789 53.848 53.050 0.014 0.000 0.896 141 N CB 0.536 39.030 38.487 0.012 0.000 1.118 141 N HN 0.606 nan 8.380 nan 0.000 0.438 142 G N -0.164 108.654 108.800 0.031 0.000 2.163 142 G HA2 -0.269 5.657 3.960 3.277 0.000 0.213 142 G HA3 -0.269 5.657 3.960 3.277 0.000 0.213 142 G C 0.855 175.802 174.900 0.079 0.000 0.991 142 G CA -0.019 45.112 45.100 0.052 0.000 0.653 142 G HN 0.552 nan 8.290 nan 0.000 0.518 143 R N -0.617 119.920 120.500 0.062 0.000 2.280 143 R HA 0.393 6.699 4.340 3.277 0.000 0.195 143 R C 1.084 177.503 176.300 0.199 0.000 0.935 143 R CA 0.106 56.269 56.100 0.104 0.000 1.033 143 R CB 0.136 30.464 30.300 0.047 0.000 0.964 143 R HN 0.418 nan 8.270 nan 0.000 0.489 144 L N 1.796 123.046 121.223 0.045 0.000 2.416 144 L HA 0.361 6.667 4.340 3.277 0.000 0.262 144 L C -1.980 174.800 176.870 -0.152 0.000 1.093 144 L CA -2.306 52.475 54.840 -0.099 0.000 0.801 144 L CB 0.446 42.224 42.059 -0.468 0.000 1.191 144 L HN -0.121 nan 8.230 nan 0.000 0.459 145 P HA 0.148 nan 4.420 nan 0.000 0.276 145 P C -1.435 175.823 177.300 -0.070 0.000 1.244 145 P CA -0.557 62.213 63.100 -0.550 0.000 0.801 145 P CB 0.682 31.775 31.700 -1.012 0.000 1.006 146 D N 0.368 120.779 120.400 0.018 0.000 2.350 146 D HA 0.256 6.862 4.640 3.277 0.000 0.249 146 D C 1.131 177.407 176.300 -0.040 0.000 1.119 146 D CA -0.181 53.790 54.000 -0.048 0.000 0.886 146 D CB 1.024 41.681 40.800 -0.238 0.000 1.195 146 D HN 0.323 nan 8.370 nan 0.000 0.437 147 A N 2.305 125.141 122.820 0.026 0.000 2.072 147 A HA -0.087 6.199 4.320 3.277 0.000 0.216 147 A C 0.946 178.541 177.584 0.019 0.000 1.156 147 A CA 0.453 52.490 52.037 0.001 0.000 0.701 147 A CB -0.016 18.887 19.000 -0.162 0.000 0.816 147 A HN 0.535 nan 8.150 nan 0.000 0.458 148 D N -0.250 120.178 120.400 0.047 0.000 2.881 148 D HA 0.174 6.780 4.640 3.277 0.000 0.240 148 D C 0.072 176.371 176.300 -0.002 0.000 1.249 148 D CA 0.014 54.068 54.000 0.091 0.000 0.839 148 D CB 0.100 40.976 40.800 0.127 0.000 1.042 148 D HN 0.016 nan 8.370 nan 0.000 0.475 149 K N 0.411 120.789 120.400 -0.037 0.000 2.349 149 K HA 0.370 6.656 4.320 3.277 0.000 0.243 149 K C -0.147 176.526 176.600 0.122 0.000 1.058 149 K CA -0.591 55.653 56.287 -0.072 0.000 0.871 149 K CB 1.520 33.721 32.500 -0.500 0.000 1.337 149 K HN 0.193 nan 8.250 nan 0.000 0.469 150 D N -1.485 119.029 120.400 0.189 0.000 2.569 150 D HA 0.374 6.980 4.640 3.277 0.000 0.266 150 D C 0.778 177.260 176.300 0.303 0.000 1.164 150 D CA -0.554 53.586 54.000 0.233 0.000 1.071 150 D CB 0.369 41.285 40.800 0.193 0.000 1.183 150 D HN 0.336 nan 8.370 nan 0.000 0.613 151 A N -0.045 122.940 122.820 0.276 0.000 1.940 151 A HA -0.217 6.069 4.320 3.277 0.000 0.219 151 A C 1.576 179.342 177.584 0.304 0.000 1.176 151 A CA 1.919 54.163 52.037 0.346 0.000 0.631 151 A CB -0.805 18.361 19.000 0.277 0.000 0.814 151 A HN 0.595 nan 8.150 nan 0.000 0.446 152 D N -1.690 118.843 120.400 0.223 0.000 2.117 152 D HA -0.153 6.453 4.640 3.277 0.000 0.198 152 D C 1.693 178.130 176.300 0.228 0.000 0.982 152 D CA 1.595 55.702 54.000 0.177 0.000 0.828 152 D CB -0.559 40.325 40.800 0.141 0.000 0.967 152 D HN 0.625 nan 8.370 nan 0.000 0.464 153 Y N 2.155 122.560 120.300 0.175 0.000 2.081 153 Y HA -0.293 6.252 4.550 3.326 0.000 0.280 153 Y C 2.282 178.347 175.900 0.275 0.000 1.163 153 Y CA 1.462 59.679 58.100 0.195 0.000 1.135 153 Y CB -0.493 38.065 38.460 0.163 0.000 0.970 153 Y HN -0.211 nan 8.280 nan 0.000 0.498 154 V N 1.216 121.340 119.914 0.350 0.000 2.252 154 V HA -0.374 5.712 4.120 3.277 0.000 0.249 154 V C 2.554 178.913 176.094 0.442 0.000 1.056 154 V CA 2.476 65.015 62.300 0.399 0.000 1.022 154 V CB -0.910 31.188 31.823 0.458 0.000 0.641 154 V HN 0.429 nan 8.190 nan 0.000 0.445 155 R N -0.337 120.407 120.500 0.406 0.000 2.091 155 R HA -0.176 6.131 4.340 3.277 0.000 0.238 155 R C 2.317 178.749 176.300 0.221 0.000 1.136 155 R CA 2.187 58.493 56.100 0.344 0.000 0.959 155 R CB -0.449 29.962 30.300 0.185 0.000 0.856 155 R HN 0.569 nan 8.270 nan 0.000 0.437 156 T N 0.590 115.219 114.554 0.124 0.000 2.732 156 T HA -0.123 6.193 4.350 3.277 0.000 0.261 156 T C 1.312 175.996 174.700 -0.027 0.000 1.040 156 T CA 1.313 63.438 62.100 0.041 0.000 1.145 156 T CB -0.443 68.436 68.868 0.020 0.000 0.866 156 T HN 0.282 nan 8.240 nan 0.000 0.427 157 F N 1.242 121.038 119.950 -0.256 0.000 2.063 157 F HA -0.217 4.242 4.527 -0.112 0.000 0.298 157 F C 1.698 177.374 175.800 -0.207 0.000 1.105 157 F CA 1.553 59.341 58.000 -0.354 0.000 1.215 157 F CB -0.544 38.068 39.000 -0.647 0.000 0.972 157 F HN 0.147 nan 8.300 nan 0.000 0.483 158 F N 0.222 120.202 119.950 0.050 0.000 2.456 158 F HA -0.070 6.524 4.527 3.444 0.000 0.298 158 F C 2.357 178.151 175.800 -0.011 0.000 1.104 158 F CA 0.785 58.821 58.000 0.060 0.000 1.435 158 F CB -0.529 38.598 39.000 0.213 0.000 1.078 158 F HN 0.007 nan 8.300 nan 0.000 0.546 159 Q N -0.021 119.853 119.800 0.124 0.000 2.217 159 Q HA -0.272 6.035 4.340 3.277 0.000 0.209 159 Q C 2.230 178.200 176.000 -0.051 0.000 0.988 159 Q CA 1.443 57.276 55.803 0.050 0.000 0.878 159 Q CB -0.297 28.464 28.738 0.039 0.000 0.909 159 Q HN 0.345 nan 8.270 nan 0.000 0.424 160 R N 0.187 120.585 120.500 -0.170 0.000 2.189 160 R HA -0.064 6.242 4.340 3.277 0.000 0.218 160 R C 1.061 177.208 176.300 -0.255 0.000 1.074 160 R CA 0.612 56.551 56.100 -0.269 0.000 0.991 160 R CB 0.238 30.329 30.300 -0.348 