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 2w55_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK QSQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.496 174.600 -0.174 0.000 1.055 2 S CA 0.000 58.121 58.200 -0.131 0.000 1.107 2 S CB 0.000 63.128 63.200 -0.119 0.000 0.593 3 V N 3.267 123.009 119.914 -0.286 0.000 2.529 3 V HA 0.456 4.615 4.120 0.066 0.000 0.292 3 V C 1.511 177.448 176.094 -0.262 0.000 1.028 3 V CA 1.598 63.680 62.300 -0.363 0.000 1.074 3 V CB 0.083 31.423 31.823 -0.804 0.000 0.958 3 V HN 1.055 nan 8.190 nan 0.000 0.481 4 G N 3.850 112.549 108.800 -0.169 0.000 2.175 4 G HA2 -0.191 3.808 3.960 0.066 0.000 0.244 4 G HA3 -0.191 3.808 3.960 0.066 0.000 0.244 4 G C 0.248 175.100 174.900 -0.079 0.000 0.982 4 G CA -0.166 44.869 45.100 -0.109 0.000 0.641 4 G HN 0.551 nan 8.290 nan 0.000 0.527 5 K N 0.600 120.950 120.400 -0.083 0.000 2.154 5 K HA 0.421 4.780 4.320 0.066 0.000 0.264 5 K C -2.401 174.173 176.600 -0.044 0.000 1.008 5 K CA -1.624 54.627 56.287 -0.059 0.000 0.937 5 K CB 1.587 34.051 32.500 -0.061 0.000 1.002 5 K HN -0.010 nan 8.250 nan 0.000 0.469 6 P HA 0.195 nan 4.420 nan 0.000 0.220 6 P C -0.311 176.982 177.300 -0.011 0.000 1.793 6 P CA -0.145 62.944 63.100 -0.017 0.000 0.917 6 P CB -0.052 31.640 31.700 -0.014 0.000 1.755 7 L N 1.816 123.029 121.223 -0.017 0.000 2.467 7 L HA 0.240 4.620 4.340 0.066 0.000 0.270 7 L C -1.378 175.495 176.870 0.006 0.000 1.205 7 L CA -1.618 53.214 54.840 -0.012 0.000 0.828 7 L CB -0.184 41.859 42.059 -0.027 0.000 1.101 7 L HN 0.067 nan 8.230 nan 0.000 0.479 8 P HA 0.054 nan 4.420 nan 0.000 0.277 8 P C -1.046 176.295 177.300 0.068 0.000 1.271 8 P CA -0.425 62.705 63.100 0.051 0.000 0.795 8 P CB 0.400 32.127 31.700 0.045 0.000 1.101 9 H N -0.153 118.935 119.070 0.030 0.000 2.897 9 H HA -0.037 4.558 4.556 0.064 0.000 0.347 9 H C 1.403 176.738 175.328 0.011 0.000 1.068 9 H CA 0.939 57.013 56.048 0.044 0.000 1.426 9 H CB 0.123 29.945 29.762 0.101 0.000 1.410 9 H HN 0.513 nan 8.280 nan 0.000 0.597 10 D N 2.436 122.485 120.400 -0.584 0.000 2.968 10 D HA -0.316 4.364 4.640 0.066 0.000 0.215 10 D C 0.296 176.529 176.300 -0.111 0.000 1.086 10 D CA 2.822 56.622 54.000 -0.334 0.000 0.891 10 D CB -0.460 40.116 40.800 -0.374 0.000 1.019 10 D HN 0.472 nan 8.370 nan 0.000 0.494 11 S N -1.588 114.113 115.700 0.002 0.000 2.272 11 S HA 0.772 5.282 4.470 0.066 0.000 0.207 11 S C 0.828 175.153 174.600 -0.459 0.000 1.336 11 S CA -0.181 57.916 58.200 -0.172 0.000 1.259 11 S CB 0.899 63.989 63.200 -0.183 0.000 1.130 11 S HN 0.530 nan 8.310 nan 0.000 0.444 12 A N 2.340 125.089 122.820 -0.118 0.000 1.930 12 A HA -0.041 4.319 4.320 0.066 0.000 0.217 12 A C 2.196 179.754 177.584 -0.045 0.000 1.175 12 A CA 1.184 53.197 52.037 -0.040 0.000 0.627 12 A CB -0.403 18.654 19.000 0.096 0.000 0.815 12 A HN 0.569 nan 8.150 nan 0.000 0.443 13 R N -0.502 119.969 120.500 -0.048 0.000 2.075 13 R HA -0.038 4.341 4.340 0.066 0.000 0.232 13 R C 2.318 178.609 176.300 -0.015 0.000 1.126 13 R CA 1.239 57.331 56.100 -0.013 0.000 0.963 13 R CB -0.349 29.945 30.300 -0.011 0.000 0.858 13 R HN 0.437 nan 8.270 nan 0.000 0.435 14 A N 0.242 123.019 122.820 -0.071 0.000 1.902 14 A HA -0.193 4.167 4.320 0.066 0.000 0.217 14 A C 1.741 179.367 177.584 0.069 0.000 1.181 14 A CA 1.609 53.627 52.037 -0.032 0.000 0.623 14 A CB -0.838 18.120 19.000 -0.071 0.000 0.818 14 A HN 0.569 nan 8.150 nan 0.000 0.443 15 H N -1.814 117.298 119.070 0.070 0.000 2.319 15 H HA -0.091 4.504 4.556 0.064 0.000 0.299 15 H C 2.028 177.402 175.328 0.077 0.000 1.092 15 H CA 1.095 57.196 56.048 0.088 0.000 1.302 15 H CB -0.076 29.730 29.762 0.072 0.000 1.373 15 H HN 0.290 nan 8.280 nan 0.000 0.497 16 V N 1.151 121.179 119.914 0.190 0.000 2.913 16 V HA -0.127 4.033 4.120 0.066 0.000 0.260 16 V C 1.654 177.802 176.094 0.091 0.000 1.098 16 V CA 2.036 64.410 62.300 0.123 0.000 1.121 16 V CB -0.231 31.648 31.823 0.093 0.000 0.714 16 V HN 0.657 nan 8.190 nan 0.000 0.487 17 T N -4.176 110.430 114.554 0.086 0.000 3.200 17 T HA 0.389 4.779 4.350 0.066 0.000 0.284 17 T C 1.366 176.108 174.700 0.071 0.000 1.009 17 T CA 0.513 62.651 62.100 0.064 0.000 0.907 17 T CB 0.584 69.479 68.868 0.044 0.000 1.120 17 T HN 0.801 nan 8.240 nan 0.000 0.534 18 G N 2.069 110.930 108.800 0.100 0.000 2.196 18 G HA2 -0.367 3.632 3.960 0.066 0.000 0.268 18 G HA3 -0.367 3.632 3.960 0.066 0.000 0.268 18 G C 1.067 176.025 174.900 0.096 0.000 0.975 18 G CA 0.757 45.922 45.100 0.109 0.000 0.648 18 G HN 0.547 nan 8.290 nan 0.000 0.538 19 Q N 0.031 119.876 119.800 0.074 0.000 2.096 19 Q HA 0.075 4.454 4.340 0.066 0.000 0.204 19 Q C 1.985 178.007 176.000 0.038 0.000 0.982 19 Q CA 1.174 57.004 55.803 0.045 0.000 0.850 19 Q CB -0.339 28.414 28.738 0.025 0.000 0.901 19 Q HN 1.133 nan 8.270 nan 0.000 0.422 20 A N 2.501 125.358 122.820 0.062 0.000 2.548 20 A HA 0.109 4.468 4.320 0.066 0.000 0.247 20 A C -0.152 177.393 177.584 -0.064 0.000 1.067 20 A CA 0.047 52.084 52.037 0.001 0.000 0.757 20 A CB -0.136 18.949 19.000 0.142 0.000 0.996 20 A HN 0.304 nan 8.150 nan 0.000 0.504 21 R N 2.247 122.630 120.500 -0.195 0.000 2.439 21 R HA 0.636 5.016 4.340 0.066 0.000 0.310 21 R C -1.614 174.535 176.300 -0.251 0.000 0.955 21 R CA -0.591 55.440 56.100 -0.115 0.000 0.853 21 R CB 0.768 31.041 30.300 -0.045 0.000 1.171 21 R HN 0.560 nan 8.270 nan 0.000 0.449 22 Y N 1.408 121.722 120.300 0.022 0.000 2.519 22 Y HA 0.212 4.804 4.550 0.069 0.000 0.324 22 Y C 1.676 177.575 175.900 -0.002 0.000 1.214 22 Y CA -1.166 56.942 58.100 0.013 0.000 1.260 22 Y CB 0.751 39.217 38.460 0.010 0.000 1.311 22 Y HN 0.521 nan 8.280 nan 0.000 0.505 23 L N 0.759 122.074 121.223 0.153 0.000 2.054 23 L HA -0.327 4.053 4.340 0.066 0.000 0.220 23 L C 1.703 178.610 176.870 0.061 0.000 1.081 23 L CA 2.457 57.340 54.840 0.072 0.000 0.780 23 L CB -0.341 41.756 42.059 0.063 0.000 0.893 23 L HN 0.811 nan 8.230 nan 0.000 0.438 24 D N -1.097 119.354 120.400 0.086 0.000 2.224 24 D HA -0.149 4.530 4.640 0.066 0.000 0.205 24 D C 1.626 177.966 176.300 0.068 0.000 0.965 24 D CA 0.990 55.034 54.000 0.074 0.000 0.852 24 D CB -0.053 40.785 40.800 0.062 0.000 0.947 24 D HN 0.493 nan 8.370 nan 0.000 0.494 25 D N -0.281 120.169 120.400 0.084 0.000 2.224 25 D HA -0.029 4.650 4.640 0.066 0.000 0.205 25 D C 0.603 176.921 176.300 0.030 0.000 0.965 25 D CA 0.139 54.181 54.000 0.070 0.000 0.852 25 D CB -0.126 40.739 40.800 0.109 0.000 0.947 25 D HN 0.293 nan 8.370 nan 0.000 0.494 26 L N 3.025 124.250 121.223 0.005 0.000 2.525 26 L HA 0.093 4.473 4.340 0.066 0.000 0.278 26 L C -1.772 175.083 176.870 -0.025 0.000 1.218 26 L CA -1.191 53.624 54.840 -0.041 0.000 0.878 26 L CB -0.369 41.623 42.059 -0.112 0.000 1.127 26 L HN -0.084 nan 8.230 nan 0.000 0.492 27 P HA 0.227 nan 4.420 nan 0.000 0.274 27 P C -1.032 176.256 177.300 -0.019 0.000 1.231 27 P CA -0.500 62.593 63.100 -0.011 0.000 0.790 27 P CB 1.130 32.823 31.700 -0.011 0.000 0.951 28 C N -0.070 119.231 119.300 0.000 0.000 3.284 28 C HA 0.611 5.111 4.460 0.066 0.000 0.338 28 C C -2.881 172.113 174.990 0.006 0.000 1.237 28 C CA -2.134 56.882 59.018 -0.003 0.000 1.276 28 C CB 0.281 28.017 27.740 -0.007 0.000 1.601 28 C HN 0.367 nan 8.230 nan 0.000 0.494 29 P HA 0.332 nan 4.420 nan 0.000 0.268 29 P C 1.002 178.307 177.300 0.008 0.000 1.208 29 P CA 0.634 63.737 63.100 0.005 0.000 0.777 29 P CB 0.458 32.160 31.700 0.003 0.000 0.875 30 A N 3.188 126.016 122.820 0.013 0.000 1.944 30 A HA -0.328 4.032 4.320 0.066 0.000 0.222 30 A C 1.852 179.447 177.584 0.018 0.000 1.237 30 A CA 2.534 54.583 52.037 0.020 0.000 0.668 30 A CB -1.545 17.466 19.000 0.018 0.000 0.830 30 A HN 0.784 nan 8.150 nan 0.000 0.471 31 N N 0.097 118.800 118.700 0.006 0.000 2.289 31 N HA -0.072 4.707 4.740 0.066 0.000 0.184 31 N C 0.209 175.701 175.510 -0.029 0.000 1.016 31 N CA 1.186 54.235 53.050 -0.002 0.000 0.872 31 N CB -1.742 36.743 38.487 -0.002 0.000 0.973 31 N HN 0.371 nan 8.380 nan 0.000 0.433 32 T N 2.437 116.960 114.554 -0.052 0.000 2.718 32 T HA 0.002 4.391 4.350 0.066 0.000 0.265 32 T C 0.608 175.135 174.700 -0.287 0.000 1.014 32 T CA 0.323 62.339 62.100 -0.139 0.000 1.172 32 T CB 0.143 68.931 68.868 -0.134 0.000 1.007 32 T HN 0.135 nan 8.240 nan 0.000 0.500 33 L N 3.618 124.670 121.223 -0.286 0.000 2.387 33 L HA 0.502 4.881 4.340 0.066 0.000 0.266 33 L C 0.638 177.205 176.870 -0.505 0.000 1.059 33 L CA -1.067 53.601 54.840 -0.287 0.000 0.801 33 L CB 0.808 42.818 42.059 -0.081 0.000 1.223 33 L HN 0.632 nan 8.230 nan 0.000 0.456 34 H N 2.076 121.153 119.070 0.013 0.000 2.589 34 H HA 0.515 5.111 4.556 0.067 0.000 0.351 34 H C -0.943 174.352 175.328 -0.055 0.000 1.074 34 H CA -0.565 55.474 56.048 -0.014 0.000 1.203 34 H CB 1.830 31.597 29.762 0.008 0.000 1.558 34 H HN 0.318 nan 8.280 nan 0.000 0.522 35 L N 1.498 122.722 121.223 0.002 0.000 2.334 35 L HA 0.847 5.227 4.340 0.066 0.000 0.272 35 L C 0.187 176.963 176.870 -0.157 0.000 1.020 35 L CA -1.066 53.733 54.840 -0.067 0.000 0.812 35 L CB 1.680 43.675 42.059 -0.106 0.000 1.264 35 L HN 0.571 nan 8.230 nan 0.000 0.439 36 A N 1.224 123.954 122.820 -0.151 0.000 2.520 36 A HA 0.728 5.088 4.320 0.066 0.000 0.298 36 A C -1.173 176.322 177.584 -0.149 0.000 1.051 36 A CA -0.476 51.464 52.037 -0.162 0.000 0.690 36 A CB 0.955 19.893 19.000 -0.105 0.000 1.281 36 A HN 0.516 nan 8.150 nan 0.000 0.402 37 F N 0.910 120.851 119.950 -0.015 0.000 2.410 37 F HA 0.474 5.042 4.527 0.069 0.000 0.334 37 F C 1.426 176.991 175.800 -0.391 0.000 1.134 37 F CA 0.411 58.324 58.000 -0.146 0.000 1.227 37 F CB 1.377 40.328 39.000 -0.082 0.000 1.194 37 F HN 0.648 nan 8.300 nan 0.000 0.571 38 G N 3.758 112.141 108.800 -0.694 0.000 2.347 38 G HA2 0.564 4.564 3.960 0.066 0.000 0.314 38 G HA3 0.564 4.564 3.960 0.066 0.000 0.314 38 G C -0.742 173.778 174.900 -0.632 0.000 1.126 38 G CA -0.589 43.817 45.100 -1.157 0.000 0.929 38 G HN 0.471 nan 8.290 nan 0.000 0.441 39 L N 1.559 122.585 121.223 -0.329 0.000 2.469 39 L HA 0.540 4.920 4.340 0.066 0.000 0.253 39 L C 1.222 177.982 176.870 -0.183 0.000 1.143 39 L CA -0.877 53.799 54.840 -0.273 0.000 0.804 39 L CB 1.342 43.239 42.059 -0.270 0.000 1.214 39 L HN 0.594 nan 8.230 nan 0.000 0.476 40 S N -1.413 114.144 115.700 -0.238 0.000 2.632 40 S HA 0.274 4.784 4.470 0.066 0.000 0.271 40 S C 0.505 174.974 174.600 -0.218 0.000 1.260 40 S CA 0.005 58.122 58.200 -0.139 0.000 1.010 40 S CB 1.433 64.484 63.200 -0.249 0.000 0.965 40 S HN 0.736 nan 8.310 nan 0.000 0.534 41 T N -1.313 113.100 114.554 -0.235 0.000 3.044 41 T HA 0.341 4.731 4.350 0.066 0.000 0.260 41 T C -0.162 174.285 174.700 -0.422 0.000 1.019 41 T CA -0.369 61.570 62.100 -0.269 0.000 0.921 41 T CB -0.051 68.739 68.868 -0.129 0.000 1.053 41 T HN 0.544 nan 8.240 nan 0.000 0.533 42 E N 1.040 120.849 120.200 -0.651 0.000 2.166 42 E HA 0.654 5.044 4.350 0.066 0.000 0.275 42 E C 0.759 177.136 176.600 -0.371 0.000 0.941 42 E CA -0.367 55.678 56.400 -0.592 0.000 0.784 42 E CB 1.825 30.976 29.700 -0.915 0.000 1.115 42 E HN 0.228 nan 8.360 nan 0.000 0.399 43 A N 2.708 125.384 122.820 -0.240 0.000 1.930 43 A HA -0.049 4.310 4.320 0.066 0.000 0.217 43 A C 1.024 178.545 177.584 -0.105 0.000 1.175 43 A CA 1.087 53.044 52.037 -0.135 0.000 0.627 43 A CB 0.313 19.263 19.000 -0.084 0.000 0.815 43 A HN 0.341 nan 8.150 nan 0.000 0.443 44 S N -1.957 113.664 115.700 -0.131 0.000 2.616 44 S HA 0.595 5.104 4.470 0.066 0.000 0.276 44 S C -0.873 173.654 174.600 -0.122 0.000 1.159 44 S CA 0.193 58.326 58.200 -0.113 0.000 1.000 44 S CB 0.675 63.855 63.200 -0.035 0.000 1.117 44 S HN 1.549 nan 8.310 nan 0.000 0.464 45 A N 2.849 125.587 122.820 -0.137 0.000 2.601 45 A HA 0.913 5.273 4.320 0.066 0.000 0.291 45 A C -0.954 176.618 177.584 -0.021 0.000 1.075 45 A CA -0.238 51.764 52.037 -0.058 0.000 0.671 45 A CB 0.862 19.833 19.000 -0.048 0.000 1.277 45 A HN 1.592 nan 8.150 nan 0.000 0.417 46 A N 0.653 123.492 122.820 0.031 0.000 2.292 46 A HA 0.670 5.030 4.320 0.066 0.000 0.319 46 A C -0.309 177.319 177.584 0.072 0.000 1.206 46 A CA -0.413 51.645 52.037 0.034 0.000 0.835 46 A CB -0.107 18.907 19.000 0.022 0.000 1.164 46 A HN 0.772 nan 8.150 nan 0.000 0.505 47 I N 3.274 123.873 120.570 0.047 0.000 2.389 47 I HA 0.046 4.256 4.170 0.066 0.000 0.295 47 I C 1.345 177.435 176.117 -0.045 0.000 1.117 47 I CA 0.212 61.494 61.300 -0.031 0.000 1.317 47 I CB 0.559 38.527 38.000 -0.054 0.000 1.431 47 I HN 0.818 nan 8.210 nan 0.000 0.521 48 T N 1.110 115.630 114.554 -0.058 0.000 3.107 48 T HA 0.321 4.710 4.350 0.066 0.000 0.249 48 T C 0.669 175.333 174.700 -0.060 0.000 1.096 48 T CA -0.128 61.948 62.100 -0.040 0.000 1.012 48 T CB 0.255 69.113 68.868 -0.017 0.000 0.977 48 T HN 0.690 nan 8.240 nan 0.000 0.527 49 G N 0.626 109.365 108.800 -0.102 0.000 2.752 49 G HA2 0.528 4.528 3.960 0.066 0.000 0.298 49 G HA3 0.528 4.528 3.960 0.066 0.000 0.298 49 G C -2.164 172.657 174.900 -0.131 0.000 1.434 49 G CA -0.766 44.275 45.100 -0.099 0.000 1.004 49 G HN 0.199 nan 8.290 nan 0.000 0.560 50 L N 2.181 123.342 121.223 -0.103 0.000 2.481 50 L HA 0.470 4.850 4.340 0.066 0.000 0.255 50 L C -0.908 175.891 176.870 -0.118 0.000 1.192 50 L CA -0.840 53.934 54.840 -0.111 0.000 0.924 50 L CB 1.449 43.460 42.059 -0.080 0.000 1.179 50 L HN 0.540 nan 8.230 nan 0.000 0.491 51 D N 3.739 124.065 120.400 -0.123 0.000 2.352 51 D HA 0.215 4.895 4.640 0.066 0.000 0.245 51 D C 0.066 176.258 176.300 -0.180 0.000 1.224 51 D CA 0.154 54.080 54.000 -0.124 0.000 0.879 51 D CB 0.616 41.360 40.800 -0.094 0.000 1.057 51 D HN 0.497 nan 8.370 nan 0.000 0.491 52 L N 3.617 124.711 121.223 -0.214 0.000 3.108 52 L HA 0.245 4.625 4.340 0.066 0.000 0.251 52 L C 1.135 177.877 176.870 -0.214 0.000 1.315 52 L CA -0.210 54.445 54.840 -0.310 0.000 1.048 52 L CB 0.435 42.246 42.059 -0.413 0.000 1.432 52 L HN 0.287 nan 8.230 nan 0.000 0.543 53 E N 1.229 121.339 120.200 -0.151 0.000 2.099 53 E HA 0.023 4.413 4.350 0.066 0.000 0.191 53 E C -0.842 175.701 176.600 -0.094 0.000 0.962 53 E CA 0.518 56.852 56.400 -0.110 0.000 0.826 53 E CB -0.278 29.372 29.700 -0.082 0.000 0.788 53 E HN 0.188 nan 8.360 nan 0.000 0.461 54 P HA -0.112 nan 4.420 nan 0.000 0.225 54 P C 0.958 178.221 177.300 -0.062 0.000 1.148 54 P CA 0.833 63.898 63.100 -0.060 0.000 0.779 54 P CB 0.175 31.847 31.700 -0.047 0.000 0.780 55 V N -0.296 119.555 119.914 -0.105 0.000 2.346 55 V HA -0.146 4.013 4.120 0.066 0.000 0.244 55 V C 2.488 178.529 176.094 -0.088 0.000 1.037 55 V CA 1.540 63.777 62.300 -0.105 0.000 1.029 55 V CB -0.876 30.806 31.823 -0.236 0.000 0.663 55 V HN 0.044 nan 8.190 nan 0.000 0.454 56 R N 0.061 120.493 120.500 -0.113 0.000 2.081 56 R HA -0.167 4.213 4.340 0.066 0.000 0.235 56 R C 2.318 178.580 176.300 -0.063 0.000 1.131 56 R CA 1.722 57.764 56.100 -0.097 0.000 0.960 56 R CB -0.227 30.008 30.300 -0.108 0.000 0.856 56 R HN 0.624 nan 8.270 nan 0.000 0.436 57 E N 0.488 120.655 120.200 -0.055 0.000 2.107 57 E HA -0.057 4.333 4.350 0.066 0.000 0.191 57 E C 0.634 177.220 176.600 -0.024 0.000 0.982 57 E CA 0.230 56.608 56.400 -0.037 0.000 