0.000 0.883 160 R HN 0.220 nan 8.270 nan 0.000 0.457 161 L N 1.088 122.295 121.223 -0.027 0.000 2.628 161 L HA 0.045 6.351 4.340 3.277 0.000 0.229 161 L C 0.279 177.412 176.870 0.438 0.000 1.137 161 L CA 0.275 55.318 54.840 0.339 0.000 0.909 161 L CB -1.127 41.177 42.059 0.408 0.000 1.137 161 L HN 0.251 nan 8.230 nan 0.000 0.470 162 N N 0.899 119.739 118.700 0.234 0.000 2.727 162 N HA -0.222 6.484 4.740 3.277 0.000 0.249 162 N C -0.359 175.263 175.510 0.186 0.000 1.048 162 N CA 0.555 53.723 53.050 0.198 0.000 0.714 162 N CB -0.389 38.259 38.487 0.268 0.000 0.959 162 N HN 0.069 nan 8.380 nan 0.000 0.544 163 M N 0.777 120.500 119.600 0.206 0.000 2.294 163 M HA 0.328 6.774 4.480 3.277 0.000 0.335 163 M C 0.675 177.061 176.300 0.143 0.000 1.079 163 M CA -0.718 54.682 55.300 0.167 0.000 0.982 163 M CB 1.352 34.070 32.600 0.196 0.000 1.651 163 M HN 0.363 nan 8.290 nan 0.000 0.437 164 N N 1.346 120.105 118.700 0.098 0.000 2.495 164 N HA 0.246 6.952 4.740 3.277 0.000 0.294 164 N C 0.164 175.746 175.510 0.119 0.000 1.276 164 N CA -0.295 52.815 53.050 0.099 0.000 0.973 164 N CB 0.385 38.915 38.487 0.072 0.000 1.143 164 N HN 0.347 nan 8.380 nan 0.000 0.589 165 D N -0.509 119.975 120.400 0.139 0.000 2.097 165 D HA -0.061 6.545 4.640 3.277 0.000 0.195 165 D C 1.786 178.195 176.300 0.182 0.000 0.989 165 D CA 1.273 55.419 54.000 0.243 0.000 0.827 165 D CB -0.121 40.791 40.800 0.186 0.000 0.966 165 D HN 0.446 nan 8.370 nan 0.000 0.456 166 R N 0.511 121.082 120.500 0.119 0.000 2.105 166 R HA -0.126 6.180 4.340 3.277 0.000 0.239 166 R C 2.135 178.520 176.300 0.141 0.000 1.135 166 R CA 1.092 57.268 56.100 0.125 0.000 0.967 166 R CB -0.162 30.204 30.300 0.111 0.000 0.861 166 R HN 0.379 nan 8.270 nan 0.000 0.442 167 E N -0.159 120.083 120.200 0.069 0.000 2.107 167 E HA -0.115 6.201 4.350 3.277 0.000 0.191 167 E C 2.052 178.587 176.600 -0.108 0.000 0.982 167 E CA 0.951 57.355 56.400 0.006 0.000 0.809 167 E CB 0.097 29.794 29.700 -0.004 0.000 0.756 167 E HN 0.071 nan 8.360 nan 0.000 0.459 168 V N 0.806 120.615 119.914 -0.175 0.000 2.237 168 V HA -0.251 5.835 4.120 3.277 0.000 0.245 168 V C 2.334 178.239 176.094 -0.314 0.000 1.046 168 V CA 1.490 63.516 62.300 -0.457 0.000 1.007 168 V CB -0.425 31.174 31.823 -0.374 0.000 0.638 168 V HN 0.137 nan 8.190 nan 0.000 0.445 169 V N 0.459 120.293 119.914 -0.134 0.000 2.324 169 V HA -0.322 5.764 4.120 3.277 0.000 0.250 169 V C 2.697 178.974 176.094 0.304 0.000 1.060 169 V CA 2.184 64.518 62.300 0.056 0.000 1.042 169 V CB -1.365 30.529 31.823 0.118 0.000 0.650 169 V HN 0.574 nan 8.190 nan 0.000 0.450 170 A N -0.220 122.807 122.820 0.345 0.000 1.865 170 A HA -0.186 6.100 4.320 3.277 0.000 0.217 170 A C 2.244 180.057 177.584 0.382 0.000 1.191 170 A CA 2.049 54.306 52.037 0.367 0.000 0.623 170 A CB -0.620 18.509 19.000 0.216 0.000 0.826 170 A HN 0.492 nan 8.150 nan 0.000 0.444 171 L N -1.943 119.315 121.223 0.058 0.000 2.083 171 L HA -0.185 6.121 4.340 3.277 0.000 0.209 171 L C 2.745 179.484 176.870 -0.219 0.000 1.083 171 L CA 1.626 56.432 54.840 -0.056 0.000 0.752 171 L CB -0.346 41.526 42.059 -0.312 0.000 0.899 171 L HN 0.417 nan 8.230 nan 0.000 0.433 172 M N -0.067 119.277 119.600 -0.425 0.000 2.358 172 M HA -0.082 6.364 4.480 3.277 0.000 0.264 172 M C 1.948 177.439 176.300 -1.349 0.000 1.064 172 M CA 1.311 56.108 55.300 -0.838 0.000 1.093 172 M CB -0.566 31.635 32.600 -0.665 0.000 1.401 172 M HN 0.181 nan 8.290 nan 0.000 0.440 173 G N -0.817 107.463 108.800 -0.867 0.000 2.527 173 G HA2 -0.138 5.788 3.960 3.277 0.000 0.219 173 G HA3 -0.138 5.788 3.960 3.277 0.000 0.219 173 G C 1.479 175.859 174.900 -0.867 0.000 1.117 173 G CA 0.775 45.231 45.100 -1.073 0.000 0.759 173 G HN 0.619 nan 8.290 nan 0.000 0.556 174 A N -0.002 122.445 122.820 -0.620 0.000 2.186 174 A HA -0.061 6.225 4.320 3.277 0.000 0.219 174 A C 1.732 179.050 177.584 -0.443 0.000 1.159 174 A CA 1.032 52.787 52.037 -0.470 0.000 0.680 174 A CB -0.667 18.218 19.000 -0.191 0.000 0.787 174 A HN 0.646 nan 8.150 nan 0.000 0.467 175 H N -1.127 117.399 119.070 -0.906 0.000 2.553 175 H HA 0.239 6.759 4.556 3.274 0.000 0.269 175 H C 2.036 177.008 175.328 -0.593 0.000 1.011 175 H CA 0.010 55.427 56.048 -1.052 0.000 1.150 175 H CB 0.196 29.057 29.762 -1.502 0.000 1.339 175 H HN 0.591 nan 8.280 nan 0.000 0.604 176 A N 0.794 123.383 122.820 -0.384 0.000 2.119 176 A HA 0.006 6.292 4.320 3.277 0.000 0.217 176 A C 0.865 178.391 177.584 -0.098 0.000 1.153 176 A CA 0.415 52.318 52.037 -0.222 0.000 0.692 176 A CB -0.115 18.657 19.000 -0.381 0.000 0.799 176 A HN 0.213 nan 8.150 nan 0.000 0.458 177 L N -0.830 120.353 121.223 -0.066 0.000 2.307 177 L HA 0.576 6.883 4.340 3.277 0.000 0.282 177 L C 1.322 178.308 176.870 0.194 0.000 1.051 177 L CA 0.044 54.908 54.840 0.041 0.000 0.804 177 L CB 0.983 43.053 42.059 0.019 0.000 1.197 177 L HN 0.521 nan 8.230 nan 0.000 0.431 178 G N 3.113 111.981 108.800 0.113 0.000 2.574 178 G HA2 -0.282 5.644 3.960 3.277 0.000 0.286 178 G HA3 -0.282 5.644 3.960 3.277 0.000 0.286 178 G C -0.444 174.439 174.900 -0.028 0.000 1.212 178 G CA 0.591 45.730 45.100 0.065 0.000 0.979 178 G HN 0.976 nan 8.290 nan 0.000 0.557 179 K N -1.816 118.455 120.400 -0.216 0.000 2.615 179 K HA 0.661 6.947 4.320 3.277 0.000 0.291 179 K C -0.452 175.712 176.600 -0.727 0.000 1.017 179 K CA -0.211 55.690 56.287 -0.645 0.000 0.882 179 K CB 1.070 33.280 32.500 -0.484 0.000 1.522 179 K HN 1.276 nan 8.250 nan 0.000 0.412 180 T N -0.776 113.298 114.554 -0.800 0.000 2.909 180 T HA 0.421 6.737 4.350 3.277 0.000 0.286 180 T C -0.707 173.698 174.700 -0.491 0.000 1.002 180 T CA -0.488 61.354 62.100 -0.430 0.000 1.074 180 T CB 0.433 69.166 68.868 -0.225 0.000 0.984 180 T HN 0.599 nan 8.240 nan 0.000 0.495 181 H N 1.674 120.725 119.070 -0.030 0.000 2.539 181 H HA 0.423 6.944 4.556 3.275 0.000 0.332 181 H C 0.689 176.026 175.328 0.014 0.000 1.031 181 H CA -0.914 55.126 56.048 -0.015 0.000 1.206 181 H CB 1.597 31.351 29.762 -0.014 0.000 1.446 181 H HN 0.480 nan 8.280 nan 0.000 0.496 182 L N 3.064 124.338 121.223 0.085 0.000 2.042 182 L HA -0.181 6.126 4.340 3.277 0.000 0.210 182 L C 2.380 179.280 176.870 0.050 0.000 1.076 182 L CA 2.306 57.170 54.840 0.041 0.000 0.749 182 L CB -0.534 41.526 42.059 0.002 0.000 0.893 182 L HN 0.787 nan 8.230 nan 0.000 0.432 183 K N -0.532 119.908 120.400 0.067 0.000 2.360 183 K HA -0.119 6.167 4.320 3.277 0.000 0.201 183 K C 2.164 178.801 176.600 0.062 0.000 1.046 183 K CA 1.751 58.068 56.287 0.050 0.000 0.945 183 K CB -0.671 31.852 32.500 0.040 0.000 0.750 183 K HN 0.534 nan 8.250 nan 0.000 0.464 184 R N -0.684 119.875 120.500 0.099 0.000 2.123 184 R HA 0.030 6.336 4.340 3.277 0.000 0.209 184 R C 2.260 178.640 176.300 0.132 0.000 1.078 184 R CA 1.486 57.649 56.100 0.104 0.000 1.028 184 R CB 0.438 30.804 30.300 0.110 0.000 0.939 184 R HN 0.571 nan 8.270 nan 0.000 0.463 185 S N -2.285 113.514 115.700 0.164 0.000 2.628 185 S HA 0.226 6.662 4.470 3.277 0.000 0.246 185 S C 1.152 175.863 174.600 0.186 0.000 1.062 185 S CA 0.278 58.615 58.200 0.228 0.000 1.028 185 S CB 1.598 64.994 63.200 0.327 0.000 0.985 185 S HN 0.403 nan 8.310 nan 0.000 0.551 186 G N 0.398 109.227 108.800 0.049 0.000 2.141 186 G HA2 -0.212 5.714 3.960 3.277 0.000 0.242 186 G HA3 -0.212 5.714 3.960 3.277 0.000 0.242 186 G C -0.292 174.345 174.900 -0.439 0.000 0.982 186 G CA 0.278 45.273 45.100 -0.176 0.000 0.662 186 G HN 0.572 nan 8.290 nan 0.000 0.527 187 Y N -0.680 119.631 120.300 0.020 0.000 2.536 187 Y HA 0.713 7.229 4.550 3.277 0.000 0.347 187 Y C 0.075 175.946 175.900 -0.049 0.000 1.000 187 Y CA -1.154 56.943 58.100 -0.005 0.000 1.051 187 Y CB 2.236 40.704 38.460 0.013 0.000 1.259 187 Y HN 0.122 nan 8.280 nan 0.000 0.468 188 E N 0.890 121.138 120.200 0.079 0.000 2.263 188 E HA 0.699 7.016 4.350 3.277 0.000 0.268 188 E C -0.687 175.874 176.600 -0.066 0.000 0.884 188 E CA -0.367 56.016 56.400 -0.028 0.000 0.766 188 E CB 1.713 31.398 29.700 -0.025 0.000 1.196 188 E HN 0.910 nan 8.360 nan 0.000 0.416 189 G N 3.776 112.473 108.800 -0.172 0.000 2.317 189 G HA2 0.119 6.045 3.960 3.277 0.000 0.445 189 G HA3 0.119 6.045 3.960 3.277 0.000 0.445 189 G C -3.046 171.690 174.900 -0.273 0.000 1.486 189 G CA -0.632 44.377 45.100 -0.152 0.000 0.991 189 G HN 0.442 nan 8.290 nan 0.000 0.660 190 P HA 0.360 nan 4.420 nan 0.000 0.275 190 P C 0.471 177.712 177.300 -0.098 0.000 1.227 190 P CA -0.280 62.717 63.100 -0.172 0.000 0.781 190 P CB 0.619 32.305 31.700 -0.023 0.000 0.906 191 F N 1.669 121.610 119.950 -0.015 0.000 2.186 191 F HA 0.094 6.586 4.527 3.275 0.000 0.299 191 F C 1.975 177.726 175.800 -0.082 0.000 1.090 191 F CA 2.055 60.063 58.000 0.014 0.000 1.307 191 F CB -0.707 38.285 39.000 -0.013 0.000 1.019 191 F HN 0.452 nan 8.300 nan 0.000 0.489 192 G N -2.186 106.553 108.800 -0.101 0.000 2.846 192 G HA2 0.517 6.443 3.960 3.277 0.000 0.299 192 G HA3 0.517 6.443 3.960 3.277 0.000 0.299 192 G C 0.384 174.939 174.900 -0.575 0.000 1.242 192 G CA -0.084 44.608 45.100 -0.679 0.000 0.800 192 G HN 0.115 nan 8.290 nan 0.000 0.538 193 A N -0.576 121.928 122.820 -0.527 0.000 1.843 193 A HA 0.587 6.873 4.320 3.277 0.000 0.213 193 A C 1.740 179.294 177.584 -0.050 0.000 1.202 193 A CA 1.961 53.919 52.037 -0.133 0.000 0.607 193 A CB -0.767 18.227 19.000 -0.011 0.000 0.847 193 A HN 1.832 nan 8.150 nan 0.000 0.445 194 A N 0.473 123.259 122.820 -0.057 0.000 2.650 194 A HA 0.453 6.739 4.320 3.277 0.000 0.320 194 A C 0.203 177.779 177.584 -0.013 0.000 1.466 194 A CA -0.365 51.665 52.037 -0.013 0.000 1.099 194 A CB -0.740 18.261 19.000 0.002 0.000 1.136 194 A HN 0.579 nan 8.150 nan 0.000 0.532 195 N N 1.336 120.037 118.700 0.003 0.000 2.457 195 N HA -0.094 6.613 4.740 3.277 0.000 0.180 195 N C 0.624 176.148 175.510 0.024 0.000 1.050 195 N CA 1.066 54.123 53.050 0.011 0.000 0.906 195 N CB 0.138 38.633 38.487 0.012 0.000 0.968 195 N HN 0.745 nan 8.380 nan 0.000 0.445 196 N N -0.702 118.017 118.700 0.032 0.000 2.387 196 N HA 0.104 6.810 4.740 3.277 0.000 0.259 196 N C -1.343 174.203 175.510 0.060 0.000 1.369 196 N CA -0.145 52.930 53.050 0.042 0.000 0.867 196 N CB 0.167 38.678 38.487 0.040 0.000 1.341 196 N HN -0.175 nan 8.380 nan 0.000 0.495 197 V N 1.190 121.141 119.914 0.062 0.000 2.531 197 V HA 0.426 6.512 4.120 3.277 0.000 0.301 197 V C -1.065 175.096 176.094 0.112 0.000 1.034 197 V CA -0.944 61.414 62.300 0.098 0.000 0.865 197 V CB 1.766 33.641 31.823 0.086 0.000 0.995 197 V HN 0.210 nan 8.190 nan 0.000 0.424 198 F N 5.554 125.511 119.950 0.012 0.000 2.404 198 F HA 0.558 7.050 4.527 3.274 0.000 0.359 198 F C 0.779 176.692 175.800 0.188 0.000 1.134 198 F CA 0.239 58.231 58.000 -0.013 0.000 1.160 198 F CB 0.557 39.447 39.000 -0.183 0.000 1.186 198 F HN 0.711 nan 