0.809 57 E CB -0.009 29.671 29.700 -0.034 0.000 0.756 57 E HN 0.024 nan 8.360 nan 0.000 0.459 58 S N 2.381 118.068 115.700 -0.021 0.000 2.702 58 S HA -0.041 4.468 4.470 0.066 0.000 0.314 58 S C -2.198 172.401 174.600 -0.002 0.000 1.244 58 S CA -1.237 56.959 58.200 -0.006 0.000 1.058 58 S CB 0.280 63.481 63.200 0.002 0.000 0.783 58 S HN -0.065 nan 8.310 nan 0.000 0.503 59 P HA 0.216 nan 4.420 nan 0.000 0.266 59 P C 1.040 178.348 177.300 0.014 0.000 1.195 59 P CA 0.901 64.005 63.100 0.006 0.000 0.768 59 P CB 0.339 32.044 31.700 0.009 0.000 0.838 60 G N 1.059 109.867 108.800 0.014 0.000 2.254 60 G HA2 -0.216 3.784 3.960 0.066 0.000 0.225 60 G HA3 -0.216 3.784 3.960 0.066 0.000 0.225 60 G C 0.009 174.920 174.900 0.020 0.000 1.003 60 G CA -0.068 45.046 45.100 0.024 0.000 0.622 60 G HN 0.556 nan 8.290 nan 0.000 0.507 61 V N 2.460 122.378 119.914 0.006 0.000 2.585 61 V HA 0.316 4.476 4.120 0.066 0.000 0.296 61 V C 1.513 177.593 176.094 -0.022 0.000 1.035 61 V CA 0.457 62.752 62.300 -0.009 0.000 1.084 61 V CB 1.372 33.180 31.823 -0.025 0.000 0.953 61 V HN 0.265 nan 8.190 nan 0.000 0.483 62 I N 2.959 123.512 120.570 -0.028 0.000 3.718 62 I HA 0.421 4.630 4.170 0.066 0.000 0.297 62 I C 0.786 176.854 176.117 -0.081 0.000 1.220 62 I CA 0.744 62.024 61.300 -0.033 0.000 1.381 62 I CB 0.342 38.340 38.000 -0.004 0.000 1.238 62 I HN 0.691 nan 8.210 nan 0.000 0.448 63 A N 0.379 123.117 122.820 -0.136 0.000 2.594 63 A HA 0.725 5.085 4.320 0.066 0.000 0.295 63 A C -1.394 175.934 177.584 -0.427 0.000 1.071 63 A CA -0.360 51.473 52.037 -0.339 0.000 0.685 63 A CB 1.853 20.601 19.000 -0.419 0.000 1.285 63 A HN -0.186 nan 8.150 nan 0.000 0.405 64 V N 1.103 120.665 119.914 -0.586 0.000 2.656 64 V HA 0.639 4.799 4.120 0.066 0.000 0.307 64 V C -1.270 174.493 176.094 -0.553 0.000 1.051 64 V CA -0.318 61.742 62.300 -0.400 0.000 0.893 64 V CB 1.537 33.217 31.823 -0.239 0.000 0.999 64 V HN 0.734 nan 8.190 nan 0.000 0.426 65 F N 1.558 121.583 119.950 0.126 0.000 2.507 65 F HA 0.649 5.216 4.527 0.066 0.000 0.325 65 F C 0.610 176.516 175.800 0.178 0.000 1.116 65 F CA -0.487 57.589 58.000 0.127 0.000 0.930 65 F CB 2.413 41.486 39.000 0.121 0.000 1.146 65 F HN 0.413 nan 8.300 nan 0.000 0.447 66 T N 0.943 115.689 114.554 0.320 0.000 2.952 66 T HA 0.437 4.827 4.350 0.066 0.000 0.286 66 T C 1.042 175.868 174.700 0.209 0.000 1.024 66 T CA -0.356 61.886 62.100 0.236 0.000 1.029 66 T CB 1.853 70.803 68.868 0.137 0.000 1.094 66 T HN 0.667 nan 8.240 nan 0.000 0.515 67 A N 0.714 123.635 122.820 0.167 0.000 2.070 67 A HA 0.129 4.489 4.320 0.066 0.000 0.220 67 A C 2.292 179.937 177.584 0.101 0.000 1.159 67 A CA 1.570 53.685 52.037 0.130 0.000 0.656 67 A CB -1.040 18.031 19.000 0.118 0.000 0.800 67 A HN 0.919 nan 8.150 nan 0.000 0.453 68 A N -0.775 122.103 122.820 0.096 0.000 2.168 68 A HA -0.044 4.315 4.320 0.066 0.000 0.215 68 A C 1.531 179.161 177.584 0.078 0.000 1.152 68 A CA 1.323 53.403 52.037 0.071 0.000 0.716 68 A CB -0.224 18.810 19.000 0.057 0.000 0.794 68 A HN 0.457 nan 8.150 nan 0.000 0.465 69 D N -0.395 120.078 120.400 0.121 0.000 2.346 69 D HA 0.108 4.788 4.640 0.066 0.000 0.206 69 D C 0.368 176.725 176.300 0.095 0.000 1.001 69 D CA 0.157 54.249 54.000 0.154 0.000 0.871 69 D CB 0.054 41.049 40.800 0.325 0.000 0.943 69 D HN 0.353 nan 8.370 nan 0.000 0.518 70 L N 3.268 124.529 121.223 0.064 0.000 2.477 70 L HA 0.060 4.439 4.340 0.066 0.000 0.272 70 L C -0.732 176.121 176.870 -0.029 0.000 1.157 70 L CA -1.006 53.844 54.840 0.016 0.000 0.889 70 L CB 0.553 42.636 42.059 0.039 0.000 1.158 70 L HN -0.121 nan 8.230 nan 0.000 0.473 71 P HA -0.099 nan 4.420 nan 0.000 0.217 71 P C 0.234 177.217 177.300 -0.529 0.000 1.150 71 P CA 1.560 64.493 63.100 -0.279 0.000 0.832 71 P CB 0.407 31.985 31.700 -0.203 0.000 0.787 72 H N -1.900 117.187 119.070 0.027 0.000 4.584 72 H HA 0.275 4.871 4.556 0.066 0.000 0.369 72 H C -0.378 174.982 175.328 0.054 0.000 1.248 72 H CA -0.740 55.332 56.048 0.039 0.000 0.619 72 H CB -0.825 28.959 29.762 0.036 0.000 1.195 72 H HN -0.247 nan 8.280 nan 0.000 0.659 73 D N 1.504 122.048 120.400 0.240 0.000 2.426 73 D HA 0.006 4.686 4.640 0.066 0.000 0.261 73 D C -0.234 176.130 176.300 0.106 0.000 1.245 73 D CA 0.287 54.381 54.000 0.157 0.000 0.917 73 D CB -0.052 40.856 40.800 0.180 0.000 1.123 73 D HN 0.282 nan 8.370 nan 0.000 0.508 74 N N 2.987 121.737 118.700 0.083 0.000 3.298 74 N HA 0.070 4.849 4.740 0.066 0.000 0.292 74 N C -1.541 173.999 175.510 0.050 0.000 1.271 74 N CA -0.323 52.766 53.050 0.065 0.000 1.184 74 N CB -0.015 38.519 38.487 0.078 0.000 1.452 74 N HN 0.201 nan 8.380 nan 0.000 0.534 75 D N 0.319 120.733 120.400 0.024 0.000 2.738 75 D HA 0.363 5.043 4.640 0.066 0.000 0.218 75 D C -0.509 175.768 176.300 -0.038 0.000 1.345 75 D CA -0.429 53.571 54.000 0.000 0.000 0.943 75 D CB 1.556 42.360 40.800 0.008 0.000 1.514 75 D HN 0.223 nan 8.370 nan 0.000 0.585 76 A N 2.536 125.309 122.820 -0.078 0.000 2.192 76 A HA 0.209 4.569 4.320 0.066 0.000 0.208 76 A C 1.044 178.608 177.584 -0.034 0.000 1.220 76 A CA 0.100 52.080 52.037 -0.096 0.000 0.900 76 A CB 0.197 19.018 19.000 -0.299 0.000 0.937 76 A HN 0.408 nan 8.150 nan 0.000 0.487 77 S N 1.525 117.210 115.700 -0.026 0.000 2.573 77 S HA 0.115 4.625 4.470 0.066 0.000 0.297 77 S C -0.811 173.739 174.600 -0.082 0.000 1.280 77 S CA -0.484 57.688 58.200 -0.046 0.000 1.061 77 S CB 0.739 63.878 63.200 -0.101 0.000 0.812 77 S HN 0.338 nan 8.310 nan 0.000 0.500 78 P HA 0.014 nan 4.420 nan 0.000 0.217 78 P C 0.411 177.657 177.300 -0.089 0.000 1.150 78 P CA 0.741 63.793 63.100 -0.080 0.000 0.832 78 P CB -0.197 31.493 31.700 -0.016 0.000 0.787 79 A N 1.522 124.288 122.820 -0.090 0.000 2.386 79 A HA 0.230 4.589 4.320 0.066 0.000 0.246 79 A C -0.940 176.591 177.584 -0.088 0.000 1.089 79 A CA -0.835 51.148 52.037 -0.090 0.000 0.790 79 A CB -0.764 18.158 19.000 -0.130 0.000 1.042 79 A HN 0.085 nan 8.150 nan 0.000 0.497 80 P HA -0.040 nan 4.420 nan 0.000 0.230 80 P C 0.632 177.901 177.300 -0.052 0.000 1.158 80 P CA 0.885 63.952 63.100 -0.054 0.000 0.769 80 P CB -0.096 31.584 31.700 -0.033 0.000 0.807 81 S N 1.184 116.845 115.700 -0.066 0.000 2.564 81 S HA 0.292 4.802 4.470 0.066 0.000 0.278 81 S C -2.419 172.136 174.600 -0.075 0.000 1.333 81 S CA -1.216 56.946 58.200 -0.063 0.000 1.048 81 S CB -0.134 63.017 63.200 -0.082 0.000 0.900 81 S HN -0.099 nan 8.310 nan 0.000 0.505 82 P HA 0.304 nan 4.420 nan 0.000 0.276 82 P C -1.112 176.145 177.300 -0.072 0.000 1.230 82 P CA -0.190 62.887 63.100 -0.039 0.000 0.776 82 P CB 0.472 32.173 31.700 0.002 0.000 0.888 83 E N 3.850 124.018 120.200 -0.054 0.000 2.283 83 E HA 0.349 4.739 4.350 0.066 0.000 0.258 83 E C -2.791 173.877 176.600 0.113 0.000 0.893 83 E CA -2.628 53.745 56.400 -0.044 0.000 0.798 83 E CB 1.530 31.130 29.700 -0.168 0.000 1.242 83 E HN 0.195 nan 8.360 nan 0.000 0.414 84 P HA 0.034 nan 4.420 nan 0.000 0.275 84 P C 0.714 178.116 177.300 0.170 0.000 1.228 84 P CA -0.371 62.844 63.100 0.190 0.000 0.786 84 P CB 1.299 33.139 31.700 0.232 0.000 0.927 85 V N 2.188 122.098 119.914 -0.006 0.000 2.379 85 V HA -0.067 4.092 4.120 0.066 0.000 0.245 85 V C 1.078 177.190 176.094 0.030 0.000 1.044 85 V CA 1.394 63.623 62.300 -0.119 0.000 1.036 85 V CB -0.813 30.946 31.823 -0.107 0.000 0.664 85 V HN 0.393 nan 8.190 nan 0.000 0.453 86 L N 0.630 121.906 121.223 0.090 0.000 2.333 86 L HA 0.713 5.092 4.340 0.066 0.000 0.280 86 L C 0.243 177.182 176.870 0.114 0.000 1.004 86 L CA -0.798 54.105 54.840 0.104 0.000 0.820 86 L CB 1.520 43.683 42.059 0.174 0.000 1.247 86 L HN 0.156 nan 8.230 nan 0.000 0.416 87 A N 1.669 124.540 122.820 0.084 0.000 2.587 87 A HA 0.237 4.597 4.320 0.066 0.000 0.235 87 A C 0.684 178.338 177.584 0.117 0.000 1.044 87 A CA 0.284 52.380 52.037 0.099 0.000 0.754 87 A CB -0.217 18.804 19.000 0.035 0.000 0.968 87 A HN 0.750 nan 8.150 nan 0.000 0.509 88 T N 0.442 115.082 114.554 0.143 0.000 3.375 88 T HA 0.544 4.934 4.350 0.066 0.000 0.363 88 T C 1.086 175.851 174.700 0.108 0.000 1.837 88 T CA 0.344 62.518 62.100 0.124 0.000 1.445 88 T CB 0.072 69.022 68.868 0.135 0.000 1.089 88 T HN 2.348 nan 8.240 nan 0.000 0.722 89 G N 1.672 110.519 108.800 0.078 0.000 2.317 89 G HA2 -0.206 3.793 3.960 0.066 0.000 0.227 89 G HA3 -0.206 3.793 3.960 0.066 0.000 0.227 89 G C -0.116 174.806 174.900 0.037 0.000 1.042 89 G CA 0.122 45.255 45.100 0.055 0.000 0.623 89 G HN 0.970 nan 8.290 nan 0.000 0.509 90 E N -0.285 119.932 120.200 0.028 0.000 2.410 90 E HA 0.698 5.087 4.350 0.066 0.000 0.269 90 E C -0.492 176.015 176.600 -0.155 0.000 0.937 90 E CA -0.588 55.771 56.400 -0.068 0.000 0.793 90 E CB 2.496 32.115 29.700 -0.134 0.000 1.314 90 E HN 1.034 nan 8.360 nan 0.000 0.447 91 V N -1.419 118.337 119.914 -0.264 0.000 2.680 91 V HA 0.444 4.603 4.120 0.066 0.000 0.309 91 V C -0.094 175.715 176.094 -0.474 0.000 1.052 91 V CA -0.653 61.461 62.300 -0.310 0.000 0.908 91 V CB 1.546 33.249 31.823 -0.201 0.000 1.001 91 V HN 0.839 nan 8.190 nan 0.000 0.431 92 H N 3.420 122.386 119.070 -0.173 0.000 2.986 92 H HA 0.398 4.994 4.556 0.066 0.000 0.267 92 H C -0.198 175.144 175.328 0.022 0.000 1.072 92 H CA 0.828 56.867 56.048 -0.015 0.000 1.202 92 H CB 1.247 31.157 29.762 0.247 0.000 1.535 92 H HN 0.801 nan 8.280 nan 0.000 0.522 93 F N -1.778 117.973 119.950 -0.333 0.000 2.703 93 F HA 0.427 4.993 4.527 0.065 0.000 0.308 93 F C -1.456 174.191 175.800 -0.255 0.000 1.126 93 F CA -1.410 56.433 58.000 -0.262 0.000 0.959 93 F CB 0.840 39.685 39.000 -0.258 0.000 1.297 93 F HN -0.365 nan 8.300 nan 0.000 0.441 94 V N 3.184 122.935 119.914 -0.270 0.000 2.409 94 V HA 0.436 4.596 4.120 0.066 0.000 0.270 94 V C 0.927 176.679 176.094 -0.570 0.000 1.019 94 V CA 1.252 63.336 62.300 -0.360 0.000 1.066 94 V CB -0.270 31.471 31.823 -0.137 0.000 1.021 94 V HN 1.513 nan 8.190 nan 0.000 0.476 95 G N 3.511 111.831 108.800 -0.800 0.000 2.164 95 G HA2 -0.159 3.841 3.960 0.066 0.000 0.154 95 G HA3 -0.159 3.841 3.960 0.066 0.000 0.154 95 G C 0.061 174.313 174.900 -1.079 0.000 1.014 95 G CA -0.102 44.546 45.100 -0.754 0.000 0.683 95 G HN 0.635 nan 8.290 nan 0.000 0.500 96 Q N 1.118 120.092 119.800 -1.376 0.000 2.295 96 Q HA 0.392 4.771 4.340 0.066 0.000 0.259 96 Q C -2.399 173.298 176.000 -0.504 0.000 0.976 96 Q CA -1.840 53.398 55.803 -0.943 0.000 0.923 96 Q CB 1.062 29.271 28.738 -0.881 0.000 1.185 96 Q HN 0.129 nan 8.270 nan 0.000 0.410 97 P HA -0.039 nan 4.420 nan 0.000 0.262 97 P C -0.232 176.938 177.300 -0.217 0.000 1.199 97 P CA 0.672 63.518 63.100 -0.423 0.000 0.763 97 P CB 0.508 31.646 31.700 -0.937 0.000 0.790 98 I N 3.292 123.767 120.570 -0.159 0.000 2.729 98 I HA 0.052 4.262 4.170 0.066 0.000 0.256 98 I C 0.985 177.206 176.117 0.172 0.000 1.115 98 I CA 0.806 62.114 61.300 0.013 0.000 1.446 98 I CB -0.014 38.034 38.000 0.079 0.000 1.176 98 I HN 0.278 nan 8.210 nan 0.000 0.446 99 F N -0.199 119.835 119.950 0.139 0.000 2.782 99 F HA 0.794 5.360 4.527 0.065 0.000 0.366 99 F C -1.062 174.930 175.800 0.319 0.000 1.171 99 F CA -1.495 56.620 58.000 0.192 0.000 1.064 99 F CB 1.095 40.163 39.000 0.112 0.000 1.449 99 F HN -0.282 nan 8.300 nan 0.000 0.520 100 L N 1.468 123.048 121.223 0.596 0.000 2.505 100 L HA 0.720 5.100 4.340 0.066 0.000 0.266 100 L C -1.807 175.297 176.870 0.390 0.000 0.954 100 L CA -0.535 54.553 54.840 0.413 0.000 0.852 100 L CB 2.125 44.422 42.059 0.398 0.000 1.282 100 L HN 0.602 nan 8.230 nan 0.000 0.403 101 V N 3.712 123.777 119.914 0.251 0.000 2.398 101 V HA 0.855 5.015 4.120 0.066 0.000 0.286 101 V C 0.329 176.479 176.094 0.094 0.000 1.026 101 V CA -0.310 62.087 62.300 0.162 0.000 0.868 101 V CB 1.291 33.215 31.823 0.168 0.000 0.982 101 V HN 0.918 nan 8.190 nan 0.000 0.443 102 A N 3.992 126.855 122.820 0.073 0.000 2.273 102 A HA 0.895 5.255 4.320 0.066 0.000 0.320 102 A C 0.188 177.794 177.584 0.038 0.000 1.358 102 A CA -0.052 52.029 52.037 0.074 0.000 0.910 102 A CB 0.595 19.680 19.000 0.141 0.000 1.159 102 A HN 1.269 nan 8.150 nan 0.000 0.526 103 A N 1.536 124.387 122.820 0.052 0.000 2.347 103 A HA 0.751 5.110 4.320 0.066 0.000 0.301 103 A C 1.207 178.847 177.584 0.094 0.000 1.163 103 A CA 0.257 52.329 52.037 0.058 0.000 0.860 103 A CB 0.312 19.347 19.000 0.057 0.000 1.367 103 A HN 1.268 nan 8.150 nan 0.000 0.461 104 T N -1.718 112.892 114.554 0.094 0.000 3.088 104 T HA 0.249 4.639 4.350 0.066 0.000 0.259 104 T C 0.622 175.455 174.700 0.220 0.000 1.122 104 T CA 0.922 63.095 62.100 0.123 0.000 1.095 104 T CB -0.706 68.207 68.868 0.075 0.000 0.930 104 T HN 1.379 nan 8.240 nan 0.000 0.508 105 S N -0.775 115.042 115.700 0.195 0.000 2.618 105 S HA 0.409 4.918 4.470 0.066 0.000 0.277 105 S C 0.420 175.058 174.600 0.065 0.000 1.138 105 S CA -0.856 57.413 58.200 0.114 0.000 0.844 105 S CB 1.469 64.699 63.200 0.050 0.000 1.127 105 S HN 0.152 nan 8.310 nan 0.000 0.474 106 H N 1.458 120.402 119.070 -0.210 0.000 2.353 106 H HA 0.029 4.624 4.556 0.064 0.000 0.300 106 H C 1.739 177.054 175.328 -0.022 0.000 1.090 106 H CA 1.917 57.896 56.048 -0.115 0.000 1.327 106 H CB 0.003 29.652 29.762 -0.189 0.000 1.383 106 H HN 0.609 nan 8.280 nan 0.000 0.508 107 R N 0.202 120.817 120.500 0.192 0.000 2.075 107 R HA -0.037 4.342 4.340 0.066 0.000 0.232 107 R C 2.573 178.920 176.300 0.078 0.000 1.126 107 R CA 0.891 57.081 56.100 0.149 0.000 0.963 107 R CB -0.507 29.846 30.300 0.089 0.000 0.858 107 R HN 0.312 nan 8.270 nan 0.000 0.435 108 A N 1.601 124.457 122.820 0.060 0.000 1.917 108 A HA -0.181 4.178 4.320 0.066 0.000 0.219 108 A C 2.406 180.013 177.584 0.040 0.000 1.182 108 A CA 1.991 54.056 52.037 0.047 0.000 0.633 108 A CB -0.547 18.482 19.000 0.049 0.000 0.819 108 A HN 0.409 nan 8.150 nan 0.000 0.448 109 A N -1.048 121.786 122.820 0.025 0.000 1.872 109 A HA -0.079 4.281 4.320 0.066 0.000 0.214 109 A C 2.264 179.853 177.584 0.008 0.000 1.187 109 A CA 1.283 53.325 52.037 0.009 0.000 0.614 109 A CB -0.444 18.536 19.000 -0.034 0.000 0.826 109 A HN 0.370 nan 8.150 nan 0.000 0.442 110 R N -0.256 120.232 120.500 -0.020 0.000 2.083 110 R HA -0.086 4.294 4.340 0.066 0.000 0.237 110 R C 2.011 178.340 176.300 0.048 0.000 1.137 110 R CA 1.656 57.765 56.100 0.015 0.000 0.951 110 R CB -0.792 29.547 30.300 0.065 0.000 0.851 110 R HN 0.652 nan 8.270 nan 0.000 0.434 111 I N 0.298 120.900 120.570 0.054 0.000 2.226 111 I HA -0.236 3.973 4.170 0.066 0.000 0.245 111 I C 2.425 178.578 176.117 0.061 0.000 1.100 111 I CA 1.337 62.668 61.300 0.053 0.000 1.374 111 I CB -0.351 37.676 38.000 0.046 0.000 1.057 111 I HN 0.103 nan 8.210 nan 0.000 0.413 112 A N 0.549 123.407 122.820 0.065 0.000 2.015 112 A HA -0.032 4.328 4.320 0.066 0.000 0.219 112 A C 2.502 180.176 177.584 0.150 0.000 1.163 112 A CA 1.404 53.487 52.037 0.077 0.000 0.646 112 A CB -0.622 18.413 19.000 0.059 0.000 0.806 112 A HN 0.417 nan 8.150 nan 0.000 0.448 113 A N 0.212 123.139 122.820 0.178 0.000 1.972 113 A HA -0.160 4.200 4.320 0.066 0.000 0.219 113 A C 2.197 179.945 177.584 0.273 0.000 1.169 113 A CA 1.471 53.675 52.037 0.278 0.000 0.635 113 A CB -0.395 18.658 19.000 0.088 