8.300 nan 0.000 0.526 199 T N 0.572 115.146 114.554 0.033 0.000 2.742 199 T HA 0.252 6.569 4.350 3.277 0.000 0.282 199 T C 0.363 175.152 174.700 0.148 0.000 1.025 199 T CA -0.688 61.561 62.100 0.248 0.000 1.020 199 T CB 1.222 70.159 68.868 0.115 0.000 1.317 199 T HN 0.592 nan 8.240 nan 0.000 0.538 200 N N -0.811 118.007 118.700 0.197 0.000 2.362 200 N HA 0.044 6.750 4.740 3.277 0.000 0.211 200 N C 1.215 176.704 175.510 -0.035 0.000 1.170 200 N CA -0.322 52.721 53.050 -0.010 0.000 0.828 200 N CB 0.111 38.684 38.487 0.143 0.000 1.034 200 N HN 0.727 nan 8.380 nan 0.000 0.475 201 E N 0.673 120.830 120.200 -0.071 0.000 2.265 201 E HA -0.243 6.073 4.350 3.277 0.000 0.196 201 E C 1.143 177.676 176.600 -0.112 0.000 0.996 201 E CA 0.683 57.044 56.400 -0.065 0.000 0.832 201 E CB -0.127 29.529 29.700 -0.074 0.000 0.756 201 E HN 0.592 nan 8.360 nan 0.000 0.491 202 F N 0.518 120.199 119.950 -0.449 0.000 2.095 202 F HA -0.275 6.218 4.527 3.276 0.000 0.298 202 F C 1.523 176.999 175.800 -0.539 0.000 1.104 202 F CA 1.819 59.471 58.000 -0.581 0.000 1.232 202 F CB -0.437 38.025 39.000 -0.897 0.000 0.987 202 F HN 0.052 nan 8.300 nan 0.000 0.475 203 Y N 0.086 120.282 120.300 -0.174 0.000 2.163 203 Y HA -0.157 6.358 4.550 3.274 0.000 0.288 203 Y C 2.386 178.188 175.900 -0.164 0.000 1.136 203 Y CA 1.316 59.281 58.100 -0.224 0.000 1.147 203 Y CB -0.877 37.521 38.460 -0.103 0.000 0.987 203 Y HN 0.043 nan 8.280 nan 0.000 0.509 204 L N 0.027 121.278 121.223 0.047 0.000 2.017 204 L HA -0.260 6.046 4.340 3.277 0.000 0.208 204 L C 2.065 178.968 176.870 0.055 0.000 1.073 204 L CA 1.303 56.170 54.840 0.046 0.000 0.745 204 L CB -0.549 41.538 42.059 0.046 0.000 0.894 204 L HN 0.281 nan 8.230 nan 0.000 0.432 205 N N 0.001 118.731 118.700 0.050 0.000 2.120 205 N HA -0.150 6.556 4.740 3.277 0.000 0.188 205 N C 1.955 177.695 175.510 0.384 0.000 1.024 205 N CA 1.173 54.352 53.050 0.216 0.000 0.852 205 N CB -0.421 38.224 38.487 0.262 0.000 1.003 205 N HN 0.261 nan 8.380 nan 0.000 0.424 206 L N 0.645 121.886 121.223 0.030 0.000 2.043 206 L HA -0.154 6.152 4.340 3.277 0.000 0.212 206 L C 2.144 179.053 176.870 0.065 0.000 1.075 206 L CA 1.056 55.807 54.840 -0.147 0.000 0.752 206 L CB -0.366 41.354 42.059 -0.566 0.000 0.891 206 L HN 0.145 nan 8.230 nan 0.000 0.432 207 L N -1.140 120.104 121.223 0.034 0.000 2.131 207 L HA -0.130 6.176 4.340 3.277 0.000 0.206 207 L C 1.744 178.682 176.870 0.114 0.000 1.087 207 L CA 1.416 56.284 54.840 0.047 0.000 0.767 207 L CB -0.385 41.679 42.059 0.008 0.000 0.917 207 L HN 0.351 nan 8.230 nan 0.000 0.441 208 N N -1.715 117.067 118.700 0.136 0.000 2.368 208 N HA 0.014 6.720 4.740 3.277 0.000 0.178 208 N C 0.322 175.860 175.510 0.048 0.000 1.076 208 N CA -0.219 52.881 53.050 0.084 0.000 0.889 208 N CB 0.600 39.123 38.487 0.060 0.000 1.040 208 N HN 0.142 nan 8.380 nan 0.000 0.463 209 E N 0.799 121.033 120.200 0.057 0.000 2.369 209 E HA 0.004 6.320 4.350 3.277 0.000 0.255 209 E C -0.800 175.599 176.600 -0.336 0.000 1.172 209 E CA 0.068 56.316 56.400 -0.254 0.000 0.932 209 E CB 0.714 30.051 29.700 -0.605 0.000 1.040 209 E HN -0.057 nan 8.360 nan 0.000 0.454 210 D N 0.582 120.713 120.400 -0.447 0.000 2.392 210 D HA 0.294 6.900 4.640 3.277 0.000 0.228 210 D C -1.261 174.851 176.300 -0.314 0.000 1.074 210 D CA -0.460 53.393 54.000 -0.244 0.000 0.838 210 D CB -0.012 40.713 40.800 -0.125 0.000 1.067 210 D HN 0.260 nan 8.370 nan 0.000 0.511 211 W N 2.185 123.575 121.300 0.150 0.000 2.496 211 W HA 0.534 7.165 4.660 3.285 0.000 0.327 211 W C 0.327 177.015 176.519 0.281 0.000 1.086 211 W CA -0.851 56.629 57.345 0.226 0.000 1.222 211 W CB 1.956 31.564 29.460 0.246 0.000 1.304 211 W HN 0.198 nan 8.180 nan 0.000 0.547 212 K N 2.966 123.639 120.400 0.454 0.000 2.507 212 K HA 0.412 6.698 4.320 3.277 0.000 0.251 212 K C -1.334 175.205 176.600 -0.102 0.000 0.943 212 K CA -1.095 55.303 56.287 0.185 0.000 0.794 212 K CB 1.788 34.327 32.500 0.065 0.000 1.188 212 K HN 0.446 nan 8.250 nan 0.000 0.428 213 L N 2.576 123.426 121.223 -0.621 0.000 2.360 213 L HA 0.388 6.694 4.340 3.277 0.000 0.276 213 L C -0.064 176.524 176.870 -0.471 0.000 1.121 213 L CA 0.944 55.163 54.840 -1.034 0.000 0.845 213 L CB -0.020 41.102 42.059 -1.561 0.000 1.143 213 L HN 0.766 nan 8.230 nan 0.000 0.452 214 E N 3.967 123.961 120.200 -0.344 0.000 2.408 214 E HA 0.379 6.695 4.350 3.277 0.000 0.275 214 E C -1.198 175.314 176.600 -0.148 0.000 0.935 214 E CA -1.120 55.169 56.400 -0.185 0.000 0.775 214 E CB 1.936 31.570 29.700 -0.109 0.000 1.277 214 E HN 0.429 nan 8.360 nan 0.000 0.455 215 K N 1.934 122.270 120.400 -0.107 0.000 2.234 215 K HA 0.184 6.470 4.320 3.277 0.000 0.282 215 K C -0.028 176.529 176.600 -0.071 0.000 1.039 215 K CA -0.443 55.791 56.287 -0.087 0.000 0.928 215 K CB 0.551 33.005 32.500 -0.078 0.000 1.039 215 K HN 0.435 nan 8.250 nan 0.000 0.470 216 N N 0.830 119.486 118.700 -0.074 0.000 2.418 216 N HA 0.035 6.741 4.740 3.277 0.000 0.283 216 N C 0.086 175.553 175.510 -0.071 0.000 1.267 216 N CA -0.341 52.671 53.050 -0.064 0.000 0.975 216 N CB 0.321 38.769 38.487 -0.065 0.000 1.167 216 N HN 0.306 nan 8.380 nan 0.000 0.581 217 D N -1.536 118.828 120.400 -0.061 0.000 2.392 217 D HA 0.040 6.646 4.640 3.277 0.000 0.228 217 D C 0.476 176.736 176.300 -0.066 0.000 1.003 217 D CA 0.719 54.687 54.000 -0.055 0.000 0.917 217 D CB -0.320 40.456 40.800 -0.039 0.000 0.890 217 D HN 0.654 nan 8.370 nan 0.000 0.532 218 A N 0.313 123.074 122.820 -0.097 0.000 2.503 218 A HA 0.171 6.457 4.320 3.277 0.000 0.263 218 A C 0.724 178.239 177.584 -0.116 0.000 1.258 218 A CA -0.228 51.746 52.037 -0.106 0.000 0.936 218 A CB -0.133 18.788 19.000 -0.131 0.000 1.070 218 A HN 0.057 nan 8.150 nan 0.000 0.522 219 N N 0.268 118.905 118.700 -0.105 0.000 2.780 219 N HA -0.131 6.575 4.740 3.277 0.000 0.248 219 N C -1.195 174.247 175.510 -0.112 0.000 1.102 219 N CA 0.846 53.842 53.050 -0.091 0.000 0.697 219 N CB -1.557 36.890 38.487 -0.067 0.000 1.028 219 N HN 0.564 nan 8.380 nan 0.000 0.554 220 N N 0.636 119.237 118.700 -0.165 0.000 2.319 220 N HA 0.273 6.979 4.740 3.277 0.000 0.305 220 N C -0.543 174.902 175.510 -0.108 0.000 1.103 220 N CA -0.410 52.525 53.050 -0.191 0.000 0.815 220 N CB 1.054 39.246 38.487 -0.492 0.000 1.288 220 N HN 0.231 nan 8.380 nan 0.000 0.493 221 E N 0.822 121.012 120.200 -0.017 0.000 2.313 221 E HA 0.142 6.458 4.350 3.277 0.000 0.276 221 E C -0.333 176.344 176.600 0.127 0.000 1.031 221 E CA -0.190 56.205 56.400 -0.010 0.000 0.857 221 E CB 0.732 30.395 29.700 -0.061 0.000 1.040 221 E HN 0.441 nan 8.360 nan 0.000 0.408 222 Q N 2.010 121.820 119.800 0.015 0.000 2.418 222 Q HA 0.363 6.669 4.340 3.277 0.000 0.282 222 Q C -1.447 174.499 176.000 -0.091 0.000 1.044 222 Q CA -1.023 54.840 55.803 0.099 0.000 0.813 222 Q CB 0.990 29.890 28.738 0.268 0.000 1.428 222 Q HN 0.405 nan 8.270 nan 0.000 0.402 223 W N 1.567 122.891 121.300 0.039 0.000 2.322 223 W HA 0.393 7.016 4.660 3.271 0.000 0.307 223 W C -0.627 176.073 176.519 0.302 0.000 1.220 223 W CA 0.269 57.636 57.345 0.037 0.000 1.210 223 W CB 1.162 30.470 29.460 -0.253 0.000 1.223 223 W HN 0.455 nan 8.180 nan 0.000 0.511 224 D N 1.751 122.429 120.400 0.463 0.000 2.375 224 D HA 0.262 6.869 4.640 3.277 0.000 0.247 224 D C -0.204 176.226 176.300 0.217 0.000 1.061 224 D CA -0.344 53.854 54.000 0.330 0.000 0.834 224 D CB 1.827 42.700 40.800 0.121 0.000 1.247 224 D HN 0.240 nan 8.370 nan 0.000 0.489 225 S N -0.025 115.638 115.700 -0.062 0.000 2.654 225 S HA 0.513 6.949 4.470 3.277 0.000 0.283 225 S C 1.266 175.647 174.600 -0.365 0.000 1.180 225 S CA -0.426 57.454 58.200 -0.534 0.000 1.021 225 S CB 1.760 64.239 63.200 -1.201 0.000 1.018 225 S HN 0.435 nan 8.310 nan 0.000 0.532 226 K N 1.147 121.329 120.400 -0.364 0.000 2.211 226 K HA -0.001 6.286 4.320 3.277 0.000 0.204 226 K C 2.038 178.450 176.600 -0.313 0.000 1.047 226 K CA 2.110 58.238 56.287 -0.264 0.000 0.935 226 K CB -1.416 30.956 32.500 -0.213 0.000 0.728 226 K HN 0.649 nan 8.250 nan 0.000 0.452 227 S N -1.277 114.128 115.700 -0.492 0.000 2.562 227 S HA 0.326 6.762 4.470 3.277 0.000 0.221 227 S C 1.528 175.740 174.600 -0.646 0.000 0.975 227 S CA 0.575 58.398 58.200 -0.629 0.000 0.918 227 S CB 0.163 62.759 63.200 -1.006 0.000 0.772 227 S HN 1.253 nan 8.310 nan 0.000 0.531 228 G N 0.472 108.988 108.800 -0.472 0.000 2.134 228 G HA2 -0.224 5.702 3.960 3.277 0.000 0.209 228 G HA3 -0.224 5.702 3.960 3.277 0.000 0.209 228 G C -0.085 174.790 174.900 -0.041 0.000 0.993 228 G CA -0.345 44.622 45.100 -0.222 0.000 0.669 228 G HN 0.551 nan 8.290 nan 0.000 0.519 229 Y N -0.665 119.624 120.300 -0.018 0.000 2.458 229 Y HA 0.725 7.241 4.550 3.277 0.000 0.322 229 Y C 0.709 176.761 175.900 0.252 0.000 1.259 229 Y CA -1.082 57.083 58.100 0.108 0.000 1.302 229 Y CB 1.128 39.693 38.460 0.174 0.000 1.314 229 Y HN 0.305 nan 8.280 nan 0.000 0.509 230 M N 0.821 120.727 119.600 0.510 0.000 2.619 230 M HA 0.659 7.105 4.480 3.277 0.000 0.297 230 M C -1.594 175.015 176.300 0.516 0.000 1.229 230 M CA -0.881 54.722 55.300 0.505 0.000 0.860 230 M CB 2.161 34.911 32.600 0.250 0.000 1.741 230 M HN 0.370 nan 8.290 nan 0.000 0.462 231 M N 2.426 122.253 119.600 0.379 0.000 2.530 231 M HA 0.580 7.026 4.480 3.277 0.000 0.307 231 M C -1.130 175.325 176.300 0.258 0.000 1.161 231 M CA -0.526 54.906 55.300 0.220 0.000 0.903 231 M CB 2.225 34.696 32.600 -0.215 0.000 1.711 231 M HN 0.862 nan 8.290 nan 0.000 0.451 232 L N 2.553 123.904 121.223 0.214 0.000 2.436 232 L HA 0.172 6.479 4.340 3.277 0.000 0.265 232 L C -1.333 175.669 176.870 0.219 0.000 1.168 232 L CA -1.467 53.426 54.840 0.089 0.000 0.815 232 L CB 0.084 42.133 42.059 -0.018 0.000 1.109 232 L HN 0.436 nan 8.230 nan 0.000 0.462 233 P HA -0.186 nan 4.420 nan 0.000 0.216 233 P C 1.448 178.892 177.300 0.241 0.000 1.150 233 P CA 1.617 64.918 63.100 0.336 0.000 0.843 233 P CB -0.074 31.780 31.700 0.257 0.000 0.787 234 T N -3.663 110.995 114.554 0.173 0.000 2.821 234 T HA -0.135 6.181 4.350 3.277 0.000 0.267 234 T C 1.444 176.227 174.700 0.138 0.000 1.046 234 T CA 1.281 63.487 62.100 0.177 0.000 1.139 234 T CB -1.029 67.953 68.868 0.189 0.000 0.871 234 T HN 0.037 nan 8.240 nan 0.000 0.454 235 D N 0.510 120.996 120.400 0.144 0.000 2.084 235 D HA -0.081 6.526 4.640 3.277 0.000 0.194 235 D C 1.734 177.994 176.300 -0.067 0.000 0.990 235 D CA 1.217 55.293 54.000 0.126 0.000 0.826 235 D CB -0.600 40.306 40.800 0.177 0.000 0.971 235 D HN 0.499 nan 8.370 nan 0.000 0.453 236 Y N 1.641 121.785 120.300 -0.259 0.000 2.352 236 Y HA -0.229 6.285 4.550 3.273 0.000 0.292 236 Y C 2.480 178.187 175.900 -0.321 0.000 1.136 236 Y CA 1.589 59.375 58.100 -0.523 0.000 1.227 236 Y CB -0.035 37.847 38.460 -0.962 0.000 0.991 236 Y HN -0.033 nan 8.280 nan 0.000 