0.000 0.810 113 A HN 0.566 nan 8.150 nan 0.000 0.446 114 R N -0.190 120.398 120.500 0.147 0.000 2.148 114 R HA 0.004 4.384 4.340 0.066 0.000 0.223 114 R C 1.247 177.613 176.300 0.111 0.000 1.088 114 R CA 1.081 57.247 56.100 0.110 0.000 0.985 114 R CB -0.147 30.191 30.300 0.064 0.000 0.880 114 R HN 0.422 nan 8.270 nan 0.000 0.451 115 K N 0.986 121.445 120.400 0.099 0.000 2.569 115 K HA 0.124 4.484 4.320 0.066 0.000 0.193 115 K C 0.215 176.828 176.600 0.021 0.000 1.026 115 K CA -0.067 56.248 56.287 0.047 0.000 1.093 115 K CB 0.384 32.896 32.500 0.021 0.000 0.849 115 K HN 0.087 nan 8.250 nan 0.000 0.509 116 A N 1.788 124.650 122.820 0.071 0.000 2.425 116 A HA 0.167 4.526 4.320 0.066 0.000 0.249 116 A C -0.170 177.415 177.584 0.000 0.000 1.084 116 A CA -0.203 51.833 52.037 -0.001 0.000 0.781 116 A CB 0.236 19.331 19.000 0.158 0.000 1.019 116 A HN 0.266 nan 8.150 nan 0.000 0.490 117 R N 2.195 122.661 120.500 -0.056 0.000 2.346 117 R HA 0.402 4.782 4.340 0.066 0.000 0.309 117 R C -1.197 175.048 176.300 -0.092 0.000 1.119 117 R CA -0.020 56.048 56.100 -0.053 0.000 1.112 117 R CB 0.295 30.563 30.300 -0.053 0.000 1.132 117 R HN 0.718 nan 8.270 nan 0.000 0.538 118 I N 2.370 122.871 120.570 -0.114 0.000 2.339 118 I HA 0.236 4.446 4.170 0.066 0.000 0.290 118 I C 0.432 176.335 176.117 -0.357 0.000 0.994 118 I CA -0.708 60.430 61.300 -0.270 0.000 1.191 118 I CB 1.953 39.735 38.000 -0.362 0.000 1.343 118 I HN 0.383 nan 8.210 nan 0.000 0.458 119 T N 2.408 116.768 114.554 -0.324 0.000 2.771 119 T HA 0.576 4.966 4.350 0.066 0.000 0.281 119 T C -0.646 173.880 174.700 -0.290 0.000 0.982 119 T CA -0.619 61.345 62.100 -0.226 0.000 0.978 119 T CB 0.554 69.367 68.868 -0.093 0.000 0.930 119 T HN 0.250 nan 8.240 nan 0.000 0.447 120 Y N 1.183 121.471 120.300 -0.020 0.000 2.453 120 Y HA 0.607 5.196 4.550 0.066 0.000 0.326 120 Y C 0.579 176.465 175.900 -0.024 0.000 1.186 120 Y CA -1.433 56.650 58.100 -0.028 0.000 1.200 120 Y CB 1.380 39.815 38.460 -0.042 0.000 1.247 120 Y HN 0.904 nan 8.280 nan 0.000 0.482 121 A N 3.401 126.304 122.820 0.139 0.000 2.394 121 A HA 0.570 4.929 4.320 0.066 0.000 0.333 121 A C -2.812 174.807 177.584 0.059 0.000 1.397 121 A CA -1.838 50.244 52.037 0.076 0.000 0.884 121 A CB -0.329 18.696 19.000 0.042 0.000 1.147 121 A HN 0.414 nan 8.150 nan 0.000 0.505 122 P HA 0.368 nan 4.420 nan 0.000 0.271 122 P C -0.255 177.041 177.300 -0.007 0.000 1.218 122 P CA 0.052 63.149 63.100 -0.004 0.000 0.780 122 P CB 0.650 32.339 31.700 -0.019 0.000 0.901 123 R N 2.231 122.718 120.500 -0.022 0.000 2.892 123 R HA 0.580 4.960 4.340 0.066 0.000 0.265 123 R C -2.308 173.982 176.300 -0.017 0.000 1.025 123 R CA -2.102 53.991 56.100 -0.013 0.000 0.982 123 R CB 0.160 30.455 30.300 -0.008 0.000 1.185 123 R HN 0.358 nan 8.270 nan 0.000 0.484 124 P HA 0.095 nan 4.420 nan 0.000 0.268 124 P C -1.068 176.226 177.300 -0.010 0.000 1.204 124 P CA -0.121 62.974 63.100 -0.008 0.000 0.768 124 P CB 0.989 32.687 31.700 -0.003 0.000 0.842 125 A N 3.314 126.125 122.820 -0.015 0.000 2.282 125 A HA 0.596 4.956 4.320 0.066 0.000 0.319 125 A C -0.104 177.470 177.584 -0.016 0.000 1.121 125 A CA -0.706 51.322 52.037 -0.014 0.000 0.836 125 A CB 0.248 19.232 19.000 -0.027 0.000 1.146 125 A HN 0.464 nan 8.150 nan 0.000 0.494 126 I N 2.006 122.566 120.570 -0.016 0.000 2.412 126 I HA 0.215 4.425 4.170 0.066 0.000 0.279 126 I C 0.539 176.621 176.117 -0.058 0.000 1.063 126 I CA 0.382 61.662 61.300 -0.033 0.000 1.193 126 I CB 0.653 38.633 38.000 -0.034 0.000 1.370 126 I HN 0.629 nan 8.210 nan 0.000 0.479 127 L N 1.756 122.936 121.223 -0.072 0.000 2.269 127 L HA 0.181 4.561 4.340 0.066 0.000 0.200 127 L C 1.291 178.068 176.870 -0.154 0.000 1.069 127 L CA 0.581 55.344 54.840 -0.128 0.000 0.804 127 L CB -0.146 41.849 42.059 -0.106 0.000 0.987 127 L HN 0.474 nan 8.230 nan 0.000 0.468 128 T N -0.638 113.858 114.554 -0.096 0.000 2.909 128 T HA 0.231 4.620 4.350 0.066 0.000 0.286 128 T C 1.054 175.707 174.700 -0.079 0.000 1.002 128 T CA -0.604 61.446 62.100 -0.084 0.000 1.074 128 T CB 1.130 69.974 68.868 -0.040 0.000 0.984 128 T HN -0.064 nan 8.240 nan 0.000 0.495 129 L N 3.331 124.508 121.223 -0.076 0.000 2.030 129 L HA -0.177 4.203 4.340 0.066 0.000 0.222 129 L C 2.410 179.238 176.870 -0.069 0.000 1.082 129 L CA 2.057 56.853 54.840 -0.072 0.000 0.785 129 L CB -0.747 41.277 42.059 -0.059 0.000 0.895 129 L HN 0.771 nan 8.230 nan 0.000 0.439 130 D N -1.359 119.009 120.400 -0.053 0.000 2.092 130 D HA -0.222 4.458 4.640 0.066 0.000 0.193 130 D C 2.136 178.404 176.300 -0.053 0.000 0.994 130 D CA 1.409 55.379 54.000 -0.050 0.000 0.828 130 D CB 0.003 40.784 40.800 -0.032 0.000 0.963 130 D HN 0.501 nan 8.370 nan 0.000 0.450 131 Q N 0.493 120.265 119.800 -0.047 0.000 2.014 131 Q HA -0.171 4.209 4.340 0.066 0.000 0.207 131 Q C 2.292 178.258 176.000 -0.056 0.000 0.993 131 Q CA 1.819 57.594 55.803 -0.045 0.000 0.850 131 Q CB -0.208 28.505 28.738 -0.041 0.000 0.916 131 Q HN 0.225 nan 8.270 nan 0.000 0.417 132 A N 0.526 123.305 122.820 -0.068 0.000 1.883 132 A HA -0.215 4.145 4.320 0.066 0.000 0.217 132 A C 2.034 179.567 177.584 -0.084 0.000 1.186 132 A CA 1.487 53.476 52.037 -0.079 0.000 0.624 132 A CB -0.749 18.199 19.000 -0.087 0.000 0.822 132 A HN 0.363 nan 8.150 nan 0.000 0.444 133 L N -0.372 120.796 121.223 -0.091 0.000 1.988 133 L HA 0.015 4.395 4.340 0.066 0.000 0.207 133 L C 2.504 179.318 176.870 -0.092 0.000 1.071 133 L CA 2.363 57.135 54.840 -0.114 0.000 0.744 133 L CB -0.715 41.256 42.059 -0.146 0.000 0.893 133 L HN 0.299 nan 8.230 nan 0.000 0.433 134 A N -1.407 121.368 122.820 -0.074 0.000 2.235 134 A HA 0.385 4.745 4.320 0.066 0.000 0.208 134 A C 1.891 179.448 177.584 -0.045 0.000 1.172 134 A CA 0.884 52.887 52.037 -0.056 0.000 0.786 134 A CB -0.786 18.187 19.000 -0.046 0.000 0.804 134 A HN 0.518 nan 8.150 nan 0.000 0.479 135 A N -1.345 121.445 122.820 -0.050 0.000 2.431 135 A HA 0.405 4.764 4.320 0.066 0.000 0.239 135 A C 0.675 178.230 177.584 -0.048 0.000 1.230 135 A CA 0.808 52.819 52.037 -0.043 0.000 0.928 135 A CB 0.014 18.989 19.000 -0.041 0.000 1.006 135 A HN 0.406 nan 8.150 nan 0.000 0.520 136 D N -0.457 119.909 120.400 -0.056 0.000 2.772 136 D HA -0.158 4.521 4.640 0.066 0.000 0.233 136 D C -0.012 176.241 176.300 -0.078 0.000 1.143 136 D CA 1.079 55.044 54.000 -0.058 0.000 0.700 136 D CB -1.479 39.297 40.800 -0.040 0.000 1.076 136 D HN 0.280 nan 8.370 nan 0.000 0.430 137 S N -0.037 115.604 115.700 -0.098 0.000 2.400 137 S HA 0.595 5.104 4.470 0.066 0.000 0.295 137 S C 0.164 174.645 174.600 -0.199 0.000 1.113 137 S CA -0.190 57.922 58.200 -0.147 0.000 1.064 137 S CB 0.239 63.362 63.200 -0.127 0.000 0.990 137 S HN 0.474 nan 8.310 nan 0.000 0.502 138 R N 2.767 123.105 120.500 -0.270 0.000 2.781 138 R HA 0.641 5.020 4.340 0.066 0.000 0.268 138 R C -1.577 174.459 176.300 -0.441 0.000 1.047 138 R CA -0.958 54.976 56.100 -0.276 0.000 0.925 138 R CB 0.543 30.793 30.300 -0.084 0.000 1.246 138 R HN 0.382 nan 8.270 nan 0.000 0.456 139 F N 0.237 120.169 119.950 -0.030 0.000 2.541 139 F HA 0.378 4.946 4.527 0.067 0.000 0.331 139 F C 0.647 176.429 175.800 -0.030 0.000 1.057 139 F CA -0.252 57.726 58.000 -0.038 0.000 0.975 139 F CB 1.872 40.841 39.000 -0.051 0.000 1.246 139 F HN 0.893 nan 8.300 nan 0.000 0.484 140 E N -0.046 120.277 120.200 0.204 0.000 3.991 140 E HA -0.212 4.177 4.350 0.066 0.000 0.331 140 E C 0.454 177.087 176.600 0.055 0.000 0.628 140 E CA 0.874 57.332 56.400 0.096 0.000 1.192 140 E CB -1.420 28.321 29.700 0.068 0.000 1.683 140 E HN 1.181 nan 8.360 nan 0.000 0.416 141 G N 0.289 109.114 108.800 0.042 0.000 3.277 141 G HA2 0.290 4.290 3.960 0.066 0.000 0.684 141 G HA3 0.290 4.290 3.960 0.066 0.000 0.684 141 G C 0.420 175.333 174.900 0.022 0.000 0.923 141 G CA 0.350 45.461 45.100 0.018 0.000 0.779 141 G HN 1.286 nan 8.290 nan 0.000 0.508 142 G N 3.140 111.954 108.800 0.023 0.000 2.825 142 G HA2 0.231 4.231 3.960 0.066 0.000 0.684 142 G HA3 0.231 4.231 3.960 0.066 0.000 0.684 142 G C -1.250 173.665 174.900 0.025 0.000 1.528 142 G CA 0.216 45.336 45.100 0.032 0.000 0.963 142 G HN 1.385 nan 8.290 nan 0.000 0.577 143 P HA 0.472 nan 4.420 nan 0.000 0.274 143 P C 0.033 177.255 177.300 -0.129 0.000 1.256 143 P CA -0.435 62.593 63.100 -0.120 0.000 0.795 143 P CB 0.872 32.362 31.700 -0.350 0.000 1.038 144 V N 1.794 121.587 119.914 -0.201 0.000 2.439 144 V HA 0.325 4.485 4.120 0.066 0.000 0.282 144 V C 0.520 176.463 176.094 -0.252 0.000 1.039 144 V CA -0.272 61.910 62.300 -0.195 0.000 0.913 144 V CB 0.650 32.317 31.823 -0.259 0.000 0.983 144 V HN 0.321 nan 8.190 nan 0.000 0.460 145 I N 4.253 124.755 120.570 -0.113 0.000 2.447 145 I HA 0.440 4.650 4.170 0.066 0.000 0.287 145 I C -1.076 175.180 176.117 0.232 0.000 1.023 145 I CA -0.207 61.078 61.300 -0.025 0.000 1.083 145 I CB 1.742 39.755 38.000 0.022 0.000 1.245 145 I HN 0.493 nan 8.210 nan 0.000 0.434 146 W N 5.010 126.355 121.300 0.074 0.000 2.606 146 W HA 0.826 5.526 4.660 0.066 0.000 0.332 146 W C -0.269 176.321 176.519 0.118 0.000 1.052 146 W CA -1.601 55.816 57.345 0.121 0.000 1.223 146 W CB 1.845 31.423 29.460 0.196 0.000 1.383 146 W HN 0.430 nan 8.180 nan 0.000 0.524 147 A N 3.242 126.262 122.820 0.332 0.000 2.437 147 A HA 0.701 5.061 4.320 0.066 0.000 0.293 147 A C -1.141 176.545 177.584 0.171 0.000 1.038 147 A CA -0.905 51.261 52.037 0.215 0.000 0.708 147 A CB 1.608 20.697 19.000 0.149 0.000 1.251 147 A HN 0.608 nan 8.150 nan 0.000 0.409 148 R N 2.308 122.903 120.500 0.159 0.000 2.360 148 R HA 0.545 4.924 4.340 0.066 0.000 0.318 148 R C 0.663 177.009 176.300 0.075 0.000 0.950 148 R CA 0.870 57.040 56.100 0.116 0.000 0.837 148 R CB 1.072 31.454 30.300 0.137 0.000 1.165 148 R HN 2.195 nan 8.270 nan 0.000 0.458 149 G N 3.027 111.863 108.800 0.060 0.000 2.692 149 G HA2 -0.301 3.699 3.960 0.066 0.000 0.248 149 G HA3 -0.301 3.699 3.960 0.066 0.000 0.248 149 G C -0.917 174.007 174.900 0.040 0.000 1.340 149 G CA -0.050 45.075 45.100 0.043 0.000 0.896 149 G HN 0.652 nan 8.290 nan 0.000 0.570 150 D N -0.289 120.128 120.400 0.028 0.000 2.359 150 D HA 0.511 5.191 4.640 0.066 0.000 0.230 150 D C 1.612 177.920 176.300 0.013 0.000 1.118 150 D CA 0.058 54.072 54.000 0.023 0.000 0.844 150 D CB 1.254 42.065 40.800 0.019 0.000 1.059 150 D HN 0.328 nan 8.370 nan 0.000 0.493 151 V N 4.246 124.168 119.914 0.014 0.000 2.323 151 V HA -0.149 4.011 4.120 0.066 0.000 0.244 151 V C 2.243 178.332 176.094 -0.009 0.000 1.041 151 V CA 1.089 63.388 62.300 -0.001 0.000 1.025 151 V CB -0.404 31.420 31.823 0.002 0.000 0.656 151 V HN 0.531 nan 8.190 nan 0.000 0.451 152 E N 0.673 120.872 120.200 -0.002 0.000 2.035 152 E HA -0.261 4.129 4.350 0.066 0.000 0.204 152 E C 2.283 178.878 176.600 -0.009 0.000 1.025 152 E CA 2.283 58.679 56.400 -0.006 0.000 0.835 152 E CB -1.039 28.661 29.700 0.001 0.000 0.764 152 E HN 0.581 nan 8.360 nan 0.000 0.457 153 T N 1.724 116.277 114.554 -0.003 0.000 2.592 153 T HA -0.268 4.122 4.350 0.066 0.000 0.267 153 T C 1.917 176.611 174.700 -0.009 0.000 1.060 153 T CA 2.393 64.491 62.100 -0.004 0.000 1.167 153 T CB -0.506 68.364 68.868 0.002 0.000 0.863 153 T HN 0.400 nan 8.240 nan 0.000 0.431 154 A N 1.064 123.877 122.820 -0.011 0.000 1.859 154 A HA -0.085 4.274 4.320 0.066 0.000 0.217 154 A C 2.376 179.946 177.584 -0.024 0.000 1.198 154 A CA 1.753 53.780 52.037 -0.017 0.000 0.629 154 A CB -1.051 17.936 19.000 -0.021 0.000 0.830 154 A HN 0.498 nan 8.150 nan 0.000 0.446 155 L N -0.807 120.398 121.223 -0.029 0.000 1.989 155 L HA -0.224 4.155 4.340 0.066 0.000 0.211 155 L C 3.133 179.983 176.870 -0.034 0.000 1.071 155 L CA 1.247 56.066 54.840 -0.036 0.000 0.749 155 L CB -0.783 41.252 42.059 -0.041 0.000 0.890 155 L HN 0.453 nan 8.230 nan 0.000 0.431 156 A N 0.162 122.965 122.820 -0.028 0.000 1.940 156 A HA -0.228 4.132 4.320 0.066 0.000 0.221 156 A C 2.117 179.683 177.584 -0.031 0.000 1.190 156 A CA 2.237 54.257 52.037 -0.027 0.000 0.647 156 A CB -1.131 17.857 19.000 -0.020 0.000 0.821 156 A HN 0.528 nan 8.150 nan 0.000 0.457 157 G N -1.888 106.895 108.800 -0.028 0.000 3.324 157 G HA2 0.465 4.464 3.960 0.066 0.000 0.251 157 G HA3 0.465 4.464 3.960 0.066 0.000 0.251 157 G C 0.418 175.297 174.900 -0.034 0.000 1.072 157 G CA 0.572 45.654 45.100 -0.030 0.000 0.787 157 G HN 0.795 nan 8.290 nan 0.000 0.537 158 A N 0.576 123.374 122.820 -0.036 0.000 2.488 158 A HA 0.577 4.937 4.320 0.066 0.000 0.249 158 A C 1.710 179.259 177.584 -0.058 0.000 1.083 158 A CA 0.493 52.510 52.037 -0.033 0.000 0.768 158 A CB 0.637 19.620 19.000 -0.028 0.000 1.017 158 A HN 0.776 nan 8.150 nan 0.000 0.496 159 A N 2.306 125.094 122.820 -0.053 0.000 2.121 159 A HA 0.113 4.473 4.320 0.066 0.000 0.218 159 A C 0.676 178.053 177.584 -0.345 0.000 1.154 159 A CA 1.424 53.377 52.037 -0.140 0.000 0.679 159 A CB -0.350 18.613 19.000 -0.063 0.000 0.795 159 A HN 0.917 nan 8.150 nan 0.000 0.458 160 H N -2.178 116.853 119.070 -0.064 0.000 2.947 160 H HA 0.605 5.200 4.556 0.066 0.000 0.354 160 H C -0.823 174.450 175.328 -0.092 0.000 1.085 160 H CA -0.491 55.508 56.048 -0.082 0.000 1.253 160 H CB 1.707 31.416 29.762 -0.088 0.000 1.757 160 H HN 0.364 nan 8.280 nan 0.000 0.523 161 L N 0.844 122.067 121.223 -0.000 0.000 2.424 161 L HA 1.039 5.419 4.340 0.066 0.000 0.258 161 L C -1.575 175.232 176.870 -0.105 0.000 0.995 161 L CA -0.948 53.863 54.840 -0.049 0.000 0.821 161 L CB 2.331 44.355 42.059 -0.059 0.000 1.383 161 L HN 0.679 nan 8.230 nan 0.000 0.410 162 A N 1.800 124.550 122.820 -0.117 0.000 2.442 162 A HA 0.683 5.043 4.320 0.066 0.000 0.284 162 A C -1.051 176.504 177.584 -0.047 0.000 1.058 162 A CA -0.425 51.492 52.037 -0.200 0.000 0.738 162 A CB 1.216 19.956 19.000 -0.432 0.000 1.242 162 A HN 0.831 nan 8.150 nan 0.000 0.421 163 E N 0.684 120.831 120.200 -0.088 0.000 2.242 163 E HA 0.690 5.079 4.350 0.066 0.000 0.275 163 E C 0.355 176.760 176.600 -0.326 0.000 1.002 163 E CA -0.160 56.123 56.400 -0.196 0.000 0.841 163 E CB 2.117 31.732 29.700 -0.142 0.000 1.109 163 E HN 0.945 nan 8.360 nan 0.000 0.394 164 G N 0.147 108.443 108.800 -0.841 0.000 2.559 164 G HA2 0.466 4.466 3.960 0.066 0.000 0.291 164 G HA3 0.466 4.466 3.960 0.066 0.000 0.291 164 G C -1.769 172.777 174.900 -0.589 0.000 1.424 164 G CA -0.437 44.138 45.100 -0.876 0.000 0.786 164 G HN 0.607 nan 8.290 nan 0.000 0.485 165 C N 0.858 120.140 119.300 -0.030 0.000 2.968 165 C HA 0.699 5.199 4.460 0.066 0.000 0.389 165 C C -1.400 173.830 174.990 0.400 0.000 1.068 165 C CA -1.246 57.894 59.018 0.204 0.000 1.272 165 C CB -1.089 26.703 27.740 0.087 0.000 1.711 165 C HN 1.087 nan 8.230 nan 0.000 0.501 166 F N 4.183 124.288 119.950 0.258 0.000 2.556 166 F HA 0.766 5.332 4.527 0.066 0.000 0.314 166 F C -0.186 175.717 175.800 0.172 0.000 1.106 166 F CA -0.544 57.590 58.000 0.224 0.000 0.911 166 F CB 1.100 40.270 39.000 0.283 0.000 1.190 166 F HN 0.344 nan 8.300 nan 0.000 0.448 167 E N 4.520 124.679 120.200 -0.068 0.000 2.354 167 E HA 0.361 4.751 4.350 0.066 0.000 0.269 167 E C -0.670 175.741 176.600 -0.314 0.000 1.036 167 E CA -0.198 56.106 56.400 -0.159 0.000 0.876 167 E CB 2.318 32.009 29.700 -0.015 0.000 1.009 167 E HN 0.684 nan 8.360 nan 0.000 0.416 168 I N 1.445 121.859 120.570 -0.261 0.000 2.418 168 I HA 0.242 4.452 4.170 0.066 0.000 0.287 168 I C 0.754 176.858 176.117 -0.021 0.000 1.008 168 I CA -0.657 60.500 61.300 -0.239 0.000 1.104 168 I CB 1.929 39.785 38.000 -0.241 0.000 1.264 168 I HN 0.422 nan 8.210 nan 0.000 0.438 169 G N 3.756 112.514 108.800 -0.070 0.000 2.606 169 G HA2 0.451 4.450 3.960 0.066 0.000 0.252 169 G HA3 0.451 4.450 3.960 0.066 0.000 0.252 169 G C 0.439 175.523 174.900 0.306 0.000 1.206 169 G CA -0.132 45.019 45.100 0.084 0.000 0.861 169 G HN 0.724 nan 8.290 nan 0.000 0.561 170 G N -1.464 107.529 108.800 0.321 0.000 2.516 170 G HA2 0.491 4.491 3.960 0.066 0.000 0.276 170 G HA3 0.491 4.491 3.960 0.066 0.000 0.276 170 G C -0.286 174.845 174.900 0.384 0.000 1.390 170 G CA -0.255 45.053 45.100 0.347 0.000 1.050 170 G HN 0.702 nan 8.290 nan 0.000 0.519 171 Q N -1.135 118.818 119.800 0.255 0.000 2.364 171 Q HA 0.285 4.664 4.340 0.066 0.000 0.257 171 Q C -1.644 174.517 176.000 0.269 0.000 0.956 171 Q CA -0.658 55.307 55.803 0.270 0.000 0.924 171 Q CB 2.135 30.813 28.738 -0.100 0.000 1.413 171 Q HN 0.577 nan 8.270 nan 0.000 0.418 172 E N 1.497 121.772 120.200 0.125 0.000 2.283 172 E HA 0.156 4.546 4.350 0.066 0.000 0.278 172 E C -0.208 176.440 176.600 0.080 0.000 1.027 172 E CA 0.387 56.694 56.400 -0.154 0.000 0.843 172 E CB 0.769 29.964 29.700 -0.841 0.000 1.062 172 E HN 0.663 nan 8.360 nan 0.000 0.401 173 H N 3.896 122.864 119.070 -0.170 0.000 2.293 173 H HA -0.006 4.590 4.556 0.068 0.000 0.300 173 H C 0.054 175.290 175.328 -0.154 0.000 1.082 173 H CA 1.904 57.706 56.048 -0.411 0.000 1.308 173 H CB -0.241 29.116 29.762 -0.675 0.000 1.375 173 H HN 0.704 nan 8.280 nan 0.000 0.495 174 F N -0.003 119.700 119.950 -0.412 0.000 3.039 174 F HA -0.257 4.310 4.527 0.067 0.000 0.287 174 F C -0.774 174.966 175.800 -0.101 0.000 0.956 174 F CA -0.472 57.380 58.000 -0.247 0.000 0.971 174 F CB -1.657 37.337 39.000 -0.010 0.000 0.943 174 F HN 0.162 nan 8.300 nan 0.000 0.766 175 Y N -0.361 120.112 120.300 0.288 0.000 2.526 175 Y HA 0.244 4.836 4.550 0.070 0.000 0.330 175 Y C 0.936 176.925 175.900 0.148 0.000 1.156 175 Y CA -1.378 56.914 58.100 0.320 0.000 1.419 175 Y CB 0.092 38.694 38.460 0.237 0.000 1.250 175 Y HN 0.075 nan 8.280 nan 0.000 0.540 176 L N 1.454 122.876 121.223 0.331 0.000 2.141 176 L HA -0.069 4.311 4.340 0.066 0.000 0.209 176 L C 1.166 178.088 176.870 0.087 0.000 1.094 176 L CA 1.303 56.250 54.840 0.179 0.000 0.763 176 L CB -0.709 41.427 42.059 0.128 0.000 0.908 176 L HN 0.844 nan 8.230 nan 0.000 0.437 177 E N 0.325 120.550 120.200 0.042 0.000 2.194 177 E HA 0.311 4.701 4.350 0.066 0.000 0.284 177 E C 0.263 176.882 176.600 0.030 0.000 1.035 177 E CA -0.204 56.170 56.400 -0.044 0.000 0.836 177 E CB 1.287 30.883 29.700 -0.173 0.000 1.070 177 E HN 0.194 nan 8.360 nan 0.000 0.401 178 G N 3.115 111.946 108.800 0.051 0.000 2.525 178 G HA2 -0.000 3.999 3.960 0.066 0.000 0.276 178 G HA3 -0.000 3.999 3.960 0.066 0.000 0.276 178 G C -0.105 174.727 174.900 -0.114 0.000 1.388 178 G CA -0.453 44.709 45.100 0.102 0.000 1.050 178 G HN 0.534 nan 8.290 nan 0.000 0.520 179 Q N -0.504 119.254 119.800 -0.071 0.000 2.332 179 Q HA 0.481 4.861 4.340 0.066 0.000 0.263 179 Q C -0.092 175.778 176.000 -0.217 0.000 0.979 179 Q CA 0.297 55.965 55.803 -0.224 0.000 0.885 179 Q CB 1.388 29.965 28.738 -0.269 0.000 1.218 179 Q HN 0.690 nan 8.270 nan 0.000 0.405 180 A N 1.190 123.896 122.820 -0.190 0.000 2.500 180 A HA 0.697 5.056 4.320 0.066 0.000 0.291 180 A C -1.494 176.044 177.584 -0.076 0.000 1.048 180 A CA -0.164 51.806 52.037 -0.111 0.000 0.791 180 A CB 1.176 20.152 19.000 -0.040 0.000 1.309 180 A HN 0.648 nan 8.150 nan 0.000 0.397 181 A N 1.305 124.086 122.820 -0.066 0.000 2.454 181 A HA 0.899 5.259 4.320 0.066 0.000 0.302 181 A C -1.386 176.199 177.584 0.002 0.000 1.079 181 A CA -0.546 51.475 52.037 -0.027 0.000 0.731 181 A CB 1.584 20.557 19.000 -0.045 0.000 1.299 181 A HN 2.091 nan 8.150 nan 0.000 0.413 182 L N 1.527 122.774 121.223 0.039 0.000 2.446 182 L HA 0.778 5.158 4.340 0.066 0.000 0.268 182 L C -0.172 176.738 176.870 0.066 0.000 0.975 182 L CA -0.105 54.766 54.840 0.052 0.000 0.848 182 L CB 1.264 43.366 42.059 0.071 0.000 1.225 182 L HN 1.044 nan 8.230 nan 0.000 0.410 183 A N 5.613 128.445 122.820 0.020 0.000 2.310 183 A HA 0.820 5.180 4.320 0.066 0.000 0.299 183 A C -1.008 176.588 177.584 0.020 0.000 1.147 183 A CA -0.392 51.648 52.037 0.006 0.000 0.818 183 A CB 0.601 19.588 19.000 -0.021 0.000 1.096 183 A HN 0.744 nan 8.150 nan 0.000 0.495 184 L N 3.836 125.071 121.223 0.020 0.000 2.404 184 L HA 0.414 4.794 4.340 0.066 0.000 0.272 184 L C -2.473 174.400 176.870 0.004 0.000 0.980 184 L CA -1.862 52.993 54.840 0.026 0.000 0.836 184 L CB 2.721 44.821 42.059 0.068 0.000 1.238 184 L HN 0.470 nan 8.230 nan 0.000 0.408 185 P HA 0.216 nan 4.420 nan 0.000 0.282 185 P C -0.762 176.538 177.300 -0.000 0.000 1.274 185 P CA -0.320 62.779 63.100 -0.002 0.000 0.770 185 P CB 1.465 33.165 31.700 0.000 0.000 0.867 186 A N 3.676 126.493 122.820 -0.005 0.000 3.047 186 A HA 0.356 4.715 4.320 0.066 0.000 0.337 186 A C 0.083 177.662 177.584 -0.008 0.000 1.143 186 A CA -0.653 51.381 52.037 -0.006 0.000 0.905 186 A CB -0.766 18.229 19.000 -0.010 0.000 1.088 186 A HN 0.662 nan 8.150 nan 0.000 0.488 187 E N -0.143 120.054 120.200 -0.005 0.000 1.357 187 E HA -0.089 4.300 4.350 0.066 0.000 0.313 187 E C 0.902 177.497 176.600 -0.009 0.000 1.457 187 E CA 0.796 57.193 56.400 -0.005 0.000 1.143 187 E CB -1.560 28.137 29.700 -0.006 0.000 0.669 187 E HN 1.933 nan 8.360 nan 0.000 0.334 188 G N 1.481 110.278 108.800 -0.005 0.000 2.611 188 G HA2 -0.133 3.866 3.960 0.066 0.000 0.208 188 G HA3 -0.133 3.866 3.960 0.066 0.000 0.208 188 G C 0.541 175.440 174.900 -0.001 0.000 1.201 188 G CA -0.132 44.965 45.100 -0.005 0.000 0.739 188 G HN 1.411 nan 8.290 nan 0.000 0.528 189 G N -0.943 107.854 108.800 -0.004 0.000 3.176 189 G HA2 0.860 4.860 3.960 0.066 0.000 0.272 189 G HA3 0.860 4.860 3.960 0.066 0.000 0.272 189 G C -0.572 174.322 174.900 -0.010 0.000 1.349 189 G CA 0.599 45.698 45.100 -0.002 0.000 0.953 189 G HN 1.656 nan 8.290 nan 0.000 0.559 190 V N -2.614 117.289 119.914 -0.017 0.000 2.864 190 V HA 0.834 4.994 4.120 0.066 0.000 0.314 190 V C -0.669 175.397 176.094 -0.047 0.000 1.073 190 V CA -1.056 61.227 62.300 -0.028 0.000 0.956 190 V CB 1.646 33.451 31.823 -0.031 0.000 1.023 190 V HN 0.560 nan 8.190 nan 0.000 0.435 191 V N 4.723 124.602 119.914 -0.059 0.000 2.357 191 V HA 0.471 4.630 4.120 0.066 0.000 0.284 191 V C -0.229 175.768 176.094 -0.162 0.000 1.018 191 V CA -0.398 61.832 62.300 -0.117 0.000 0.841 191 V CB 1.166 32.925 31.823 -0.107 0.000 0.991 191 V HN 0.701 nan 8.190 nan 0.000 0.437 192 I N 4.934 125.383 120.570 -0.203 0.000 2.331 192 I HA 0.443 4.653 4.170 0.066 0.000 0.292 192 I C 0.143 176.075 176.117 -0.309 0.000 0.998 192 I CA -0.194 61.003 61.300 -0.173 0.000 1.267 192 I CB 0.932 38.866 38.000 -0.109 0.000 1.386 192 I HN 0.555 nan 8.210 nan 0.000 0.476 193 H N 5.192 124.249 119.070 -0.021 0.000 2.492 193 H HA 0.640 5.191 4.556 -0.008 0.000 0.345 193 H C -0.292 175.023 175.328 -0.021 0.000 1.136 193 H CA -0.342 55.696 56.048 -0.017 0.000 1.202 193 H CB 2.540 32.296 29.762 -0.010 0.000 1.524 193 H HN 0.831 nan 8.280 nan 0.000 0.506 194 C N 0.219 119.573 119.300 0.091 0.000 3.306 194 C HA 0.416 4.916 4.460 0.066 0.000 0.335 194 C C 0.165 175.166 174.990 0.018 0.000 1.382 194 C CA -1.086 57.950 59.018 0.031 0.000 1.254 194 C CB 1.261 28.994 27.740 -0.011 0.000 1.555 194 C HN 0.717 nan 8.230 nan 0.000 0.463 195 S N 1.587 117.275 115.700 -0.019 0.000 3.170 195 S HA 0.639 5.148 4.470 0.066 0.000 0.257 195 S C -0.242 174.307 174.600 -0.084 0.000 1.284 195 S CA 0.306 58.483 58.200 -0.037 0.000 0.973 195 S CB -0.756 62.410 63.200 -0.057 0.000 1.330 195 S HN 1.567 nan 8.310 nan 0.000 0.493 196 S N 3.123 118.793 115.700 -0.050 0.000 2.536 196 S HA 0.338 4.847 4.470 0.066 0.000 0.271 196 S C 0.279 174.869 174.600 -0.017 0.000 1.134 196 S CA -0.711 57.459 58.200 -0.049 0.000 0.897 196 S CB 1.496 64.679 63.200 -0.028 0.000 1.094 196 S HN 0.757 nan 8.310 nan 0.000 0.473 197 Q N 2.397 122.188 119.800 -0.015 0.000 2.322 197 Q HA 0.179 4.559 4.340 0.066 0.000 0.203 197 Q C -0.067 175.970 176.000 0.061 0.000 0.923 197 Q CA 0.247 56.051 55.803 0.002 0.000 0.949 197 Q CB -0.225 28.494 28.738 -0.031 0.000 1.039 197 Q HN 0.793 nan 8.270 nan 0.000 0.496 198 H N 0.696 119.749 119.070 -0.027 0.000 2.699 198 H HA 0.191 4.786 4.556 0.065 0.000 0.256 198 H C -2.152 173.155 175.328 -0.035 0.000 1.376 198 H CA -1.897 54.136 56.048 -0.026 0.000 1.549 198 H CB 1.560 31.303 29.762 -0.032 0.000 1.686 198 H HN 0.013 nan 8.280 nan 0.000 0.550 199 P HA -0.063 nan 4.420 nan 0.000 0.222 199 P C 1.375 178.673 177.300 -0.005 0.000 1.153 199 P CA 0.676 63.799 63.100 0.039 0.000 0.798 199 P CB 0.610 32.328 31.700 0.031 0.000 0.796 200 S N -0.011 115.740 115.700 0.086 0.000 2.387 200 S HA -0.138 4.371 4.470 0.066 0.000 0.226 200 S C 2.012 176.476 174.600 -0.226 0.000 1.026 200 S CA 1.091 59.284 58.200 -0.013 0.000 0.972 200 S CB -0.555 62.716 63.200 0.118 0.000 0.814 200 S HN 0.311 nan 8.310 nan 0.000 0.477 201 E N 0.590 120.429 120.200 -0.603 0.000 2.106 201 E HA -0.090 4.299 4.350 0.066 0.000 0.192 201 E C 1.884 178.287 176.600 -0.328 0.000 0.984 201 E CA 0.931 56.931 56.400 -0.666 0.000 0.806 201 E CB -0.161 28.841 29.700 -1.163 0.000 0.750 201 E HN 0.455 nan 8.360 nan 0.000 0.458 202 I N 1.162 121.584 120.570 -0.247 0.000 2.286 202 I HA -0.298 3.912 4.170 0.066 0.000 0.248 202 I C 2.738 178.767 176.117 -0.146 0.000 1.115 202 I CA 1.360 62.574 61.300 -0.143 0.000 1.392 202 I CB -0.197 37.747 38.000 -0.094 0.000 1.065 202 I HN 0.300 nan 8.210 nan 0.000 0.418 203 Q N 0.147 119.833 119.800 -0.190 0.000 1.993 203 Q HA -0.327 4.053 4.340 0.066 0.000 0.202 203 Q C 2.225 177.985 176.000 -0.401 0.000 0.984 203 Q CA 2.235 57.885 55.803 -0.255 0.000 0.837 203 Q CB -0.268 28.310 28.738 -0.266 0.000 0.902 203 Q HN 0.619 nan 8.270 nan 0.000 0.423 204 H N 0.089 118.765 119.070 -0.658 0.000 2.265 204 H HA -0.161 4.434 4.556 0.065 0.000 0.293 204 H C 2.049 177.269 175.328 -0.181 0.000 1.089 204 H CA 2.171 57.775 56.048 -0.740 0.000 1.244 204 H CB 0.216 29.722 29.762 -0.427 0.000 1.355 204 H HN 0.061 nan 8.280 nan 0.000 0.485 205 K N 0.084 120.557 120.400 0.121 0.000 2.032 205 K HA -0.110 4.250 4.320 0.066 0.000 0.209 205 K C 2.395 179.048 176.600 0.087 0.000 1.048 205 K CA 1.224 57.583 56.287 0.121 0.000 0.927 205 K CB -0.633 31.864 32.500 -0.006 0.000 0.712 205 K HN 0.247 nan 8.250 nan 0.000 0.441 206 V N 1.544 121.460 119.914 0.004 0.000 2.295 206 V HA -0.242 3.918 4.120 0.066 0.000 0.246 206 V C 2.503 178.597 176.094 -0.000 0.000 1.049 206 V CA 1.917 64.211 62.300 -0.009 0.000 1.024 206 V CB -0.860 30.936 31.823 -0.045 0.000 0.648 206 V HN 0.307 nan 8.190 nan 0.000 0.447 207 A N -0.709 122.093 122.820 -0.030 0.000 1.927 207 A HA -0.331 4.028 4.320 0.066 0.000 0.220 207 A C 2.009 179.562 177.584 -0.052 0.000 1.185 207 A CA 2.632 54.650 52.037 -0.032 0.000 0.639 207 A CB -0.856 18.146 19.000 0.002 0.000 0.820 207 A HN 0.716 nan 8.150 nan 0.000 0.451 208 H N -1.046 118.032 119.070 0.014 0.000 2.363 208 H HA 0.196 4.791 4.556 0.066 0.000 0.301 208 H C 2.414 177.753 175.328 0.019 0.000 1.074 208 H CA 1.445 57.504 56.048 0.019 0.000 1.354 208 H CB -0.094 29.720 29.762 0.087 0.000 1.397 208 H HN 0.515 nan 8.280 nan 0.000 0.516 209 A N 0.311 123.222 122.820 0.151 0.000 2.015 209 A HA -0.056 4.304 4.320 0.066 0.000 0.219 209 A C 2.142 179.801 177.584 0.125 0.000 1.163 209 A CA 0.937 53.049 52.037 0.125 0.000 0.646 209 A CB -0.404 18.640 19.000 0.074 0.000 0.806 209 A HN 0.336 nan 8.150 nan 0.000 0.448 210 L N -1.861 119.392 121.223 0.049 0.000 2.162 210 L HA 0.137 4.517 4.340 0.066 0.000 0.205 210 L C 1.749 178.561 176.870 -0.097 0.000 1.086 210 L CA 0.941 55.804 54.840 0.039 0.000 0.778 210 L CB -0.371 41.681 42.059 -0.011 0.000 0.928 210 L HN 0.600 nan 8.230 nan 0.000 0.446 211 G N 0.786 109.380 108.800 -0.344 0.000 2.140 211 G HA2 -0.209 3.791 3.960 0.066 0.000 0.211 211 G HA3 -0.209 3.791 3.960 0.066 0.000 0.211 211 G C -0.079 174.574 174.900 -0.412 0.000 1.013 211 G CA 0.215 44.850 45.100 -0.776 0.000 0.705 211 G HN 0.282 nan 8.290 nan 0.000 0.508 212 L N -1.895 119.185 121.223 -0.238 0.000 2.304 212 L HA 1.015 5.394 4.340 0.066 0.000 0.268 212 L C 0.875 177.656 176.870 -0.147 0.000 1.010 212 L CA -0.987 53.767 54.840 -0.143 0.000 0.813 212 L CB 0.980 43.007 42.059 -0.054 0.000 1.315 212 L HN 0.388 nan 8.230 nan 0.000 0.445 213 A N -0.175 122.568 122.820 -0.130 0.000 2.346 213 A HA 0.379 4.738 4.320 0.066 0.000 0.252 213 A C 0.709 178.279 177.584 -0.024 0.000 1.089 213 A CA -0.187 51.707 52.037 -0.237 0.000 0.797 213 A CB -0.139 18.528 19.000 -0.556 0.000 1.047 213 A HN 0.657 nan 8.150 nan 0.000 0.494 214 F N 0.626 120.391 119.950 -0.308 0.000 2.202 214 F HA -0.174 4.394 4.527 0.068 0.000 0.301 214 F C 2.334 178.103 175.800 -0.052 0.000 1.082 214 F CA 2.042 59.940 58.000 -0.169 0.000 1.313 214 F CB -1.070 37.840 39.000 -0.149 0.000 1.024 214 F HN 0.876 nan 8.300 nan 0.000 0.495 215 H N -2.679 116.463 119.070 0.120 0.000 2.559 215 H HA 0.012 4.608 4.556 0.065 0.000 0.273 215 H C 0.676 176.012 175.328 0.012 0.000 1.000 215 H CA 0.762 56.838 56.048 0.046 0.000 1.195 215 H CB -0.168 29.606 29.762 0.020 0.000 1.368 215 H HN 0.123 nan 8.280 nan 0.000 0.592 216 D N 1.406 122.004 120.400 0.330 0.000 2.349 216 D HA 0.110 4.789 4.640 0.066 0.000 0.214 216 D C -0.174 176.159 176.300 0.055 0.000 1.063 216 D CA 0.158 54.252 54.000 0.156 0.000 0.847 216 D CB 1.041 41.928 40.800 0.146 0.000 0.933 216 D HN 0.171 nan 8.370 nan 0.000 0.513 217 V N 1.753 121.692 119.914 0.041 0.000 2.349 217 V HA 0.259 4.419 4.120 0.066 0.000 0.284 217 V C 0.162 176.233 176.094 -0.038 0.000 1.014 217 V CA -0.833 61.453 62.300 -0.022 0.000 0.826 217 V CB 2.159 33.946 31.823 -0.061 0.000 1.009 217 V HN -0.105 nan 8.190 nan 0.000 0.431 218 R N 3.734 124.203 120.500 -0.052 0.000 2.428 218 R HA 0.787 5.166 4.340 0.066 0.000 0.294 218 R C -1.639 174.593 176.300 -0.113 0.000 1.000 218 R CA -0.365 55.695 56.100 -0.067 0.000 0.960 218 R CB 1.889 32.151 30.300 -0.063 0.000 1.076 218 R HN 0.466 nan 8.270 nan 0.000 0.475 219 V N 4.086 123.934 119.914 -0.110 0.000 2.447 219 V HA 0.273 4.433 4.120 0.066 0.000 0.292 219 V C -0.764 175.261 176.094 -0.115 0.000 1.021 219 V CA -0.744 61.479 62.300 -0.129 0.000 0.850 219 V CB 1.639 33.406 31.823 -0.093 0.000 1.005 219 V HN 0.825 nan 8.190 nan 0.000 0.426 220 E N 4.759 124.854 120.200 -0.175 0.000 2.175 220 E HA 0.570 4.959 4.350 0.066 0.000 0.278 220 E C -0.866 175.747 176.600 0.022 0.000 0.969 220 E CA -0.715 55.643 56.400 -0.070 0.000 0.796 220 E CB 1.889 31.561 29.700 -0.048 0.000 1.104 220 E HN 0.364 nan 8.360 nan 0.000 