0.545 237 S N -0.009 115.672 115.700 -0.032 0.000 2.419 237 S HA -0.225 6.211 4.470 3.277 0.000 0.235 237 S C 1.774 176.385 174.600 0.018 0.000 1.019 237 S CA 1.508 59.731 58.200 0.038 0.000 0.982 237 S CB -1.022 62.285 63.200 0.178 0.000 0.789 237 S HN 0.576 nan 8.310 nan 0.000 0.490 238 L N 0.845 122.017 121.223 -0.083 0.000 2.353 238 L HA 0.054 6.360 4.340 3.277 0.000 0.220 238 L C 2.312 179.121 176.870 -0.103 0.000 1.133 238 L CA 1.295 56.087 54.840 -0.080 0.000 0.798 238 L CB -0.800 41.165 42.059 -0.156 0.000 0.922 238 L HN 0.565 nan 8.230 nan 0.000 0.445 239 I N -5.187 115.197 120.570 -0.311 0.000 4.057 239 I HA 0.036 6.172 4.170 3.277 0.000 0.334 239 I C 2.001 177.948 176.117 -0.282 0.000 1.308 239 I CA 0.238 61.335 61.300 -0.338 0.000 1.125 239 I CB 0.039 37.729 38.000 -0.517 0.000 1.034 239 I HN 0.057 nan 8.210 nan 0.000 0.401 240 Q N 1.251 120.911 119.800 -0.234 0.000 2.250 240 Q HA 0.053 6.359 4.340 3.277 0.000 0.200 240 Q C 0.530 176.515 176.000 -0.024 0.000 0.941 240 Q CA 0.586 56.325 55.803 -0.107 0.000 0.872 240 Q CB 0.261 28.979 28.738 -0.034 0.000 0.965 240 Q HN 0.532 nan 8.270 nan 0.000 0.480 241 D N 0.968 121.379 120.400 0.019 0.000 2.312 241 D HA 0.025 6.631 4.640 3.277 0.000 0.252 241 D C -1.755 174.533 176.300 -0.020 0.000 1.150 241 D CA -1.923 52.079 54.000 0.003 0.000 0.870 241 D CB 1.634 42.433 40.800 -0.001 0.000 1.153 241 D HN -0.037 nan 8.370 nan 0.000 0.457 242 P HA -0.100 nan 4.420 nan 0.000 0.221 242 P C 1.118 178.389 177.300 -0.049 0.000 1.150 242 P CA 0.553 63.626 63.100 -0.045 0.000 0.800 242 P CB 0.464 32.139 31.700 -0.042 0.000 0.787 243 K N -0.678 119.669 120.400 -0.089 0.000 2.031 243 K HA -0.082 6.204 4.320 3.277 0.000 0.205 243 K C 2.382 178.985 176.600 0.005 0.000 1.049 243 K CA 1.225 57.459 56.287 -0.089 0.000 0.939 243 K CB -1.696 30.698 32.500 -0.177 0.000 0.717 243 K HN 0.386 nan 8.250 nan 0.000 0.438 244 Y N 0.230 120.506 120.300 -0.041 0.000 2.165 244 Y HA -0.218 6.292 4.550 3.267 0.000 0.286 244 Y C 2.410 178.265 175.900 -0.075 0.000 1.155 244 Y CA 0.839 58.913 58.100 -0.044 0.000 1.164 244 Y CB -0.279 38.168 38.460 -0.022 0.000 0.978 244 Y HN 0.045 nan 8.280 nan 0.000 0.513 245 L N -0.088 121.181 121.223 0.076 0.000 2.043 245 L HA -0.259 6.047 4.340 3.277 0.000 0.212 245 L C 2.276 179.116 176.870 -0.049 0.000 1.075 245 L CA 1.905 56.732 54.840 -0.022 0.000 0.752 245 L CB -0.799 41.230 42.059 -0.051 0.000 0.891 245 L HN -0.007 nan 8.230 nan 0.000 0.432 246 S N -0.494 115.178 115.700 -0.047 0.000 2.382 246 S HA -0.096 6.340 4.470 3.277 0.000 0.228 246 S C 1.910 176.427 174.600 -0.138 0.000 1.027 246 S CA 1.727 59.880 58.200 -0.079 0.000 0.991 246 S CB -0.431 62.729 63.200 -0.067 0.000 0.823 246 S HN 0.505 nan 8.310 nan 0.000 0.469 247 I N 0.921 121.403 120.570 -0.147 0.000 2.406 247 I HA -0.077 6.059 4.170 3.277 0.000 0.249 247 I C 2.135 177.974 176.117 -0.462 0.000 1.122 247 I CA 0.498 61.595 61.300 -0.339 0.000 1.431 247 I CB -0.479 37.362 38.000 -0.265 0.000 1.087 247 I HN 0.091 nan 8.210 nan 0.000 0.424 248 V N 1.237 121.031 119.914 -0.200 0.000 2.282 248 V HA -0.352 5.734 4.120 3.277 0.000 0.249 248 V C 2.481 178.493 176.094 -0.137 0.000 1.057 248 V CA 2.012 64.261 62.300 -0.084 0.000 1.032 248 V CB -0.709 31.132 31.823 0.030 0.000 0.645 248 V HN 0.407 nan 8.190 nan 0.000 0.447 249 K N -0.602 119.718 120.400 -0.132 0.000 2.097 249 K HA -0.196 6.091 4.320 3.277 0.000 0.205 249 K C 2.252 178.778 176.600 -0.123 0.000 1.050 249 K CA 1.447 57.675 56.287 -0.097 0.000 0.938 249 K CB -0.134 32.318 32.500 -0.080 0.000 0.718 249 K HN 0.580 nan 8.250 nan 0.000 0.442 250 E N 0.358 120.429 120.200 -0.215 0.000 2.047 250 E HA -0.183 6.134 4.350 3.277 0.000 0.191 250 E C 1.691 178.207 176.600 -0.140 0.000 0.987 250 E CA 1.208 57.481 56.400 -0.212 0.000 0.799 250 E CB -0.066 29.434 29.700 -0.332 0.000 0.752 250 E HN 0.424 nan 8.360 nan 0.000 0.449 251 Y N -0.196 119.940 120.300 -0.274 0.000 2.293 251 Y HA -0.123 6.391 4.550 3.274 0.000 0.291 251 Y C 2.395 178.149 175.900 -0.243 0.000 1.137 251 Y CA 0.140 58.002 58.100 -0.397 0.000 1.202 251 Y CB -0.003 37.757 38.460 -1.166 0.000 0.990 251 Y HN 0.196 nan 8.280 nan 0.000 0.537 252 A N 0.115 122.923 122.820 -0.019 0.000 2.067 252 A HA -0.143 6.143 4.320 3.277 0.000 0.219 252 A C 1.639 179.248 177.584 0.042 0.000 1.158 252 A CA 1.393 53.468 52.037 0.064 0.000 0.661 252 A CB -0.316 18.721 19.000 0.060 0.000 0.801 252 A HN 0.420 nan 8.150 nan 0.000 0.452 253 N N -0.655 118.059 118.700 0.023 0.000 2.184 253 N HA 0.045 6.751 4.740 3.277 0.000 0.206 253 N C -0.946 174.583 175.510 0.032 0.000 1.151 253 N CA 0.228 53.289 53.050 0.019 0.000 0.878 253 N CB 0.807 39.294 38.487 -0.002 0.000 1.014 253 N HN 0.330 nan 8.380 nan 0.000 0.512 254 D N 0.625 121.064 120.400 0.065 0.000 2.411 254 D HA 0.122 6.728 4.640 3.277 0.000 0.239 254 D C 0.740 177.112 176.300 0.120 0.000 1.307 254 D CA -0.132 53.916 54.000 0.080 0.000 0.930 254 D CB 0.719 41.576 40.800 0.094 0.000 1.395 254 D HN -0.085 nan 8.370 nan 0.000 0.536 255 Q N 0.935 120.767 119.800 0.053 0.000 2.096 255 Q HA -0.175 6.131 4.340 3.277 0.000 0.204 255 Q C 0.914 176.877 176.000 -0.061 0.000 0.982 255 Q CA 1.559 57.366 55.803 0.006 0.000 0.850 255 Q CB 0.216 28.865 28.738 -0.147 0.000 0.901 255 Q HN 0.417 nan 8.270 nan 0.000 0.422 256 D N 0.453 120.819 120.400 -0.057 