0.395 221 M N 3.678 123.300 119.600 0.037 0.000 2.151 221 M HA 0.254 4.773 4.480 0.066 0.000 0.290 221 M C 0.008 176.344 176.300 0.061 0.000 0.965 221 M CA -0.482 54.850 55.300 0.053 0.000 0.930 221 M CB 1.454 34.075 32.600 0.034 0.000 1.560 221 M HN 0.415 nan 8.290 nan 0.000 0.438 222 R N 3.415 123.954 120.500 0.065 0.000 2.051 222 R HA 0.317 4.697 4.340 0.066 0.000 0.218 222 R C 0.229 176.579 176.300 0.083 0.000 1.188 222 R CA 1.301 57.436 56.100 0.059 0.000 0.992 222 R CB 0.412 30.722 30.300 0.017 0.000 0.883 222 R HN 0.792 nan 8.270 nan 0.000 0.444 223 R N -1.521 119.005 120.500 0.043 0.000 2.781 223 R HA 0.562 4.941 4.340 0.066 0.000 0.269 223 R C -0.962 175.394 176.300 0.094 0.000 1.025 223 R CA -0.714 55.420 56.100 0.056 0.000 0.914 223 R CB 1.387 31.703 30.300 0.026 0.000 1.236 223 R HN -0.070 nan 8.270 nan 0.000 0.465 224 M N 0.032 119.701 119.600 0.114 0.000 2.644 224 M HA 0.411 4.930 4.480 0.066 0.000 0.304 224 M C 0.526 176.924 176.300 0.164 0.000 1.215 224 M CA -0.774 54.590 55.300 0.108 0.000 0.871 224 M CB 2.578 35.157 32.600 -0.035 0.000 1.740 224 M HN 0.975 nan 8.290 nan 0.000 0.464 225 G N 0.623 109.455 108.800 0.053 0.000 3.424 225 G HA2 0.502 4.501 3.960 0.066 0.000 0.263 225 G HA3 0.502 4.501 3.960 0.066 0.000 0.263 225 G C 0.321 175.244 174.900 0.038 0.000 1.310 225 G CA 0.282 45.356 45.100 -0.044 0.000 1.089 225 G HN 1.093 nan 8.290 nan 0.000 0.534 226 G N -2.098 106.676 108.800 -0.043 0.000 2.650 226 G HA2 0.396 4.395 3.960 0.066 0.000 0.686 226 G HA3 0.396 4.395 3.960 0.066 0.000 0.686 226 G C 0.449 175.218 174.900 -0.219 0.000 1.205 226 G CA -0.314 44.668 45.100 -0.197 0.000 0.781 226 G HN 1.099 nan 8.290 nan 0.000 0.648 227 G N -1.115 107.400 108.800 -0.475 0.000 2.570 227 G HA2 0.525 4.525 3.960 0.066 0.000 0.213 227 G HA3 0.525 4.525 3.960 0.066 0.000 0.213 227 G C 0.924 175.829 174.900 0.008 0.000 1.391 227 G CA 0.899 45.882 45.100 -0.195 0.000 0.533 227 G HN 1.710 nan 8.290 nan 0.000 1.072 228 F N 0.759 120.778 119.950 0.114 0.000 3.059 228 F HA -0.214 4.354 4.527 0.068 0.000 0.290 228 F C 1.974 177.864 175.800 0.151 0.000 0.786 228 F CA 1.212 59.316 58.000 0.174 0.000 1.060 228 F CB -1.432 37.728 39.000 0.267 0.000 1.327 228 F HN 1.138 nan 8.300 nan 0.000 0.409 229 G N -1.340 107.536 108.800 0.127 0.000 2.284 229 G HA2 -0.089 3.911 3.960 0.066 0.000 0.201 229 G HA3 -0.089 3.911 3.960 0.066 0.000 0.201 229 G C 0.951 175.768 174.900 -0.138 0.000 0.998 229 G CA -0.202 44.973 45.100 0.125 0.000 0.651 229 G HN 1.143 nan 8.290 nan 0.000 0.489 230 G N -0.053 108.367 108.800 -0.632 0.000 3.026 230 G HA2 0.388 4.388 3.960 0.066 0.000 0.208 230 G HA3 0.388 4.388 3.960 0.066 0.000 0.208 230 G C 1.015 175.752 174.900 -0.271 0.000 1.169 230 G CA 1.139 45.722 45.100 -0.860 0.000 0.788 230 G HN 0.477 nan 8.290 nan 0.000 0.533 231 K N -0.639 119.639 120.400 -0.203 0.000 2.438 231 K HA 0.191 4.550 4.320 0.066 0.000 0.206 231 K C 1.979 178.550 176.600 -0.049 0.000 1.081 231 K CA -0.179 56.014 56.287 -0.157 0.000 1.053 231 K CB 0.460 32.826 32.500 -0.222 0.000 0.908 231 K HN 0.121 nan 8.250 nan 0.000 0.556 232 Q N -0.036 119.761 119.800 -0.006 0.000 2.124 232 Q HA -0.122 4.257 4.340 0.066 0.000 0.202 232 Q C 1.336 177.398 176.000 0.103 0.000 0.977 232 Q CA 1.940 57.788 55.803 0.074 0.000 0.850 232 Q CB 0.215 29.017 28.738 0.107 0.000 0.901 232 Q HN 0.289 nan 8.270 nan 0.000 0.429 233 S N -2.474 113.266 115.700 0.066 0.000 2.820 233 S HA 0.107 4.616 4.470 0.066 0.000 0.265 233 S C 1.216 175.861 174.600 0.075 0.000 1.043 233 S CA -0.512 57.725 58.200 0.062 0.000 1.245 233 S CB 0.357 63.598 63.200 0.069 0.000 1.187 233 S HN 0.098 nan 8.310 nan 0.000 0.673 234 Q N 1.587 121.419 119.800 0.052 0.000 2.331 234 Q HA 0.224 4.604 4.340 0.066 0.000 0.203 234 Q C 1.986 178.036 176.000 0.082 0.000 0.944 234 Q CA 1.292 57.137 55.803 0.070 0.000 0.892 234 Q CB -0.746 28.019 28.738 0.046 0.000 0.983 234 Q HN 0.652 nan 8.270 nan 0.000 0.482 235 G N 1.586 110.400 108.800 0.023 0.000 2.448 235 G HA2 -0.270 3.729 3.960 0.066 0.000 0.219 235 G HA3 -0.270 3.729 3.960 0.066 0.000 0.219 235 G C 1.220 176.146 174.900 0.043 0.000 1.127 235 G CA 0.658 45.753 45.100 -0.009 0.000 0.766 235 G HN 0.425 nan 8.290 nan 0.000 0.552 236 N N 0.074 118.821 118.700 0.078 0.000 2.069 236 N HA -0.229 4.550 4.740 0.066 0.000 0.196 236 N C 1.917 177.496 175.510 0.116 0.000 1.024 236 N CA 1.546 54.640 53.050 0.073 0.000 0.869 236 N CB -0.304 38.228 38.487 0.075 0.000 1.035 236 N HN 0.389 nan 8.380 nan 0.000 0.434 237 H N 0.153 119.285 119.070 0.104 0.000 2.352 237 H HA -0.035 4.560 4.556 0.065 0.000 0.299 237 H C 2.006 177.483 175.328 0.248 0.000 1.097 237 H CA 1.124 57.302 56.048 0.216 0.000 1.311 237 H CB -0.209 29.728 29.762 0.290 0.000 1.377 237 H HN 0.149 nan 8.280 nan 0.000 0.504 238 L N -0.629 120.721 121.223 0.212 0.000 2.072 238 L HA -0.039 4.341 4.340 0.066 0.000 0.205 238 L C 2.668 179.537 176.870 -0.002 0.000 1.079 238 L CA 1.009 55.864 54.840 0.025 0.000 0.752 238 L CB -0.442 41.511 42.059 -0.176 0.000 0.906 238 L HN 0.286 nan 8.230 nan 0.000 0.436 239 A N 0.209 123.031 122.820 0.004 0.000 1.877 239 A HA -0.163 4.196 4.320 0.066 0.000 0.216 239 A C 2.275 179.853 177.584 -0.010 0.000 1.186 239 A CA 1.544 53.572 52.037 -0.015 0.000 0.620 239 A CB -0.700 18.284 19.000 -0.026 0.000 0.822 239 A HN 0.310 nan 8.150 nan 0.000 0.443 240 I N -0.223 120.354 120.570 0.011 0.000 2.099 240 I HA -0.325 3.885 4.170 0.066 0.000 0.239 240 I C 3.051 179.166 176.117 -0.004 0.000 1.066 240 I CA 1.172 62.475 61.300 0.004 0.000 1.324 240 I CB -0.505 37.497 38.000 0.003 0.000 1.037 240 I HN 0.374 nan 8.210 nan 0.000 0.401 241 A N 0.059 122.905 122.820 0.044 0.000 1.884 241 A HA -0.331 4.029 4.320 0.066 0.000 0.219 241 A C 2.486 180.020 177.584 -0.082 0.000 1.197 241 A CA 2.401 54.437 52.037 -0.000 0.000 0.637 241 A CB -1.509 17.479 19.000 -0.021 0.000 0.827 241 A HN 0.590 nan 8.150 nan 0.000 0.450 242 C N -1.445 117.815 119.300 -0.066 0.000 2.413 242 C HA -0.016 4.484 4.460 0.066 0.000 0.277 242 C C 3.389 178.338 174.990 -0.068 0.000 1.228 242 C CA 1.169 60.148 59.018 -0.065 0.000 1.731 242 C CB -1.415 26.296 27.740 -0.048 0.000 2.042 242 C HN 0.725 nan 8.230 nan 0.000 0.468 243 A N -0.151 122.633 122.820 -0.060 0.000 1.933 243 A HA -0.082 4.277 4.320 0.066 0.000 0.218 243 A C 2.219 179.752 177.584 -0.085 0.000 1.175 243 A CA 2.118 54.121 52.037 -0.057 0.000 0.628 243 A CB -0.633 18.341 19.000 -0.043 0.000 0.814 243 A HN 0.411 nan 8.150 nan 0.000 0.444 244 V N -0.246 119.589 119.914 -0.132 0.000 2.295 244 V HA -0.228 3.932 4.120 0.066 0.000 0.246 244 V C 3.013 178.889 176.094 -0.363 0.000 1.049 244 V CA 1.965 64.126 62.300 -0.231 0.000 1.024 244 V CB -1.261 30.389 31.823 -0.288 0.000 0.648 244 V HN 0.596 nan 8.190 nan 0.000 0.447 245 A N -0.111 122.489 122.820 -0.367 0.000 1.929 245 A HA 0.021 4.380 4.320 0.066 0.000 0.216 245 A C 2.408 179.982 177.584 -0.017 0.000 1.176 245 A CA 1.772 53.684 52.037 -0.208 0.000 0.628 245 A CB -0.694 18.321 19.000 0.025 0.000 0.816 245 A HN 0.541 nan 8.150 nan 0.000 0.444 246 A N 0.015 122.811 122.820 -0.041 0.000 1.877 246 A HA -0.160 4.200 4.320 0.066 0.000 0.216 246 A C 2.220 179.801 177.584 -0.004 0.000 1.186 246 A CA 1.831 53.860 52.037 -0.013 0.000 0.620 246 A CB -0.507 18.480 19.000 -0.022 0.000 0.822 246 A HN 0.559 nan 8.150 nan 0.000 0.443 247 R N -0.331 120.155 120.500 -0.023 0.000 2.080 247 R HA -0.129 4.251 4.340 0.066 0.000 0.236 247 R C 2.314 178.626 176.300 0.019 0.000 1.137 247 R CA 1.824 57.920 56.100 -0.006 0.000 0.943 247 R CB -0.506 29.785 30.300 -0.015 0.000 0.846 247 R HN 0.414 nan 8.270 nan 0.000 0.431 248 A N -0.222 122.612 122.820 0.023 0.000 1.877 248 A HA -0.162 4.198 4.320 0.066 0.000 0.216 248 A C 2.226 179.889 177.584 0.132 0.000 1.186 248 A CA 2.116 54.217 52.037 0.107 0.000 0.620 248 A CB -0.990 18.140 19.000 0.217 0.000 0.822 248 A HN 0.673 nan 8.150 nan 0.000 0.443 249 T N -4.617 110.018 114.554 0.136 0.000 3.067 249 T HA 0.372 4.762 4.350 0.066 0.000 0.257 249 T C 1.649 176.383 174.700 0.057 0.000 1.105 249 T CA 1.145 63.309 62.100 0.106 0.000 1.104 249 T CB 0.034 68.969 68.868 0.111 0.000 0.925 249 T HN 1.703 nan 8.240 nan 0.000 0.498 250 G N 1.910 110.736 108.800 0.043 0.000 2.328 250 G HA2 -0.286 3.714 3.960 0.066 0.000 0.256 250 G HA3 -0.286 3.714 3.960 0.066 0.000 0.256 250 G C 0.378 175.289 174.900 0.017 0.000 1.014 250 G CA 0.129 45.244 45.100 0.026 0.000 0.620 250 G HN 0.670 nan 8.290 nan 0.000 0.530 251 R N 1.107 121.618 120.500 0.018 0.000 2.531 251 R HA 0.423 4.802 4.340 0.066 0.000 0.273 251 R C -2.541 173.755 176.300 -0.005 0.000 1.070 251 R CA -1.603 54.499 56.100 0.004 0.000 1.112 251 R CB 0.422 30.722 30.300 0.001 0.000 1.049 251 R HN 0.133 nan 8.270 nan 0.000 0.508 252 P HA 0.089 nan 4.420 nan 0.000 0.271 252 P C -0.770 176.498 177.300 -0.052 0.000 1.216 252 P CA -0.188 62.898 63.100 -0.024 0.000 0.776 252 P CB 0.618 32.306 31.700 -0.020 0.000 0.881 253 C N 3.535 122.807 119.300 -0.046 0.000 2.364 253 C HA 0.474 4.974 4.460 0.066 0.000 0.324 253 C C 0.075 175.029 174.990 -0.060 0.000 1.234 253 C CA -0.394 58.584 59.018 -0.067 0.000 1.417 253 C CB 0.298 28.015 27.740 -0.039 0.000 2.101 253 C HN 0.542 nan 8.230 nan 0.000 0.466 254 K N 4.570 124.917 120.400 -0.089 0.000 2.244 254 K HA 0.772 5.132 4.320 0.066 0.000 0.260 254 K C -1.077 175.536 176.600 0.021 0.000 0.951 254 K CA -0.422 55.855 56.287 -0.017 0.000 0.826 254 K CB 1.209 33.725 32.500 0.026 0.000 1.108 254 K HN 0.859 nan 8.250 nan 0.000 0.433 255 M N 4.808 124.409 119.600 0.000 0.000 2.263 255 M HA 0.402 4.921 4.480 0.066 0.000 0.295 255 M C -1.753 174.531 176.300 -0.026 0.000 1.028 255 M CA -0.721 54.564 55.300 -0.025 0.000 0.921 255 M CB 1.607 34.132 32.600 -0.126 0.000 1.601 255 M HN 0.816 nan 8.290 nan 0.000 0.440 256 R N 3.737 124.273 120.500 0.060 0.000 2.628 256 R HA 0.508 4.888 4.340 0.066 0.000 0.288 256 R C -2.122 174.310 176.300 0.221 0.000 0.980 256 R CA -0.563 55.577 56.100 0.068 0.000 0.891 256 R CB 0.879 31.241 30.300 0.104 0.000 1.188 256 R HN 0.639 nan 8.270 nan 0.000 0.450 257 Y N 1.460 121.825 120.300 0.109 0.000 2.411 257 Y HA 0.095 4.688 4.550 0.071 0.000 0.333 257 Y C 0.417 176.390 175.900 0.122 0.000 1.186 257 Y CA -0.583 57.589 58.100 0.119 0.000 1.381 257 Y CB 0.980 39.507 38.460 0.112 0.000 1.273 257 Y HN 0.510 nan 8.280 nan 0.000 0.546 258 D N 1.779 122.351 120.400 0.286 0.000 2.313 258 D HA 0.052 4.731 4.640 0.066 0.000 0.247 258 D C 1.103 177.464 176.300 0.101 0.000 1.094 258 D CA -0.208 53.887 54.000 0.158 0.000 0.925 258 D CB 1.203 42.084 40.800 0.134 0.000 1.188 258 D HN 0.514 nan 8.370 nan 0.000 0.430 259 R N 1.186 121.712 120.500 0.042 0.000 2.174 259 R HA -0.206 4.174 4.340 0.066 0.000 0.253 259 R C 1.037 177.328 176.300 -0.014 0.000 1.165 259 R CA 1.771 57.852 56.100 -0.033 0.000 0.984 259 R CB -0.005 30.250 30.300 -0.076 0.000 0.873 259 R HN 0.442 nan 8.270 nan 0.000 0.456 260 D N 0.164 120.582 120.400 0.030 0.000 2.095 260 D HA -0.160 4.519 4.640 0.066 0.000 0.192 260 D C 1.385 177.644 176.300 -0.068 0.000 0.990 260 D CA 1.682 55.704 54.000 0.036 0.000 0.836 260 D CB -0.481 40.335 40.800 0.028 0.000 0.979 260 D HN 0.294 nan 8.370 nan 0.000 0.447 261 D N 0.470 120.806 120.400 -0.107 0.000 2.178 261 D HA -0.145 4.535 4.640 0.066 0.000 0.201 261 D C 1.637 177.733 176.300 -0.340 0.000 0.980 261 D CA 0.787 54.632 54.000 -0.259 0.000 0.842 261 D CB -0.480 40.126 40.800 -0.324 0.000 0.948 261 D HN 0.262 nan 8.370 nan 0.000 0.472 262 D N 0.018 120.318 120.400 -0.167 0.000 2.106 262 D HA -0.140 4.540 4.640 0.066 0.000 0.191 262 D C 2.131 178.408 176.300 -0.038 0.000 0.997 262 D CA 1.300 55.294 54.000 -0.009 0.000 0.834 262 D CB 0.086 40.953 40.800 0.112 0.000 0.956 262 D HN 0.085 nan 8.370 nan 0.000 0.448 263 M N -0.629 118.929 119.600 -0.071 0.000 2.349 263 M HA -0.044 4.475 4.480 0.066 0.000 0.266 263 M C 2.048 178.332 176.300 -0.027 0.000 1.076 263 M CA 0.435 55.694 55.300 -0.069 0.000 1.126 263 M CB 0.262 32.813 32.600 -0.081 0.000 1.392 263 M HN 0.012 nan 8.290 nan 0.000 0.440 264 V N 0.635 120.515 119.914 -0.058 0.000 2.407 264 V HA -0.168 3.992 4.120 0.066 0.000 0.245 264 V C 2.130 178.259 176.094 0.060 0.000 1.041 264 V CA 1.475 63.750 62.300 -0.042 0.000 1.040 264 V CB -0.235 31.486 31.823 -0.170 0.000 0.671 264 V HN 0.377 nan 8.190 nan 0.000 0.455 265 I N -0.654 119.888 120.570 -0.047 0.000 2.296 265 I HA -0.039 4.170 4.170 0.066 0.000 0.242 265 I C 1.501 177.701 176.117 0.139 0.000 1.087 265 I CA 1.095 62.404 61.300 0.014 0.000 1.393 265 I CB -0.087 37.755 38.000 -0.262 0.000 1.093 265 I HN 0.299 nan 8.210 nan 0.000 0.421 266 T N 0.233 114.832 114.554 0.076 0.000 2.922 266 T HA 0.531 4.921 4.350 0.066 0.000 0.285 266 T C 0.186 174.940 174.700 0.089 0.000 1.005 266 T CA -0.490 61.671 62.100 0.101 0.000 1.061 266 T CB 1.324 70.296 68.868 0.173 0.000 1.007 266 T HN 0.260 nan 8.240 nan 0.000 0.502 267 G N 2.292 111.134 108.800 0.070 0.000 2.535 267 G HA2 0.622 4.622 3.960 0.066 0.000 0.303 267 G HA3 0.622 4.622 3.960 0.066 0.000 0.303 267 G C -0.908 174.066 174.900 0.123 0.000 1.237 267 G CA -0.676 44.462 45.100 0.062 0.000 0.986 267 G HN 0.737 nan 8.290 nan 0.000 0.494 268 K N -1.147 119.312 120.400 0.098 0.000 2.246 268 K HA 0.491 4.851 4.320 0.066 0.000 0.239 268 K C 0.171 176.837 176.600 0.109 0.000 1.089 268 K CA -0.901 55.464 56.287 0.129 0.000 0.892 268 K CB 0.966 33.542 32.500 0.126 0.000 1.334 268 K HN 0.433 nan 8.250 nan 0.000 0.507 269 R N 1.066 121.677 120.500 0.185 0.000 2.537 269 R HA 0.033 4.412 4.340 0.066 0.000 0.280 269 R C -0.722 175.639 176.300 0.102 0.000 1.058 269 R CA -0.017 56.157 56.100 0.123 0.000 1.057 269 R CB 0.025 30.255 30.300 -0.116 0.000 0.973 269 R HN 0.516 nan 8.270 nan 0.000 0.438 270 H N 3.132 122.278 119.070 0.126 0.000 3.191 270 H HA -0.039 4.557 4.556 0.066 0.000 0.261 270 H C -0.270 175.267 175.328 0.348 0.000 1.013 270 H CA 0.507 56.678 56.048 0.205 0.000 1.457 270 H CB 0.046 29.955 29.762 0.245 0.000 1.535 270 H HN 0.512 nan 8.280 nan 0.000 0.518 271 D N 3.392 123.996 120.400 0.341 0.000 2.382 271 D HA 0.050 4.729 4.640 0.066 0.000 0.245 271 D C -0.075 176.431 176.300 0.343 0.000 1.120 271 D CA 0.014 54.222 54.000 0.346 0.000 0.890 271 D CB 0.853 41.802 40.800 0.249 0.000 1.201 271 D HN 0.293 nan 8.370 nan 0.000 0.433 272 F N -0.183 119.776 119.950 0.016 0.000 2.575 272 F HA 0.452 5.018 4.527 0.066 0.000 0.330 272 F C 0.823 176.564 175.800 -0.097 0.000 1.056 272 F CA -1.212 56.760 58.000 -0.047 0.000 0.964 272 F CB 2.363 41.296 39.000 -0.112 0.000 1.258 272 F HN 0.069 nan 8.300 nan 0.000 0.484 273 R N 2.886 123.408 120.500 0.037 0.000 2.502 273 R HA 0.609 4.989 4.340 0.066 0.000 0.300 273 R C -1.831 174.536 176.300 0.113 0.000 0.984 273 R CA -0.470 55.638 56.100 0.013 0.000 0.882 273 R CB 1.355 31.661 30.300 0.010 0.000 1.180 273 R HN 0.666 nan 8.270 nan 0.000 0.444 274 I N 4.232 124.871 120.570 0.116 0.000 2.410 274 I HA 0.370 4.579 4.170 0.066 0.000 0.286 274 I C -0.106 176.291 176.117 0.467 0.000 1.009 274 I CA -0.712 60.803 61.300 0.357 0.000 1.111 274 I CB 1.854 40.099 38.000 0.407 0.000 1.262 274 I HN 0.378 nan 8.210 nan 0.000 0.443 275 R N 7.017 127.757 120.500 0.399 0.000 2.229 275 R HA 0.410 4.789 4.340 0.066 0.000 0.328 275 R C -1.591 174.907 176.300 0.329 0.000 1.009 275 R CA -0.458 55.804 56.100 0.271 0.000 0.864 275 R CB 0.810 31.200 30.300 0.150 0.000 1.085 275 R HN 0.572 nan 8.270 nan 0.000 0.453 276 Y N 1.104 121.520 120.300 0.193 0.000 2.376 276 Y HA 0.554 5.144 4.550 0.066 0.000 0.340 276 Y C -0.985 174.865 175.900 -0.085 0.000 0.965 276 Y CA -1.268 56.834 58.100 0.005 0.000 1.078 276 Y CB 1.399 39.947 38.460 0.145 0.000 1.193 276 Y HN 0.388 nan 8.280 nan 0.000 0.452 277 R N 5.661 126.084 120.500 -0.128 0.000 2.415 277 R HA 0.484 4.863 4.340 0.066 0.000 0.292 277 R C -1.408 174.812 176.300 -0.134 0.000 1.295 277 R CA -0.493 55.538 56.100 -0.114 0.000 1.137 277 R CB 1.649 31.883 30.300 -0.109 0.000 1.135 277 R HN 0.921 nan 8.270 nan 0.000 0.560 278 I N 1.019 121.558 120.570 -0.051 0.000 2.460 278 I HA 0.652 4.862 4.170 0.066 0.000 0.298 278 I C -0.337 175.744 176.117 -0.059 0.000 0.989 278 I CA -0.394 60.859 61.300 -0.077 0.000 1.173 278 I CB 1.632 39.607 38.000 -0.041 0.000 1.338 278 I HN 0.624 nan 8.210 nan 0.000 0.456 279 G N 5.200 113.963 108.800 -0.062 0.000 2.571 279 G HA2 0.792 4.792 3.960 0.066 0.000 0.304 279 G HA3 0.792 4.792 3.960 0.066 0.000 0.304 279 G C -1.603 173.275 174.900 -0.037 0.000 1.314 279 G CA -0.433 44.642 45.100 -0.042 0.000 0.975 279 G HN 0.894 nan 8.290 nan 0.000 0.485 280 A N 0.944 123.760 122.820 -0.007 0.000 2.486 280 A HA 0.870 5.230 4.320 0.066 0.000 0.289 280 A C -0.425 177.183 177.584 0.040 0.000 1.176 280 A CA -0.582 51.450 52.037 -0.008 0.000 0.757 280 A CB 1.503 20.473 19.000 -0.050 0.000 1.337 280 A HN 0.801 nan 8.150 nan 0.000 0.423 281 D N -0.497 119.923 120.400 0.033 0.000 2.478 281 D HA 0.506 5.186 4.640 0.066 0.000 0.269 281 D C 1.157 177.530 176.300 0.122 0.000 1.232 281 D CA 0.145 54.178 54.000 0.056 0.000 1.059 281 D CB 0.652 41.468 40.800 0.027 0.000 1.104 281 D HN 0.521 nan 8.370 nan 0.000 0.566 282 A N -0.054 122.829 122.820 0.106 0.000 1.933 282 A HA -0.152 4.207 4.320 0.066 0.000 0.218 282 A C 2.088 179.717 177.584 0.075 0.000 1.175 282 A CA 2.510 54.632 52.037 0.141 0.000 0.628 282 A CB -1.064 17.978 19.000 0.069 0.000 0.814 282 A HN 0.638 nan 8.150 nan 0.000 0.444 283 S N -2.735 112.983 115.700 0.030 0.000 2.496 283 S HA 0.394 4.903 4.470 0.066 0.000 0.224 283 S C 1.404 175.984 174.600 -0.032 0.000 0.996 283 S CA 1.235 59.435 58.200 -0.001 0.000 0.927 283 S CB 0.233 63.435 63.200 0.003 0.000 0.774 283 S HN 1.654 nan 8.310 nan 0.000 0.524 284 G N 0.884 109.658 108.800 -0.044 0.000 3.288 284 G HA2 -0.099 3.900 3.960 0.066 0.000 0.195 284 G HA3 -0.099 3.900 3.960 0.066 0.000 0.195 284 G C -0.219 174.635 174.900 -0.075 0.000 1.093 284 G CA -0.553 44.496 45.100 -0.085 0.000 0.852 284 G HN 0.393 nan 8.290 nan 0.000 0.453 285 K N 1.664 122.041 120.400 -0.039 0.000 2.511 285 K HA 0.298 4.658 4.320 0.066 0.000 0.280 285 K C 0.666 177.247 176.600 -0.031 0.000 1.008 285 K CA -0.032 56.242 56.287 -0.023 0.000 1.050 285 K CB 0.498 33.009 32.500 0.018 0.000 0.889 285 K HN 0.322 nan 8.250 nan 0.000 0.484 286 L N 4.050 125.243 121.223 -0.050 0.000 2.514 286 L HA -0.123 4.256 4.340 0.066 0.000 0.280 286 L C 1.288 178.128 176.870 -0.050 0.000 1.223 286 L CA -0.116 54.685 54.840 -0.065 0.000 0.864 286 L CB 0.074 42.081 42.059 -0.088 0.000 1.118 286 L HN 0.597 nan 8.230 nan 0.000 0.494 287 L N 1.692 122.887 121.223 -0.048 0.000 2.467 287 L HA 0.427 4.806 4.340 0.066 0.000 0.213 287 L C 0.733 177.569 176.870 -0.056 0.000 1.053 287 L CA 0.592 55.408 54.840 -0.041 0.000 0.847 287 L CB 0.356 42.400 42.059 -0.024 0.000 1.075 287 L HN 0.749 nan 8.230 nan 0.000 0.479 288 G N -1.436 107.328 108.800 -0.060 0.000 2.556 288 G HA2 0.625 4.624 3.960 0.066 0.000 0.294 288 G HA3 0.625 4.624 3.960 0.066 0.000 0.294 288 G C -2.045 172.811 174.900 -0.074 0.000 1.516 288 G CA 0.043 45.108 45.100 -0.059 0.000 0.824 288 G HN 0.145 nan 8.290 nan 0.000 0.535 289 A N 0.592 123.365 122.820 -0.079 0.000 2.381 289 A HA 0.737 5.097 4.320 0.066 0.000 0.299 289 A C -1.600 175.841 177.584 -0.238 0.000 1.049 289 A CA -0.522 51.400 52.037 -0.193 0.000 0.715 289 A CB 2.131 21.073 19.000 -0.097 0.000 1.222 289 A HN 0.687 nan 8.150 nan 0.000 0.428 290 D N 1.580 121.766 120.400 -0.357 0.000 2.381 290 D HA 0.642 5.321 4.640 0.066 0.000 0.235 290 D C -1.371 174.720 176.300 -0.348 0.000 1.068 290 D CA 0.130 53.994 54.000 -0.227 0.000 0.832 290 D CB 0.394 41.131 40.800 -0.106 0.000 1.101 290 D HN 0.252 nan 8.370 nan 0.000 0.515 291 F N 2.578 122.571 119.950 0.072 0.000 2.482 291 F HA 0.481 5.048 4.527 0.067 0.000 0.331 291 F C -0.143 175.676 175.800 0.032 0.000 1.115 291 F CA -1.054 57.006 58.000 0.100 0.000 0.955 291 F CB 2.047 41.084 39.000 0.061 0.000 1.136 291 F HN -0.000 nan 8.300 nan 0.000 0.452 292 V N 3.323 123.436 119.914 0.333 0.000 2.378 292 V HA 0.292 4.451 4.120 0.066 0.000 0.288 292 V C -0.424 175.908 176.094 0.396 0.000 1.016 292 V CA -0.722 61.729 62.300 0.251 0.000 0.840 292 V CB 1.055 33.017 31.823 0.231 0.000 0.994 292 V HN 0.735 nan 8.190 nan 0.000 0.431 293 H N 5.348 124.533 119.070 0.192 0.000 2.473 293 H HA 0.608 5.203 4.556 0.066 0.000 0.327 293 H C -0.734 174.617 175.328 0.038 0.000 1.105 293 H CA -0.785 55.358 56.048 0.157 0.000 1.280 293 H CB 1.627 31.508 29.762 0.199 0.000 1.450 293 H HN 0.421 nan 8.280 nan 0.000 0.492 294 L N 3.006 124.228 121.223 -0.002 0.000 2.388 294 L HA 0.452 4.832 4.340 0.066 0.000 0.267 294 L C -0.368 176.215 176.870 -0.478 0.000 0.995 294 L CA -0.644 54.121 54.840 -0.125 0.000 0.864 294 L CB 1.339 43.372 42.059 -0.044 0.000 1.216 294 L HN 0.609 nan 8.230 nan 0.000 0.430 295 A N 3.426 125.914 122.820 -0.554 0.000 2.276 295 A HA 0.551 4.911 4.320 0.066 0.000 0.316 295 A C -0.185 177.289 177.584 -0.183 0.000 1.229 295 A CA -0.602 51.030 52.037 -0.676 0.000 0.851 295 A CB 0.888 19.445 19.000 -0.737 0.000 1.165 295 A HN 0.662 nan 8.150 nan 0.000 0.513 296 R N 2.767 123.224 120.500 -0.073 0.000 2.272 296 R HA 0.193 4.573 4.340 0.066 0.000 0.334 296 R C -0.064 176.287 176.300 0.086 0.000 1.117 296 R CA -0.067 56.028 56.100 -0.009 0.000 0.966 296 R CB 0.172 30.445 30.300 -0.046 0.000 1.049 296 R HN 0.887 nan 8.270 nan 0.000 0.477 297 C N 2.195 121.581 119.300 0.144 0.000 2.504 297 C HA 0.282 4.781 4.460 0.066 0.000 0.279 297 C C 1.238 176.267 174.990 0.065 0.000 1.358 297 C CA 0.771 59.925 59.018 0.226 0.000 1.747 297 C CB -0.698 27.247 27.740 0.341 0.000 2.037 297 C HN 1.034 nan 8.230 nan 0.000 0.503 298 G N 0.118 108.962 108.800 0.073 0.000 2.631 298 G HA2 -0.178 3.822 3.960 0.066 0.000 0.504 298 G HA3 -0.178 3.822 3.960 0.066 0.000 0.504 298 G C 0.265 175.275 174.900 0.184 0.000 1.306 298 G CA -0.002 45.132 45.100 0.057 0.000 0.897 298 G HN 0.568 nan 8.290 nan 0.000 0.520 299 W N -0.029 121.252 121.300 -0.032 0.000 2.525 299 W HA 0.393 5.092 4.660 0.065 0.000 0.259 299 W C 0.478 177.096 176.519 0.164 0.000 1.253 299 W CA 1.061 58.439 57.345 0.054 0.000 1.262 299 W CB -0.728 28.779 29.460 0.078 0.000 1.122 299 W HN 1.176 nan 8.180 nan 0.000 0.607 300 S N -0.449 114.880 115.700 -0.617 0.000 2.547 300 S HA 0.569 5.079 4.470 0.066 0.000 0.281 300 S C 0.903 175.101 174.600 -0.670 0.000 1.118 300 S CA -0.037 57.705 58.200 -0.764 0.000 0.947 300 S CB 1.578 63.842 63.200 -1.561 0.000 1.053 300 S HN 0.192 nan 8.310 nan 0.000 0.482 301 A N 3.967 126.242 122.820 -0.910 0.000 1.873 301 A HA -0.112 4.248 4.320 0.066 0.000 0.219 301 A C 1.206 178.450 177.584 -0.567 0.000 1.269 301 A CA 2.751 54.125 52.037 -1.105 0.000 0.671 301 A CB -1.871 16.714 19.000 -0.692 0.000 0.842 301 A HN 1.225 nan 8.150 nan 0.000 0.460 302 D N -2.674 117.505 120.400 -0.369 0.000 3.771 302 D HA -0.235 4.445 4.640 0.066 0.000 0.145 302 D C 0.440 176.678 176.300 -0.103 0.000 0.892 302 D CA 2.114 56.000 54.000 -0.190 0.000 1.080 302 D CB -1.100 39.610 40.800 -0.151 0.000 0.498 302 D HN 0.249 nan 8.370 nan 0.000 0.499 303 L N 0.428 121.647 121.223 -0.006 0.000 2.685 303 L HA 0.254 4.634 4.340 0.066 0.000 0.233 303 L C 1.675 178.542 176.870 -0.005 0.000 1.173 303 L CA -0.025 54.866 54.840 0.085 0.000 0.961 303 L CB 0.138 42.345 42.059 0.246 0.000 1.217 303 L HN 0.169 nan 8.230 nan 0.000 0.478 304 S N 0.245 115.891 115.700 -0.089 0.000 2.356 304 S HA -0.203 4.307 4.470 0.066 0.000 0.223 304 S C 1.841 176.299 174.600 -0.237 0.000 1.032 304 S CA 1.318 59.389 58.200 -0.216 0.000 1.005 304 S CB -0.149 62.957 63.200 -0.158 0.000 0.867 304 S HN 0.462 nan 8.310 nan 0.000 0.449 305 L N 2.363 123.498 121.223 -0.147 0.000 1.971 305 L HA -0.106 4.273 4.340 0.066 0.000 0.215 305 L C -1.147 175.724 176.870 0.001 0.000 1.072 305 L CA 1.821 56.620 54.840 -0.067 0.000 0.758 305 L CB -1.163 40.873 42.059 -0.039 0.000 0.889 305 L HN 0.210 nan 8.230 nan 0.000 0.433 306 P HA -0.114 nan 4.420 nan 0.000 0.217 306 P C 1.962 179.357 177.300 0.158 0.000 1.150 306 P CA 1.151 64.416 63.100 0.276 0.000 0.832 306 P CB -0.005 32.004 31.700 0.514 0.000 0.787 307 V N -0.232 119.446 119.914 -0.393 0.000 2.233 307 V HA -0.308 3.852 4.120 0.066 0.000 0.247 307 V C 2.548 178.464 176.094 -0.296 0.000 1.050 307 V CA 2.215 64.005 62.300 -0.849 0.000 1.010 307 V CB -1.537 29.731 31.823 -0.926 0.000 0.637 307 V HN 0.187 nan 8.190 nan 0.000 0.444 308 C N 0.257 119.434 119.300 -0.204 0.000 2.411 308 C HA -0.164 4.335 4.460 0.066 0.000 0.279 308 C C 2.449 177.457 174.990 0.029 0.000 1.288 308 C CA 0.917 59.913 59.018 -0.037 0.000 1.764 308 C CB -1.262 26.428 27.740 -0.083 0.000 1.974 308 C HN 0.649 nan 8.230 nan 0.000 0.498 309 D N 0.183 120.621 120.400 0.062 0.000 2.097 309 D HA -0.134 4.546 4.640 0.066 0.000 0.197 309 D C 2.208 178.656 176.300 0.247 0.000 0.984 309 D CA 0.944 55.048 54.000 0.172 0.000 0.826 309 D CB -0.543 40.481 40.800 0.374 0.000 0.973 309 D HN 0.478 nan 8.370 nan 0.000 0.460 310 R N 1.004 121.656 120.500 0.253 0.000 2.159 310 R HA -0.124 4.255 4.340 0.066 0.000 0.237 310 R C 2.093 178.577 176.300 0.306 0.000 1.131 310 R CA 1.340 57.632 56.100 0.320 0.000 0.982 310 R CB -0.058 30.456 30.300 0.357 0.000 0.868 310 R HN 0.114 nan 8.270 nan 0.000 0.453 311 A N 0.487 123.408 122.820 0.169 0.000 1.854 311 A HA -0.139 4.220 4.320 0.066 0.000 0.214 311 A C 2.176 179.948 177.584 0.314 0.000 1.192 311 A CA 1.414 53.541 52.037 0.152 0.000 0.611 311 A CB -0.446 18.613 19.000 0.099 0.000 0.832 311 A HN 0.338 nan 8.150 nan 0.000 0.442 312 M N -1.198 118.555 119.600 0.255 0.000 2.149 312 M HA -0.155 4.365 4.480 0.066 0.000 0.261 312 M C 2.053 178.676 176.300 0.539 0.000 1.064 312 M CA 1.203 56.608 55.300 0.175 0.000 1.102 312 M CB -0.342 31.993 32.600 -0.443 0.000 1.369 312 M HN 0.380 nan 8.290 nan 0.000 0.408 313 L N -0.796 120.709 121.223 0.470 0.000 2.093 313 L HA -0.162 4.218 4.340 0.066 0.000 0.208 313 L C 1.651 178.686 176.870 0.276 0.000 1.085 313 L CA 2.021 57.007 54.840 0.244 0.000 0.755 313 L CB -0.673 41.341 42.059 -0.075 0.000 0.904 313 L HN 0.280 nan 8.230 nan 0.000 0.435 314 H N -1.945 117.305 119.070 0.300 0.000 2.517 314 H HA 0.360 4.956 4.556 0.066 0.000 0.282 314 H C 1.763 177.219 175.328 0.214 0.000 1.023 314 H CA 0.512 56.712 56.048 0.254 0.000 1.169 314 H CB 0.066 29.905 29.762 0.128 0.000 1.454 314 H HN 0.246 nan 8.280 nan 0.000 0.556 315 A N 0.834 123.833 122.820 0.298 0.000 2.248 315 A HA -0.125 4.234 4.320 0.066 0.000 0.210 315 A C 1.491 179.016 177.584 -0.099 0.000 1.174 315 A CA 1.217 53.251 52.037 -0.005 0.000 0.750 315 A CB -0.159 18.794 19.000 -0.077 0.000 0.780 315 A HN 0.510 nan 8.150 nan 0.000 0.478 316 D N -1.306 119.167 120.400 0.121 0.000 2.355 316 D HA 0.222 4.902 4.640 0.066 0.000 0.218 316 D C 1.287 177.724 176.300 0.228 0.000 1.004 316 D CA 0.954 55.072 54.000 0.198 0.000 0.880 316 D CB -0.703 40.354 40.800 0.428 0.000 0.911 316 D HN 0.543 nan 8.370 nan 0.000 0.528 317 G N 1.035 109.943 108.800 0.181 0.000 2.629 317 G HA2 -0.342 3.658 3.960 0.066 0.000 0.313 317 G HA3 -0.342 3.658 3.960 0.066 0.000 0.313 317 G C 0.668 175.545 174.900 -0.039 0.000 1.217 317 G CA 0.988 46.148 45.100 0.100 0.000 0.994 317 G HN 0.437 nan 8.290 nan 0.000 0.549 318 S N 0.459 115.844 115.700 -0.525 0.000 2.663 318 S HA 0.491 5.000 4.470 0.066 0.000 0.243 318 S C -0.609 173.777 174.600 -0.356 0.000 1.009 318 S CA -0.042 57.934 58.200 -0.373 0.000 0.988 318 S CB 0.344 63.343 63.200 -0.334 0.000 0.896 318 S HN 0.520 nan 8.310 nan 0.000 0.502 319 Y N 0.535 120.920 120.300 0.142 0.000 2.350 319 Y HA 0.513 5.102 4.550 0.066 0.000 0.338 319 Y C -0.335 175.307 175.900 -0.430 0.000 0.961 319 Y CA -1.671 56.356 58.100 -0.121 0.000 1.100 319 Y CB 0.664 39.091 38.460 -0.055 0.000 1.179 319 Y HN 0.175 nan 8.280 nan 0.000 0.454 320 F N 4.468 123.924 119.950 -0.824 0.000 2.519 320 F HA 0.420 4.986 4.527 0.066 0.000 0.375 320 F C -0.754 174.942 175.800 -0.173 0.000 1.084 320 F CA -0.506 57.073 58.000 -0.702 0.000 1.147 320 F CB 0.099 38.751 39.000 -0.581 0.000 1.088 320 F HN 0.200 nan 8.300 nan 0.000 0.555 321 V N 9.588 129.112 119.914 -0.651 0.000 2.417 321 V HA 0.238 4.398 4.120 0.066 0.000 0.291 321 V C -1.615 174.063 176.094 -0.693 0.000 1.024 321 V CA -1.367 60.634 62.300 -0.498 0.000 0.861 321 V CB 1.516 33.251 31.823 -0.148 0.000 0.985 321 V HN 0.610 nan 8.190 nan 0.000 0.436 322 P HA -0.042 nan 4.420 nan 0.000 0.214 322 P C 0.242 177.451 177.300 -0.152 0.000 1.163 322 P CA 1.283 64.187 63.100 -0.328 0.000 0.883 322 P CB 0.305 31.922 31.700 -0.140 0.000 0.788 323 A N -0.468 122.292 122.820 -0.099 0.000 2.318 323 A HA 0.668 5.028 4.320 0.066 0.000 0.317 323 A C -1.197 176.384 177.584 -0.006 0.000 1.159 323 A CA -0.456 51.564 52.037 -0.029 0.000 0.799 323 A CB 0.319 19.309 19.000 -0.016 0.000 1.194 323 A HN 0.150 nan 8.150 nan 0.000 0.479 324 L N 2.741 123.994 121.223 0.050 0.000 2.541 324 L HA 0.540 4.919 4.340 0.066 0.000 0.266 324 L C -0.580 176.379 176.870 0.148 0.000 0.966 324 L CA -0.285 54.609 54.840 0.089 0.000 0.871 324 L CB 1.321 43.429 42.059 0.083 0.000 1.232 324 L HN 0.836 nan 8.230 nan 0.000 0.408 325 R N 4.918 125.496 120.500 0.130 0.000 2.393 325 R HA 0.678 5.058 4.340 0.066 0.000 0.315 325 R C -1.465 174.927 176.300 0.153 0.000 0.952 325 R CA -0.611 55.577 56.100 0.147 0.000 0.842 325 R CB 1.270 31.625 30.300 0.091 0.000 1.163 325 R HN 0.547 nan 8.270 nan 0.000 0.450 326 I N 2.610 123.266 120.570 0.142 0.000 2.362 326 I HA 0.274 4.484 4.170 0.066 0.000 0.289 326 I C -0.127 175.923 176.117 -0.111 0.000 0.994 326 I CA -0.334 60.963 61.300 -0.006 0.000 1.158 326 I CB 1.835 39.751 38.000 -0.140 0.000 1.315 326 I HN 0.465 nan 8.210 nan 0.000 0.451 327 E N 4.541 124.665 120.200 -0.127 0.000 2.073 327 E HA 0.365 4.754 4.350 0.066 0.000 0.269 327 E C -0.970 175.428 176.600 -0.338 0.000 0.917 327 E CA -0.279 55.994 56.400 -0.213 0.000 0.757 327 E CB 1.074 30.711 