0.000 2.117 256 D HA -0.184 6.423 4.640 3.277 0.000 0.198 256 D C 1.933 178.281 176.300 0.081 0.000 0.982 256 D CA 1.047 55.033 54.000 -0.023 0.000 0.828 256 D CB 0.067 40.860 40.800 -0.011 0.000 0.967 256 D HN -0.032 nan 8.370 nan 0.000 0.464 257 R N -0.411 120.161 120.500 0.120 0.000 2.092 257 R HA -0.093 6.213 4.340 3.277 0.000 0.231 257 R C 2.033 178.447 176.300 0.190 0.000 1.119 257 R CA 1.228 57.433 56.100 0.174 0.000 0.970 257 R CB -1.269 29.160 30.300 0.216 0.000 0.864 257 R HN 0.317 nan 8.270 nan 0.000 0.440 258 F N 0.069 120.041 119.950 0.037 0.000 2.102 258 F HA -0.041 6.449 4.527 3.273 0.000 0.298 258 F C 1.663 177.521 175.800 0.096 0.000 1.105 258 F CA 1.330 59.173 58.000 -0.261 0.000 1.239 258 F CB -0.792 38.065 39.000 -0.239 0.000 0.991 258 F HN 0.050 nan 8.300 nan 0.000 0.474 259 F N 0.968 120.645 119.950 -0.455 0.000 2.065 259 F HA -0.289 6.205 4.527 3.278 0.000 0.298 259 F C 2.531 178.194 175.800 -0.229 0.000 1.112 259 F CA 1.593 59.349 58.000 -0.406 0.000 1.212 259 F CB -0.435 38.470 39.000 -0.159 0.000 0.975 259 F HN -0.078 nan 8.300 nan 0.000 0.476 260 K N 0.006 120.453 120.400 0.080 0.000 2.044 260 K HA -0.231 6.056 4.320 3.277 0.000 0.210 260 K C 1.541 178.142 176.600 0.002 0.000 1.049 260 K CA 1.979 58.290 56.287 0.040 0.000 0.927 260 K CB -0.323 32.214 32.500 0.061 0.000 0.713 260 K HN 0.190 nan 8.250 nan 0.000 0.443 261 D N 0.022 120.419 120.400 -0.005 0.000 2.117 261 D HA -0.127 6.479 4.640 3.277 0.000 0.198 261 D C 1.640 177.918 176.300 -0.037 0.000 0.982 261 D CA 0.762 54.772 54.000 0.015 0.000 0.828 261 D CB -0.269 40.599 40.800 0.113 0.000 0.967 261 D HN 0.072 nan 8.370 nan 0.000 0.464 262 F N 1.276 121.059 119.950 -0.277 0.000 2.102 262 F HA -0.230 6.263 4.527 3.276 0.000 0.298 262 F C 2.559 178.267 175.800 -0.153 0.000 1.105 262 F CA 1.584 59.429 58.000 -0.258 0.000 1.239 262 F CB -0.380 38.302 39.000 -0.530 0.000 0.991 262 F HN -0.139 nan 8.300 nan 0.000 0.474 263 S N 0.076 115.759 115.700 -0.029 0.000 2.372 263 S HA -0.307 6.129 4.470 3.277 0.000 0.227 263 S C 2.139 176.692 174.600 -0.079 0.000 1.044 263 S CA 2.088 60.264 58.200 -0.040 0.000 1.050 263 S CB -0.421 62.764 63.200 -0.026 0.000 0.901 263 S HN 0.497 nan 8.310 nan 0.000 0.447 264 K N 0.502 120.855 120.400 -0.077 0.000 2.026 264 K HA -0.007 6.279 4.320 3.277 0.000 0.208 264 K C 2.418 178.959 176.600 -0.097 0.000 1.048 264 K CA 1.290 57.535 56.287 -0.070 0.000 0.929 264 K CB -0.391 32.085 32.500 -0.041 0.000 0.713 264 K HN 0.449 nan 8.250 nan 0.000 0.439 265 A N 0.395 123.132 122.820 -0.138 0.000 1.929 265 A HA -0.109 6.177 4.320 3.277 0.000 0.216 265 A C 1.955 179.445 177.584 -0.158 0.000 1.176 265 A CA 0.909 52.860 52.037 -0.144 0.000 0.628 265 A CB -0.556 18.349 19.000 -0.159 0.000 0.816 265 A HN 0.340 nan 8.150 nan 0.000 0.444 266 F N 0.314 119.964 119.950 -0.501 0.000 2.163 266 F HA -0.081 6.409 4.527 3.271 0.000 0.297 266 F C 2.303 177.993 175.800 -0.184 0.000 1.094 266 F CA 1.657 59.388 58.000 -0.448 0.000 1.290 266 F CB 0.065 38.595 39.000 -0.783 0.000 1.017 266 F HN 0.396 nan 8.300 nan 0.000 0.483 267 E N 0.679 120.808 120.200 -0.118 0.000 2.077 267 E HA -0.300 6.017 4.350 3.277 0.000 0.193 267 E C 2.249 178.750 176.600 -0.165 0.000 0.989 267 E CA 1.433 57.749 56.400 -0.140 0.000 0.800 267 E CB -0.193 29.451 29.700 -0.092 0.000 0.746 267 E HN 0.387 nan 8.360 nan 0.000 0.452 268 K N 0.300 120.618 120.400 -0.136 0.000 2.057 268 K HA -0.187 6.099 4.320 3.277 0.000 0.207 268 K C 2.314 178.830 176.600 -0.139 0.000 1.049 268 K CA 1.205 57.419 56.287 -0.122 0.000 0.931 268 K CB -0.200 32.251 32.500 -0.082 0.000 0.714 268 K HN 0.171 nan 8.250 nan 0.000 0.440 269 L N 1.183 122.340 121.223 -0.110 0.000 2.012 269 L HA -0.160 6.147 4.340 3.277 0.000 0.210 269 L C 1.877 178.683 176.870 -0.107 0.000 1.073 269 L CA 1.526 56.340 54.840 -0.043 0.000 0.748 269 L CB -0.432 41.655 42.059 0.047 0.000 0.891 269 L HN 0.177 nan 8.230 nan 0.000 0.431 270 L N -0.548 120.551 121.223 -0.206 0.000 2.362 270 L HA -0.093 6.213 4.340 3.277 0.000 0.219 270 L C 2.175 178.981 176.870 -0.108 0.000 1.134 270 L CA 1.392 56.134 54.840 -0.163 0.000 0.807 270 L CB -0.759 41.158 42.059 -0.237 0.000 0.927 270 L HN 0.408 nan 8.230 nan 0.000 0.447 271 E N -1.740 118.381 120.200 -0.133 0.000 2.498 271 E HA 0.074 6.390 4.350 3.277 0.000 0.203 271 E C 0.125 176.597 176.600 -0.213 0.000 1.013 271 E CA -0.328 56.031 56.400 -0.067 0.000 0.927 271 E CB 0.234 29.949 29.700 0.026 0.000 1.012 271 E HN 0.329 nan 8.360 nan 0.000 0.482 272 N N 0.852 119.288 118.700 -0.440 0.000 2.454 272 N HA 0.023 6.729 4.740 3.277 0.000 0.260 272 N C 0.900 175.786 175.510 -1.041 0.000 1.218 272 N CA 1.297 53.761 53.050 -0.976 0.000 0.904 272 N CB 1.215 38.795 38.487 -1.511 0.000 1.065 272 N HN 0.338 nan 8.380 nan 0.000 0.462 273 G N 1.661 109.992 108.800 -0.782 0.000 2.194 273 G HA2 -0.239 5.687 3.960 3.277 0.000 0.236 273 G HA3 -0.239 5.687 3.960 3.277 0.000 0.236 273 G C 0.085 174.912 174.900 -0.122 0.000 0.987 273 G CA -0.284 44.689 45.100 -0.212 0.000 0.635 273 G HN 0.534 nan 8.290 nan 0.000 0.520 274 I N 2.278 122.711 120.570 -0.228 0.000 2.336 274 I HA 0.385 6.522 4.170 3.277 0.000 0.292 274 I C 0.156 176.029 176.117 -0.406 0.000 0.991 274 I CA -0.571 60.521 61.300 -0.348 0.000 1.227 274 I CB 1.737 39.448 38.000 -0.481 0.000 1.366 274 I HN -0.018 nan 8.210 nan 0.000 0.466 275 T N 6.336 120.658 114.554 -0.388 0.000 2.743 275 T HA 0.429 6.745 4.350 3.277 0.000 0.293 275 T C -0.405 174.061 174.700 -0.390 0.000 0.945 275 T CA -0.203 61.735 62.100 -0.270 0.000 1.030 275 T CB 0.118 68.894 68.868 -0.154 0.000 0.912 275 T HN 0.107 nan 8.240 nan 0.000 0.483 276 F N 4.041 123.954 119.950 -0.062 0.000 2.410 276 F HA 0.411 6.903 4.527 3.275 0.000 0.349 276 F C -1.685 174.081 175.800 -0.056 0.000 1.117 276 F CA -2.538 55.422 58.000 -0.068 0.000 1.104 276 F CB 0.418 39.351 39.000 -0.111 0.000 1.122 276 F HN 0.361 nan 8.300 nan 0.000 0.483 277 P HA 0.191 nan 4.420 nan 0.000 0.269 277 P C 0.771 178.101 177.300 0.049 0.000 1.215 277 P CA -0.163 62.971 63.100 0.057 0.000 0.780 277 P CB 0.601 32.327 31.700 0.043 0.000 0.898 278 K N 0.825 121.238 120.400 0.023 0.000 2.113 278 K HA -0.191 6.095 4.320 3.277 0.000 0.208 278 K C 1.412 178.010 176.600 -0.003 0.000 1.047 278 K CA 2.516 58.806 56.287 0.005 0.000 0.928 278 K CB -1.880 30.620 32.500 -0.000 0.000 0.716 278 K HN 0.725 nan 8.250 nan 0.000 0.446 279 D N -1.944 118.460 120.400 0.007 0.000 2.339 279 D HA 0.517 7.123 4.640 3.277 0.000 0.217 279 D C 0.972 177.274 176.300 0.004 0.000 1.050 279 D CA 0.126 54.128 54.000 0.003 0.000 0.856 279 D CB -0.429 40.377 40.800 0.011 0.000 0.922 279 D HN 0.767 nan 8.370 nan 0.000 0.518 280 A N 1.928 124.754 122.820 0.010 0.000 2.507 280 A HA 0.433 6.719 4.320 3.277 0.000 0.235 280 A C -1.419 176.125 177.584 -0.067 0.000 1.070 280 A CA -0.924 51.115 52.037 0.005 0.000 0.768 280 A CB -0.408 18.632 19.000 0.068 0.000 1.011 280 A HN 0.301 nan 8.150 nan 0.000 0.502 281 P HA 0.123 nan 4.420 nan 0.000 0.269 281 P C -0.024 177.085 177.300 -0.319 0.000 1.215 281 P CA -0.175 62.824 63.100 -0.169 0.000 0.780 281 P CB 0.298 31.904 31.700 -0.156 0.000 0.898 282 S N 2.541 118.069 115.700 -0.287 0.000 2.566 282 S HA 0.136 6.572 4.470 3.277 0.000 0.280 282 S C -1.958 172.317 174.600 -0.541 0.000 1.343 282 S CA -0.442 57.556 58.200 -0.337 0.000 1.036 282 S CB -0.907 62.160 63.200 -0.222 0.000 0.866 282 S HN 0.423 nan 8.310 nan 0.000 0.526 283 P HA 0.090 nan 4.420 nan 0.000 0.266 283 P C -0.789 176.270 177.300 -0.402 0.000 1.193 283 P CA 0.275 63.050 63.100 -0.541 0.000 0.770 283 P CB 0.159 31.636 31.700 -0.371 0.000 0.836 284 F N 1.667 121.510 119.950 -0.179 0.000 2.394 284 F HA 0.398 6.891 4.527 3.277 0.000 0.340 284 F C 0.924 176.515 175.800 -0.348 0.000 1.105 284 F CA -0.739 57.115 58.000 -0.243 0.000 1.124 284 F CB 0.656 39.447 39.000 -0.348 0.000 1.145 284 F HN 0.033 nan 8.300 nan 0.000 0.505 285 I N 4.298 124.825 120.570 -0.072 0.000 2.359 285 I HA 0.215 6.352 4.170 3.277 0.000 0.284 285 I C -0.758 175.327 176.117 -0.053 0.000 1.018 285 I CA -0.527 60.727 61.300 -0.076 0.000 1.173 285 I CB 0.509 38.495 38.000 -0.023 0.000 1.326 285 I HN 0.356 nan 8.210 nan 0.000 0.462 286 F N 5.548 125.572 119.950 0.124 0.000 2.429 286 F HA 0.258 6.751 4.527 3.275 0.000 0.348 286 F C 0.998 176.644 175.800 -0.258 0.000 1.109 286 F CA -0.529 57.361 58.000 -0.183 0.000 1.232 286 F CB 0.318 38.956 39.000 -0.602 0.000 1.157 286 F HN 0.249 nan 8.300 nan 0.000 0.564 287 K N 1.889 122.250 120.400 -0.064 0.000 2.401 287 K HA 0.119 6.405 4.320 3.277 0.000 0.278 287 K C 0.381 176.849 176.600 -0.220 0.000 1.018 287 K CA -0.154 56.081 56.287 -0.087 0.000 0.981 287 K CB 0.451 32.936 32.500 -0.024 0.000 0.933 287 K HN 0.809 nan 8.250 nan 0.000 0.477 288 T N -0.404 114.137 114.554 -0.022 0.000 2.802 288 T HA 0.115 6.431 4.350 3.277 0.000 0.305 288 T C 1.971 176.729 174.700 0.097 0.000 1.053 288 T CA -0.610 61.562 62.100 0.120 0.000 1.058 288 T CB 0.461 69.412 68.868 0.139 0.000 0.988 288 T HN 0.436 nan 8.240 nan 0.000 0.539 289 L N 0.220 121.543 121.223 0.165 0.000 2.021 289 L HA -0.183 6.123 4.340 3.277 0.000 0.215 289 L C 3.014 179.926 176.870 0.071 0.000 1.074 289 L CA 2.330 57.232 54.840 0.104 0.000 0.760 289 L CB -0.853 41.268 42.059 0.103 0.000 0.889 289 L HN 0.913 nan 8.230 nan 0.000 0.433 290 E N 0.505 120.750 120.200 0.075 0.000 2.097 290 E HA -0.269 6.048 4.350 3.277 0.000 0.196 290 E C 1.966 178.596 176.600 0.050 0.000 1.000 290 E CA 1.715 58.151 56.400 0.060 0.000 0.804 290 E CB 0.043 29.781 29.700 0.064 0.000 0.740 290 E HN 0.528 nan 8.360 nan 0.000 0.454 291 E N -0.261 119.969 120.200 0.049 0.000 2.274 291 E HA -0.153 6.163 4.350 3.277 0.000 0.194 291 E C 1.994 178.614 176.600 0.032 0.000 0.996 291 E CA 0.666 57.089 56.400 0.039 0.000 0.840 291 E CB 0.088 29.810 29.700 0.037 0.000 0.772 291 E HN 0.370 nan 8.360 nan 0.000 0.491 292 Q N -0.642 119.176 119.800 0.031 0.000 2.424 292 Q HA 0.063 6.369 4.340 3.277 0.000 0.204 292 Q C 0.907 176.924 176.000 0.029 0.000 0.933 292 Q CA 0.466 56.285 55.803 0.027 0.000 0.929 292 Q CB 0.763 29.513 28.738 0.020 0.000 1.037 292 Q HN 0.355 nan 8.270 nan 0.000 0.511 293 G N 0.819 109.639 108.800 0.032 0.000 2.160 293 G HA2 -0.251 5.675 3.960 3.277 0.000 0.244 293 G HA3 -0.251 5.675 3.960 3.277 0.000 0.244 293 G C -0.155 174.764 174.900 0.031 0.000 1.022 293 G CA 0.026 45.144 45.100 0.031 0.000 0.741 293 G HN 0.192 nan 8.290 nan 0.000 0.508 294 L N 0.000 121.245 121.223 0.037 0.000 2.949 294 L HA 0.000 6.306 4.340 3.277 0.000 0.249 294 L CA 0.000 54.862 54.840 0.037 0.000 0.813 294 L CB 0.000 42.082 42.059 0.038 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502