29.700 -0.104 0.000 1.111 327 E HN 0.563 nan 8.360 nan 0.000 0.410 328 S N 5.136 120.584 115.700 -0.422 0.000 2.520 328 S HA 0.248 4.758 4.470 0.066 0.000 0.324 328 S C -0.931 173.456 174.600 -0.355 0.000 1.069 328 S CA -0.746 57.275 58.200 -0.299 0.000 1.121 328 S CB 0.262 63.316 63.200 -0.243 0.000 0.971 328 S HN 0.508 nan 8.310 nan 0.000 0.463 329 H N 5.438 124.476 119.070 -0.054 0.000 2.594 329 H HA 0.320 4.916 4.556 0.066 0.000 0.304 329 H C 0.082 175.358 175.328 -0.086 0.000 1.068 329 H CA -0.732 55.280 56.048 -0.060 0.000 1.308 329 H CB 0.642 30.373 29.762 -0.053 0.000 1.409 329 H HN 0.555 nan 8.280 nan 0.000 0.460 330 R N 4.032 124.557 120.500 0.041 0.000 2.391 330 R HA 0.274 4.653 4.340 0.066 0.000 0.310 330 R C -0.541 175.828 176.300 0.113 0.000 1.174 330 R CA -0.563 55.567 56.100 0.050 0.000 1.118 330 R CB -0.259 30.076 30.300 0.057 0.000 1.134 330 R HN 0.414 nan 8.270 nan 0.000 0.524 331 L N 2.625 123.879 121.223 0.051 0.000 2.290 331 L HA 0.430 4.809 4.340 0.066 0.000 0.284 331 L C 0.938 177.800 176.870 -0.012 0.000 1.078 331 L CA -0.620 54.212 54.840 -0.013 0.000 0.815 331 L CB 0.975 43.005 42.059 -0.048 0.000 1.162 331 L HN 0.353 nan 8.230 nan 0.000 0.435 332 R N 2.309 122.696 120.500 -0.188 0.000 2.347 332 R HA 0.290 4.670 4.340 0.066 0.000 0.304 332 R C -0.506 175.734 176.300 -0.099 0.000 1.072 332 R CA -0.118 55.845 56.100 -0.229 0.000 0.980 332 R CB 0.595 30.483 30.300 -0.687 0.000 0.986 332 R HN 0.797 nan 8.270 nan 0.000 0.448 333 T N 0.682 115.224 114.554 -0.020 0.000 2.924 333 T HA 0.253 4.643 4.350 0.066 0.000 0.291 333 T C 0.106 174.821 174.700 0.025 0.000 1.045 333 T CA -1.038 61.036 62.100 -0.044 0.000 1.015 333 T CB 1.444 70.240 68.868 -0.121 0.000 1.103 333 T HN 0.571 nan 8.240 nan 0.000 0.496 334 N N 1.466 120.174 118.700 0.012 0.000 3.111 334 N HA 0.254 5.034 4.740 0.066 0.000 0.302 334 N C 0.085 175.633 175.510 0.063 0.000 1.317 334 N CA -0.242 52.864 53.050 0.092 0.000 1.151 334 N CB 0.052 38.577 38.487 0.063 0.000 1.456 334 N HN 0.783 nan 8.380 nan 0.000 0.547 335 T N -3.596 110.966 114.554 0.013 0.000 2.742 335 T HA 0.337 4.727 4.350 0.066 0.000 0.282 335 T C -0.147 174.456 174.700 -0.162 0.000 1.025 335 T CA -1.025 61.043 62.100 -0.055 0.000 1.020 335 T CB 0.791 69.404 68.868 -0.425 0.000 1.317 335 T HN -0.182 nan 8.240 nan 0.000 0.538 336 Q N 1.659 121.364 119.800 -0.158 0.000 2.308 336 Q HA 0.261 4.640 4.340 0.066 0.000 0.313 336 Q C 0.266 176.158 176.000 -0.180 0.000 1.075 336 Q CA 0.361 55.928 55.803 -0.394 0.000 0.995 336 Q CB 0.217 28.976 28.738 0.034 0.000 1.107 336 Q HN 0.681 nan 8.270 nan 0.000 0.380 337 S N 3.638 119.257 115.700 -0.134 0.000 2.507 337 S HA 0.011 4.520 4.470 0.066 0.000 0.299 337 S C -0.200 174.319 174.600 -0.135 0.000 1.214 337 S CA -0.286 57.827 58.200 -0.145 0.000 1.137 337 S CB -0.311 62.708 63.200 -0.301 0.000 1.009 337 S HN 0.575 nan 8.310 nan 0.000 0.512 338 N N 3.414 121.994 118.700 -0.200 0.000 2.518 338 N HA 0.194 4.974 4.740 0.066 0.000 0.266 338 N C 0.100 175.514 175.510 -0.161 0.000 1.196 338 N CA -0.028 52.817 53.050 -0.342 0.000 0.947 338 N CB 0.948 38.853 38.487 -0.969 0.000 1.098 338 N HN 0.529 nan 8.380 nan 0.000 0.450 339 T N 0.025 114.578 114.554 -0.000 0.000 2.645 339 T HA 0.593 4.983 4.350 0.066 0.000 0.273 339 T C -0.865 173.995 174.700 0.266 0.000 0.960 339 T CA -0.494 61.701 62.100 0.158 0.000 1.051 339 T CB 0.854 69.796 68.868 0.124 0.000 1.366 339 T HN 0.487 nan 8.240 nan 0.000 0.536 340 A N 0.905 123.920 122.820 0.325 0.000 2.483 340 A HA 0.589 4.949 4.320 0.066 0.000 0.238 340 A C -0.669 177.215 177.584 0.501 0.000 1.070 340 A CA 0.050 52.362 52.037 0.459 0.000 0.770 340 A CB -0.493 18.847 19.000 0.566 0.000 1.008 340 A HN 0.727 nan 8.150 nan 0.000 0.497 341 F N 0.428 120.543 119.950 0.274 0.000 2.650 341 F HA 0.418 4.986 4.527 0.068 0.000 0.310 341 F C 0.402 176.169 175.800 -0.055 0.000 1.112 341 F CA -1.192 56.900 58.000 0.154 0.000 0.986 341 F CB 1.282 40.166 39.000 -0.193 0.000 1.285 341 F HN 0.756 nan 8.300 nan 0.000 0.440 342 R N 2.759 123.591 120.500 0.553 0.000 2.912 342 R HA 0.109 4.488 4.340 0.066 0.000 0.308 342 R C 0.924 176.936 176.300 -0.479 0.000 0.787 342 R CA 2.060 58.189 56.100 0.047 0.000 1.117 342 R CB -0.481 29.906 30.300 0.145 0.000 0.893 342 R HN 1.076 nan 8.270 nan 0.000 0.401 343 G N 3.819 112.465 108.800 -0.257 0.000 2.232 343 G HA2 -0.330 3.670 3.960 0.066 0.000 0.226 343 G HA3 -0.330 3.670 3.960 0.066 0.000 0.226 343 G C 0.345 175.272 174.900 0.044 0.000 0.996 343 G CA 0.008 44.942 45.100 -0.277 0.000 0.626 343 G HN 0.811 nan 8.290 nan 0.000 0.509 344 F N 0.107 119.985 119.950 -0.119 0.000 3.097 344 F HA -0.048 4.518 4.527 0.066 0.000 0.278 344 F C 1.833 177.601 175.800 -0.053 0.000 0.917 344 F CA 2.757 60.746 58.000 -0.018 0.000 0.962 344 F CB -1.015 38.012 39.000 0.045 0.000 0.964 344 F HN 2.000 nan 8.300 nan 0.000 0.668 345 G N -1.231 107.430 108.800 -0.231 0.000 2.213 345 G HA2 -0.218 3.782 3.960 0.066 0.000 0.236 345 G HA3 -0.218 3.782 3.960 0.066 0.000 0.236 345 G C 1.521 176.269 174.900 -0.253 0.000 0.991 345 G CA 0.723 45.645 45.100 -0.297 0.000 0.629 345 G HN 1.449 nan 8.290 nan 0.000 0.517 346 G N 1.653 110.356 108.800 -0.162 0.000 2.459 346 G HA2 0.021 4.021 3.960 0.066 0.000 0.217 346 G HA3 0.021 4.021 3.960 0.066 0.000 0.217 346 G C 0.138 174.960 174.900 -0.129 0.000 1.183 346 G CA 2.008 46.992 45.100 -0.192 0.000 0.776 346 G HN 0.529 nan 8.290 nan 0.000 0.552 347 P HA -0.160 nan 4.420 nan 0.000 0.215 347 P C 1.865 179.160 177.300 -0.007 0.000 1.163 347 P CA 1.703 64.760 63.100 -0.072 0.000 0.894 347 P CB -0.099 31.387 31.700 -0.357 0.000 0.791 348 Q N -0.797 118.862 119.800 -0.235 0.000 2.029 348 Q HA -0.155 4.224 4.340 0.066 0.000 0.209 348 Q C 2.477 178.235 176.000 -0.404 0.000 0.999 348 Q CA 2.333 57.861 55.803 -0.458 0.000 0.857 348 Q CB -1.772 26.170 28.738 -1.326 0.000 0.926 348 Q HN 0.267 nan 8.270 nan 0.000 0.415 349 G N -0.014 108.573 108.800 -0.355 0.000 2.469 349 G HA2 -0.262 3.737 3.960 0.066 0.000 0.219 349 G HA3 -0.262 3.737 3.960 0.066 0.000 0.219 349 G C 1.445 176.325 174.900 -0.035 0.000 1.150 349 G CA 1.149 46.167 45.100 -0.136 0.000 0.763 349 G HN 0.468 nan 8.290 nan 0.000 0.561 350 A N 0.147 122.989 122.820 0.037 0.000 1.898 350 A HA 0.217 4.577 4.320 0.066 0.000 0.214 350 A C 2.308 179.962 177.584 0.117 0.000 1.183 350 A CA 1.401 53.500 52.037 0.103 0.000 0.622 350 A CB -0.426 18.665 19.000 0.152 0.000 0.824 350 A HN 0.405 nan 8.150 nan 0.000 0.444 351 L N 0.465 121.768 121.223 0.133 0.000 2.127 351 L HA -0.089 4.291 4.340 0.066 0.000 0.211 351 L C 2.296 179.328 176.870 0.269 0.000 1.089 351 L CA 2.037 56.998 54.840 0.203 0.000 0.757 351 L CB -0.846 41.336 42.059 0.206 0.000 0.899 351 L HN 0.325 nan 8.230 nan 0.000 0.434 352 G N -0.882 108.041 108.800 0.204 0.000 2.421 352 G HA2 -0.341 3.659 3.960 0.066 0.000 0.216 352 G HA3 -0.341 3.659 3.960 0.066 0.000 0.216 352 G C 1.529 176.545 174.900 0.194 0.000 1.171 352 G CA 0.987 46.254 45.100 0.280 0.000 0.775 352 G HN 0.411 nan 8.290 nan 0.000 0.543 353 M N 0.536 120.160 119.600 0.040 0.000 2.254 353 M HA 0.126 4.646 4.480 0.066 0.000 0.265 353 M C 2.148 178.582 176.300 0.224 0.000 1.066 353 M CA 1.103 56.533 55.300 0.217 0.000 1.123 353 M CB -0.226 32.490 32.600 0.194 0.000 1.388 353 M HN 0.092 nan 8.290 nan 0.000 0.425 354 E N -0.200 120.112 120.200 0.186 0.000 2.107 354 E HA -0.109 4.281 4.350 0.066 0.000 0.191 354 E C 2.218 178.813 176.600 -0.007 0.000 0.982 354 E CA 0.693 57.186 56.400 0.156 0.000 0.809 354 E CB -0.375 29.438 29.700 0.188 0.000 0.756 354 E HN 0.448 nan 8.360 nan 0.000 0.459 355 R N 0.586 121.009 120.500 -0.128 0.000 2.081 355 R HA -0.010 4.369 4.340 0.066 0.000 0.235 355 R C 2.166 178.173 176.300 -0.488 0.000 1.131 355 R CA 1.144 57.009 56.100 -0.391 0.000 0.960 355 R CB -0.489 29.301 30.300 -0.851 0.000 0.856 355 R HN 0.132 nan 8.270 nan 0.000 0.436 356 A N 0.778 123.267 122.820 -0.551 0.000 1.877 356 A HA -0.167 4.193 4.320 0.066 0.000 0.216 356 A C 2.196 179.692 177.584 -0.146 0.000 1.186 356 A CA 1.282 53.035 52.037 -0.473 0.000 0.620 356 A CB -0.533 18.412 19.000 -0.093 0.000 0.822 356 A HN 0.258 nan 8.150 nan 0.000 0.443 357 I N -0.465 120.033 120.570 -0.120 0.000 2.361 357 I HA -0.188 4.022 4.170 0.066 0.000 0.251 357 I C 2.241 178.281 176.117 -0.128 0.000 1.133 357 I CA 1.913 63.107 61.300 -0.177 0.000 1.413 357 I CB -0.073 37.717 38.000 -0.351 0.000 1.073 357 I HN 0.486 nan 8.210 nan 0.000 0.424 358 E N -0.237 119.915 120.200 -0.079 0.000 2.015 358 E HA -0.316 4.074 4.350 0.066 0.000 0.191 358 E C 2.291 178.924 176.600 0.056 0.000 0.991 358 E CA 1.644 58.042 56.400 -0.004 0.000 0.802 358 E CB -0.359 29.321 29.700 -0.034 0.000 0.759 358 E HN 0.574 nan 8.360 nan 0.000 0.447 359 H N -0.432 118.563 119.070 -0.125 0.000 2.422 359 H HA -0.083 4.513 4.556 0.066 0.000 0.298 359 H C 1.848 177.027 175.328 -0.249 0.000 1.098 359 H CA 1.572 57.405 56.048 -0.358 0.000 1.315 359 H CB -0.295 29.263 29.762 -0.340 0.000 1.382 359 H HN 0.267 nan 8.280 nan 0.000 0.523 360 L N -0.176 120.939 121.223 -0.181 0.000 2.056 360 L HA 0.021 4.401 4.340 0.066 0.000 0.207 360 L C 2.488 179.242 176.870 -0.193 0.000 1.078 360 L CA 1.661 56.373 54.840 -0.213 0.000 0.749 360 L CB -0.980 40.989 42.059 -0.150 0.000 0.901 360 L HN 0.334 nan 8.230 nan 0.000 0.433 361 A N -0.419 122.322 122.820 -0.133 0.000 1.845 361 A HA -0.184 4.176 4.320 0.066 0.000 0.215 361 A C 2.311 179.859 177.584 -0.061 0.000 1.195 361 A CA 1.534 53.511 52.037 -0.100 0.000 0.616 361 A CB -0.554 18.415 19.000 -0.051 0.000 0.832 361 A HN 0.382 nan 8.150 nan 0.000 0.443 362 R N -0.521 119.989 120.500 0.016 0.000 2.103 362 R HA -0.152 4.228 4.340 0.066 0.000 0.242 362 R C 2.339 178.630 176.300 -0.015 0.000 1.142 362 R CA 1.423 57.574 56.100 0.085 0.000 0.960 362 R CB -1.554 28.936 30.300 0.317 0.000 0.858 362 R HN 0.561 nan 8.270 nan 0.000 0.439 363 G N 1.966 110.675 108.800 -0.152 0.000 2.440 363 G HA2 -0.259 3.740 3.960 0.066 0.000 0.218 363 G HA3 -0.259 3.740 3.960 0.066 0.000 0.218 363 G C 1.415 176.259 174.900 -0.093 0.000 1.154 363 G CA 1.062 46.045 45.100 -0.195 0.000 0.767 363 G HN 0.478 nan 8.290 nan 0.000 0.552 364 M N -0.344 119.191 119.600 -0.109 0.000 2.549 364 M HA 0.520 5.040 4.480 0.066 0.000 0.273 364 M C 1.044 177.293 176.300 -0.085 0.000 1.213 364 M CA 0.234 55.471 55.300 -0.105 0.000 0.976 364 M CB 0.161 32.520 32.600 -0.402 0.000 1.457 364 M HN 0.201 nan 8.290 nan 0.000 0.485 365 G N 2.311 111.083 108.800 -0.047 0.000 2.386 365 G HA2 -0.224 3.775 3.960 0.066 0.000 0.295 365 G HA3 -0.224 3.775 3.960 0.066 0.000 0.295 365 G C -0.504 174.373 174.900 -0.038 0.000 0.979 365 G CA 0.091 45.176 45.100 -0.025 0.000 1.193 365 G HN 0.640 nan 8.290 nan 0.000 0.508 366 R N -0.282 120.190 120.500 -0.047 0.000 2.673 366 R HA 0.307 4.687 4.340 0.066 0.000 0.281 366 R C -0.823 175.463 176.300 -0.023 0.000 0.991 366 R CA -0.979 55.090 56.100 -0.052 0.000 0.896 366 R CB 1.536 31.776 30.300 -0.101 0.000 1.201 366 R HN 0.374 nan 8.270 nan 0.000 0.457 367 D N 2.802 123.197 120.400 -0.009 0.000 2.371 367 D HA 0.107 4.786 4.640 0.066 0.000 0.256 367 D C -1.530 174.783 176.300 0.022 0.000 1.193 367 D CA -1.386 52.627 54.000 0.022 0.000 0.881 367 D CB 1.257 42.077 40.800 0.033 0.000 1.143 367 D HN 0.091 nan 8.370 nan 0.000 0.473 368 P HA -0.047 nan 4.420 nan 0.000 0.222 368 P C 0.813 178.129 177.300 0.026 0.000 1.147 368 P CA 0.884 63.996 63.100 0.020 0.000 0.790 368 P CB 0.127 31.863 31.700 0.060 0.000 0.780 369 A N -0.158 122.722 122.820 0.100 0.000 2.121 369 A HA -0.141 4.219 4.320 0.066 0.000 0.218 369 A C 1.853 179.466 177.584 0.047 0.000 1.154 369 A CA 1.379 53.487 52.037 0.117 0.000 0.679 369 A CB -0.537 18.651 19.000 0.313 0.000 0.795 369 A HN 0.071 nan 8.150 nan 0.000 0.458 370 E N -1.404 118.802 120.200 0.009 0.000 2.447 370 E HA 0.124 4.513 4.350 0.066 0.000 0.204 370 E C 1.505 178.046 176.600 -0.097 0.000 0.977 370 E CA 0.021 56.405 56.400 -0.028 0.000 0.950 370 E CB -0.188 29.509 29.700 -0.006 0.000 0.975 370 E HN 0.460 nan 8.360 nan 0.000 0.496 371 L N 1.046 122.193 121.223 -0.126 0.000 2.131 371 L HA -0.003 4.377 4.340 0.066 0.000 0.206 371 L C 2.253 178.939 176.870 -0.306 0.000 1.087 371 L CA 1.424 56.146 54.840 -0.197 0.000 0.767 371 L CB -0.031 41.909 42.059 -0.197 0.000 0.917 371 L HN -0.060 nan 8.230 nan 0.000 0.441 372 R N -1.111 119.199 120.500 -0.317 0.000 2.062 372 R HA -0.044 4.336 4.340 0.066 0.000 0.229 372 R C 2.265 178.038 176.300 -0.878 0.000 1.128 372 R CA 1.144 56.967 56.100 -0.461 0.000 0.960 372 R CB -0.656 29.550 30.300 -0.157 0.000 0.855 372 R HN 0.388 nan 8.270 nan 0.000 0.432 373 A N 1.514 124.028 122.820 -0.510 0.000 1.892 373 A HA -0.180 4.179 4.320 0.066 0.000 0.218 373 A C 2.138 179.568 177.584 -0.257 0.000 1.188 373 A CA 1.245 53.093 52.037 -0.314 0.000 0.631 373 A CB -0.635 18.363 19.000 -0.002 0.000 0.822 373 A HN 0.297 nan 8.150 nan 0.000 0.447 374 L N -0.822 120.278 121.223 -0.205 0.000 2.362 374 L HA -0.067 4.313 4.340 0.066 0.000 0.219 374 L C 1.071 177.870 176.870 -0.118 0.000 1.134 374 L CA 1.025 55.794 54.840 -0.117 0.000 0.807 374 L CB -0.098 41.902 42.059 -0.099 0.000 0.927 374 L HN 0.383 nan 8.230 nan 0.000 0.447 375 N N -1.450 117.115 118.700 -0.226 0.000 2.200 375 N HA 0.138 4.917 4.740 0.066 0.000 0.224 375 N C -0.129 175.415 175.510 0.058 0.000 1.179 375 N CA -0.131 52.860 53.050 -0.099 0.000 0.877 375 N CB 0.483 38.862 38.487 -0.180 0.000 1.072 375 N HN 0.118 nan 8.380 nan 0.000 0.519 376 F N 0.538 120.585 119.950 0.162 0.000 2.485 376 F HA 0.095 4.662 4.527 0.066 0.000 0.327 376 F C 1.075 176.877 175.800 0.002 0.000 1.203 376 F CA -0.613 57.443 58.000 0.093 0.000 1.295 376 F CB 0.307 39.344 39.000 0.063 0.000 1.191 376 F HN -0.024 nan 8.300 nan 0.000 0.588 377 Y N 0.425 120.896 120.300 0.285 0.000 2.511 377 Y HA -0.018 4.572 4.550 0.066 0.000 0.347 377 Y C 0.620 176.537 175.900 0.029 0.000 1.257 377 Y CA -0.393 57.773 58.100 0.109 0.000 1.469 377 Y CB 0.051 38.537 38.460 0.043 0.000 1.353 377 Y HN 0.380 nan 8.280 nan 0.000 0.617 378 D N 3.458 123.924 120.400 0.109 0.000 2.372 378 D HA 0.105 4.784 4.640 0.066 0.000 0.243 378 D C -2.259 174.046 176.300 0.008 0.000 1.121 378 D CA -1.087 52.931 54.000 0.029 0.000 0.898 378 D CB 0.500 41.283 40.800 -0.029 0.000 1.202 378 D HN 0.235 nan 8.370 nan 0.000 0.428 379 P HA 0.148 nan 4.420 nan 0.000 0.272 379 P C -2.441 174.847 177.300 -0.020 0.000 1.223 379 P CA -1.056 62.019 63.100 -0.043 0.000 0.784 379 P CB -0.417 31.263 31.700 -0.033 0.000 0.923 380 P HA 0.032 nan 4.420 nan 0.000 0.267 380 P C 0.036 177.338 177.300 0.003 0.000 1.200 380 P CA 0.711 63.811 63.100 0.000 0.000 0.772 380 P CB 0.046 31.753 31.700 0.011 0.000 0.855 399 K N 3.237 123.634 120.400 -0.005 0.000 2.402 399 K HA 0.116 4.476 4.320 0.066 0.000 0.285 399 K C -1.126 175.461 176.600 -0.022 0.000 1.054 399 K CA 0.641 56.923 56.287 -0.008 0.000 1.001 399 K CB 0.529 33.026 32.500 -0.006 0.000 0.946 399 K HN 0.223 nan 8.250 nan 0.000 0.473 400 T N 5.020 119.565 114.554 -0.014 0.000 2.794 400 T HA 0.231 4.621 4.350 0.066 0.000 0.280 400 T C -0.072 174.615 174.700 -0.021 0.000 0.987 400 T CA -0.594 61.492 62.100 -0.022 0.000 0.993 400 T CB 1.269 70.134 68.868 -0.005 0.000 0.939 400 T HN 0.462 nan 8.240 nan 0.000 0.449 401 Q N 1.544 121.309 119.800 -0.057 0.000 2.454 401 Q HA 0.438 4.818 4.340 0.066 0.000 0.247 401 Q C 0.555 176.615 176.000 0.101 0.000 1.028 401 Q CA -0.336 55.449 55.803 -0.029 0.000 0.910 401 Q CB 0.454 29.061 28.738 -0.218 0.000 1.276 401 Q HN 0.773 nan 8.270 nan 0.000 0.489 402 T N -2.740 111.958 114.554 0.239 0.000 2.924 402 T HA 0.524 4.913 4.350 0.066 0.000 0.291 402 T C 0.128 174.959 174.700 0.217 0.000 1.045 402 T CA -0.946 61.229 62.100 0.125 0.000 1.015 402 T CB 1.460 70.358 68.868 0.051 0.000 1.103 402 T HN 0.667 nan 8.240 nan 0.000 0.496 403 T N -0.860 113.634 114.554 -0.100 0.000 2.754 403 T HA 0.166 4.556 4.350 0.066 0.000 0.286 403 T C 1.577 176.205 174.700 -0.121 0.000 0.997 403 T CA -0.156 61.855 62.100 -0.149 0.000 0.982 403 T CB 0.077 68.427 68.868 -0.864 0.000 1.027 403 T HN 0.906 nan 8.240 nan 0.000 0.529 404 H N 0.010 119.078 119.070 -0.003 0.000 2.489 404 H HA -0.116 4.480 4.556 0.066 0.000 0.293 404 H C 1.413 176.792 175.328 0.086 0.000 1.066 404 H CA 1.519 57.622 56.048 0.091 0.000 1.305 404 H CB -0.991 28.899 29.762 0.214 0.000 1.386 404 H HN 0.927 nan 8.280 nan 0.000 0.551 405 Y N -0.281 119.745 120.300 -0.457 0.000 2.470 405 Y HA 0.463 5.053 4.550 0.066 0.000 0.302 405 Y C 1.374 177.144 175.900 -0.217 0.000 1.194 405 Y CA -0.443 57.411 58.100 -0.410 0.000 1.271 405 Y CB -0.267 37.830 38.460 -0.606 0.000 1.092 405 Y HN 0.214 nan 8.280 nan 0.000 0.513 406 G N 1.191 109.856 108.800 -0.225 0.000 2.314 406 G HA2 -0.319 3.681 3.960 0.066 0.000 0.292 406 G HA3 -0.319 3.681 3.960 0.066 0.000 0.292 406 G C -0.381 174.430 174.900 -0.147 0.000 1.059 406 G CA 0.409 45.436 45.100 -0.122 0.000 0.982 406 G HN 0.657 nan 8.290 nan 0.000 0.505 407 Q N -0.215 119.413 119.800 -0.288 0.000 2.321 407 Q HA 0.398 4.778 4.340 0.066 0.000 0.270 407 Q C 0.265 176.197 176.000 -0.113 0.000 1.032 407 Q CA -0.733 54.960 55.803 -0.184 0.000 0.784 407 Q CB 1.252 29.871 28.738 -0.199 0.000 1.264 407 Q HN 0.552 nan 8.270 nan 0.000 0.448 408 E N 1.235 121.419 120.200 -0.028 0.000 2.467 408 E HA 0.047 4.437 4.350 0.066 0.000 0.264 408 E C -0.761 175.857 176.600 0.029 0.000 1.020 408 E CA 0.242 56.642 56.400 0.001 0.000 0.945 408 E CB 0.883 30.594 29.700 0.019 0.000 0.942 408 E HN 0.325 nan 8.360 nan 0.000 0.449 409 V N 2.244 122.144 119.914 -0.023 0.000 2.383 409 V HA 0.238 4.398 4.120 0.066 0.000 0.261 409 V C 0.228 176.329 176.094 0.011 0.000 0.987 409 V CA -0.417 61.861 62.300 -0.037 0.000 0.853 409 V CB 0.930 32.478 31.823 -0.458 0.000 1.095 409 V HN 0.736 nan 8.190 nan 0.000 0.461 410 A N 0.853 123.715 122.820 0.069 0.000 2.476 410 A HA 0.307 4.666 4.320 0.066 0.000 0.263 410 A C 0.927 178.560 177.584 0.082 0.000 1.342 410 A CA 0.168 52.238 52.037 0.054 0.000 0.926 410 A CB -0.297 18.731 19.000 0.047 0.000 1.019 410 A HN 0.652 nan 8.150 nan 0.000 0.515 411 D N -1.469 119.012 120.400 0.136 0.000 2.422 411 D HA 0.082 4.762 4.640 0.066 0.000 0.218 411 D C 0.440 176.737 176.300 -0.006 0.000 1.047 411 D CA 0.010 54.141 54.000 0.219 0.000 0.885 411 D CB -0.286 40.840 40.800 0.542 0.000 1.035 411 D HN 0.303 nan 8.370 nan 0.000 0.502 412 C N 2.074 121.277 119.300 -0.162 0.000 2.601 412 C HA 0.138 4.638 4.460 0.066 0.000 0.405 412 C C 1.833 176.439 174.990 -0.639 0.000 1.441 412 C CA -0.092 58.545 59.018 -0.634 0.000 1.555 412 C CB -0.895 26.685 27.740 -0.266 0.000 2.450 412 C HN 0.307 nan 8.230 nan 0.000 0.614 413 V N 4.774 124.069 119.914 -1.031 0.000 3.528 413 V HA 0.170 4.330 4.120 0.066 0.000 0.294 413 V C 1.534 177.122 176.094 -0.843 0.000 1.404 413 V CA 0.522 62.386 62.300 -0.727 0.000 1.065 413 V CB -0.754 30.662 31.823 -0.679 0.000 0.904 413 V HN 0.835 nan 8.190 nan 0.000 0.435 414 L N 1.693 122.376 121.223 -0.899 0.000 2.127 414 L HA -0.020 4.360 4.340 0.066 0.000 0.211 414 L C 2.719 179.134 176.870 -0.758 0.000 1.089 414 L CA 1.977 56.267 54.840 -0.917 0.000 0.757 414 L CB -0.873 40.444 42.059 -1.236 0.000 0.899 414 L HN 0.526 nan 8.230 nan 0.000 0.434 415 G N -0.561 107.948 108.800 -0.485 0.000 2.587 415 G HA2 -0.291 3.709 3.960 0.066 0.000 0.217 415 G HA3 -0.291 3.709 3.960 0.066 0.000 0.217 415 G C 1.380 176.209 174.900 -0.119 0.000 1.240 415 G CA 0.802 45.803 45.100 -0.165 0.000 0.794 415 G HN 0.360 nan 8.290 nan 0.000 0.580 416 E N -0.235 119.894 120.200 -0.118 0.000 2.005 416 E HA -0.122 4.268 4.350 0.066 0.000 0.198 416 E C 2.505 179.062 176.600 -0.070 0.000 1.010 416 E CA 0.938 57.340 56.400 0.003 0.000 0.825 416 E CB -0.382 29.450 29.700 0.220 0.000 0.769 416 E HN 0.304 nan 8.360 nan 0.000 0.456 417 L N 0.810 121.777 121.223 -0.426 0.000 2.058 417 L HA -0.333 4.047 4.340 0.066 0.000 0.226 417 L C 2.370 179.132 176.870 -0.180 0.000 1.089 417 L CA 1.686 56.233 54.840 -0.489 0.000 0.799 417 L CB -0.303 41.142 42.059 -1.022 0.000 0.900 417 L HN 0.057 nan 8.230 nan 0.000 0.442 418 V N -1.089 118.699 119.914 -0.209 0.000 2.379 418 V HA -0.263 3.897 4.120 0.066 0.000 0.245 418 V C 2.462 178.549 176.094 -0.012 0.000 1.044 418 V CA 2.219 64.463 62.300 -0.092 0.000 1.036 418 V CB -0.668 31.134 31.823 -0.035 0.000 0.664 418 V HN 0.554 nan 8.190 nan 0.000 0.453 419 T N -0.297 114.268 114.554 0.018 0.000 2.684 419 T HA -0.255 4.135 4.350 0.066 0.000 0.267 419 T C 2.067 176.806 174.700 0.065 0.000 1.036 419 T CA 1.893 64.028 62.100 0.057 0.000 1.148 419 T CB -0.290 68.618 68.868 0.067 0.000 0.863 419 T HN 0.361 nan 8.240 nan 0.000 0.436 420 R N 0.312 120.862 120.500 0.083 0.000 2.105 420 R HA -0.082 4.298 4.340 0.066 0.000 0.239 420 R C 2.428 178.778 176.300 0.083 0.000 1.135 420 R CA 1.254 57.419 56.100 0.108 0.000 0.967 420 R CB -0.454 29.962 30.300 0.193 0.000 0.861 420 R HN 0.324 nan 8.270 nan 0.000 0.442 421 L N 1.157 122.414 121.223 0.057 0.000 2.005 421 L HA -0.168 4.212 4.340 0.066 0.000 0.207 421 L C 2.267 179.152 176.870 0.026 0.000 1.072 421 L CA 1.743 56.602 54.840 0.031 0.000 0.744 421 L CB -0.406 41.647 42.059 -0.011 0.000 0.895 421 L HN 0.202 nan 8.230 nan 0.000 0.433 422 Q N -0.515 119.292 119.800 0.012 0.000 2.112 422 Q HA -0.294 4.086 4.340 0.066 0.000 0.206 422 Q C 2.256 178.338 176.000 0.136 0.000 0.987 422 Q CA 2.193 58.033 55.803 0.062 0.000 0.858 422 Q CB -0.125 28.658 28.738 0.074 0.000 0.905 422 Q HN 0.397 nan 8.270 nan 0.000 0.420 423 K N 0.201 120.662 120.400 0.101 0.000 2.026 423 K HA -0.114 4.246 4.320 0.066 0.000 0.208 423 K C 2.263 178.909 176.600 0.077 0.000 1.048 423 K CA 1.593 57.934 56.287 0.090 0.000 0.929 423 K CB -0.169 32.375 32.500 0.072 0.000 0.713 423 K HN 0.221 nan 8.250 nan 0.000 0.439 424 S N -0.109 115.632 115.700 0.068 0.000 2.453 424 S HA -0.012 4.498 4.470 0.066 0.000 0.231 424 S C 1.976 176.611 174.600 0.059 0.000 1.005 424 S CA 0.805 59.039 58.200 0.057 0.000 0.949 424 S CB -0.031 63.201 63.200 0.053 0.000 0.774 424 S HN 0.228 nan 8.310 nan 0.000 0.510 425 A N 1.210 124.075 122.820 0.075 0.000 2.275 425 A HA 0.366 4.725 4.320 0.066 0.000 0.212 425 A C 0.915 178.567 177.584 0.113 0.000 1.201 425 A CA 0.305 52.394 52.037 0.085 0.000 0.843 425 A CB -0.765 18.285 19.000 0.084 0.000 0.873 425 A HN 0.609 nan 8.150 nan 0.000 0.492 426 N N -2.663 116.105 118.700 0.113 0.000 2.756 426 N HA -0.229 4.551 4.740 0.066 0.000 0.248 426 N C -0.001 175.583 175.510 0.124 0.000 1.062 426 N CA 0.886 53.992 53.050 0.094 0.000 0.696 426 N CB -2.188 36.329 38.487 0.051 0.000 0.946 426 N HN 0.433 nan 8.380 nan 0.000 0.548 427 F N -0.004 119.954 119.950 0.013 0.000 2.146 427 F HA 0.008 4.575 4.527 0.066 0.000 0.298 427 F C 2.131 177.938 175.800 0.011 0.000 1.096 427 F CA 2.014 60.021 58.000 0.012 0.000 1.275 427 F CB -0.371 38.643 39.000 0.023 0.000 1.008 427 F HN 0.283 nan 8.300 nan 0.000 0.480 428 T N -1.437 113.066 114.554 -0.084 0.000 2.978 428 T HA -0.079 4.311 4.350 0.066 0.000 0.262 428 T C 1.832 176.447 174.700 -0.142 0.000 1.063 428 T CA 1.535 63.529 62.100 -0.176 0.000 1.140 428 T CB -0.610 68.237 68.868 -0.036 0.000 0.886 428 T HN 0.225 nan 8.240 nan 0.000 0.470 429 T N 2.142 116.652 114.554 -0.072 0.000 2.737 429 T HA -0.011 4.378 4.350 0.066 0.000 0.265 429 T C 2.135 176.790 174.700 -0.075 0.000 1.038 429 T CA 0.699 62.767 62.100 -0.053 0.000 1.144 429 T CB -0.135 68.722 68.868 -0.017 0.000 0.866 429 T HN 0.288 nan 8.240 nan 0.000 0.434 430 R N 0.697 121.146 120.500 -0.086 0.000 2.091 430 R HA -0.008 4.372 4.340 0.066 0.000 0.238 430 R C 2.705 178.920 176.300 -0.141 0.000 1.136 430 R CA 1.237 57.281 56.100 -0.094 0.000 0.959 430 R CB -0.245 30.018 30.300 -0.063 0.000 0.856 430 R HN 0.263 nan 8.270 nan 0.000 0.437 431 R N 0.325 120.678 120.500 -0.244 0.000 2.115 431 R HA -0.078 4.302 4.340 0.066 0.000 0.230 431 R C 2.108 178.321 176.300 -0.145 0.000 1.111 431 R CA 1.366 57.309 56.100 -0.263 0.000 0.976 431 R CB -0.116 29.899 30.300 -0.475 0.000 0.870 431 R HN 0.214 nan 8.270 nan 0.000 0.445 432 A N 0.472 123.222 122.820 -0.117 0.000 1.929 432 A HA -0.130 4.230 4.320 0.066 0.000 0.216 432 A C 1.814 179.382 177.584 -0.026 0.000 1.176 432 A CA 1.328 53.328 52.037 -0.062 0.000 0.628 432 A CB -0.273 18.696 19.000 -0.052 0.000 0.816 432 A HN 0.418 nan 8.150 nan 0.000 0.444 433 E N -0.222 119.962 120.200 -0.028 0.000 2.106 433 E HA -0.124 4.265 4.350 0.066 0.000 0.192 433 E C 1.774 178.403 176.600 0.048 0.000 0.984 433 E CA 1.145 57.550 56.400 0.007 0.000 0.806 433 E CB -0.261 29.431 29.700 -0.014 0.000 0.750 433 E HN 0.699 nan 8.360 nan 0.000 0.458 434 I N 1.078 121.652 120.570 0.007 0.000 2.202 434 I HA -0.273 3.937 4.170 0.066 0.000 0.242 434 I C 2.536 178.726 176.117 0.122 0.000 1.091 434 I CA 0.965 62.295 61.300 0.051 0.000 1.368 434 I CB -0.330 37.653 38.000 -0.029 0.000 1.058 434 I HN 0.089 nan 8.210 nan 0.000 0.410 435 A N 0.840 123.689 122.820 0.049 0.000 1.917 435 A HA -0.270 4.089 4.320 0.066 0.000 0.219 435 A C 2.522 180.142 177.584 0.060 0.000 1.182 435 A CA 2.288 54.350 52.037 0.041 0.000 0.633 435 A CB -1.011 17.991 19.000 0.004 0.000 0.819 435 A HN 0.460 nan 8.150 nan 0.000 0.448 436 A N -1.602 121.259 122.820 0.069 0.000 1.835 436 A HA -0.179 4.181 4.320 0.066 0.000 0.215 436 A C 2.020 179.666 177.584 0.103 0.000 1.199 436 A CA 1.645 53.723 52.037 0.067 0.000 0.615 436 A CB -1.218 17.820 19.000 0.064 0.000 0.838 436 A HN 0.868 nan 8.150 nan 0.000 0.444 437 W N 1.386 122.668 121.300 -0.030 0.000 2.305 437 W HA -0.260 4.440 4.660 0.066 0.000 0.308 437 W C 1.791 178.293 176.519 -0.029 0.000 1.226 437 W CA 2.238 59.566 57.345 -0.027 0.000 1.253 437 W CB -0.224 29.220 29.460 -0.028 0.000 1.146 437 W HN 0.380 nan 8.180 nan 0.000 0.507 438 N N -0.118 118.709 118.700 0.212 0.000 2.223 438 N HA -0.174 4.605 4.740 0.066 0.000 0.185 438 N C 1.928 177.381 175.510 -0.096 0.000 1.016 438 N CA 1.989 55.072 53.050 0.055 0.000 0.863 438 N CB -0.867 37.694 38.487 0.124 0.000 0.983 438 N HN 0.344 nan 8.380 nan 0.000 0.429 439 S N -1.439 114.217 115.700 -0.074 0.000 2.436 439 S HA 0.011 4.521 4.470 0.066 0.000 0.228 439 S C 1.882 176.398 174.600 -0.140 0.000 1.014 439 S CA 0.896 59.044 58.200 -0.087 0.000 0.950 439 S CB -0.445 62.726 63.200 -0.048 0.000 0.784 439 S HN 0.133 nan 8.310 nan 0.000 0.504 440 T N 2.497 116.925 114.554 -0.210 0.000 2.857 440 T HA 0.076 4.465 4.350 0.066 0.000 0.266 440 T C 0.601 175.113 174.700 -0.313 0.000 1.048 440 T CA 0.912 62.860 62.100 -0.252 0.000 1.139 440 T CB -0.468 68.217 68.868 -0.305 0.000 0.874 440 T HN 0.576 nan 8.240 nan 0.000 0.455 441 N N 0.500 118.928 118.700 -0.452 0.000 2.495 441 N HA 0.414 5.194 4.740 0.066 0.000 0.280 441 N C 1.026 176.387 175.510 -0.249 0.000 1.168 441 N CA -0.622 52.174 53.050 -0.423 0.000 0.978 441 N CB 0.940 39.007 38.487 -0.701 0.000 1.191 441 N HN 0.280 nan 8.380 nan 0.000 0.497 442 R N -1.374 119.017 120.500 -0.182 0.000 2.556 442 R HA 0.231 4.611 4.340 0.066 0.000 0.276 442 R C 0.098 176.346 176.300 -0.087 0.000 0.931 442 R CA -0.051 55.981 56.100 -0.114 0.000 1.061 442 R CB 0.133 30.378 30.300 -0.092 0.000 1.432 442 R HN 0.346 nan 8.270 nan 0.000 0.547 443 T N 0.780 115.278 114.554 -0.094 0.000 2.978 443 T HA 0.382 4.772 4.350 0.066 0.000 0.248 443 T C 0.245 174.927 174.700 -0.031 0.000 1.018 443 T CA 0.221 62.288 62.100 -0.056 0.000 1.026 443 T CB 0.382 69.221 68.868 -0.048 0.000 1.032 443 T HN -0.025 nan 8.240 nan 0.000 0.485 444 L N 1.513 122.707 121.223 -0.049 0.000 2.356 444 L HA 0.789 5.169 4.340 0.066 0.000 0.277 444 L C -0.827 176.111 176.870 0.113 0.000 0.996 444 L CA -1.080 53.799 54.840 0.065 0.000 0.822 444 L CB 1.844 44.015 42.059 0.187 0.000 1.256 444 L HN 0.032 nan 8.230 nan 0.000 0.413 445 A N 3.919 126.858 122.820 0.198 0.000 2.343 445 A HA 0.742 5.102 4.320 0.066 0.000 0.308 445 A C -0.660 177.068 177.584 0.241 0.000 1.092 445 A CA -0.645 51.531 52.037 0.231 0.000 0.751 445 A CB 1.214 20.258 19.000 0.073 0.000 1.203 445 A HN 0.752 nan 8.150 nan 0.000 0.452 446 R N 0.635 121.310 120.500 0.292 0.000 2.500 446 R HA 0.654 5.034 4.340 0.066 0.000 0.277 446 R C 0.179 176.482 176.300 0.005 0.000 1.026 446 R CA -0.031 56.093 56.100 0.040 0.000 1.058 446 R CB 1.932 32.140 30.300 -0.154 0.000 1.078 446 R HN 0.860 nan 8.270 nan 0.000 0.509 447 G N 1.286 110.061 108.800 -0.042 0.000 2.667 447 G HA2 0.636 4.636 3.960 0.066 0.000 0.298 447 G HA3 0.636 4.636 3.960 0.066 0.000 0.298 447 G C -1.612 173.274 174.900 -0.024 0.000 1.377 447 G CA -0.455 44.622 45.100 -0.039 0.000 0.964 447 G HN 0.500 nan 8.290 nan 0.000 0.493 448 I N 0.277 120.854 120.570 0.012 0.000 2.802 448 I HA 0.815 5.025 4.170 0.066 0.000 0.298 448 I C -0.558 175.661 176.117 0.170 0.000 1.176 448 I CA -0.840 60.511 61.300 0.085 0.000 1.025 448 I CB 2.268 40.321 38.000 0.089 0.000 1.243 448 I HN 0.914 nan 8.210 nan 0.000 0.424 449 A N 6.032 128.983 122.820 0.219 0.000 2.610 449 A HA 0.676 5.035 4.320 0.066 0.000 0.291 449 A C -2.304 175.340 177.584 0.099 0.000 1.086 449 A CA -0.533 51.634 52.037 0.217 0.000 0.677 449 A CB 1.650 20.733 19.000 0.138 0.000 1.278 449 A HN 0.709 nan 8.150 nan 0.000 0.414 450 L N 1.133 122.358 121.223 0.003 0.000 2.313 450 L HA 0.771 5.151 4.340 0.066 0.000 0.283 450 L C -0.155 176.733 176.870 0.030 0.000 1.013 450 L CA -0.208 54.564 54.840 -0.113 0.000 0.816 450 L CB 1.676 43.529 42.059 -0.344 0.000 1.236 450 L HN 0.756 nan 8.230 nan 0.000 0.419 451 S N 6.552 122.287 115.700 0.058 0.000 2.473 451 S HA 0.764 5.274 4.470 0.066 0.000 0.307 451 S C -2.764 171.909 174.600 0.121 0.000 1.094 451 S CA -1.395 56.879 58.200 0.123 0.000 1.070 451 S CB 1.653 64.939 63.200 0.142 0.000 1.019 451 S HN 0.488 nan 8.310 nan 0.000 0.480 452 P HA 0.494 nan 4.420 nan 0.000 0.292 452 P C -1.373 175.992 177.300 0.109 0.000 1.300 452 P CA -0.752 62.427 63.100 0.132 0.000 0.900 452 P CB 1.463 33.312 31.700 0.248 0.000 1.139 453 V N 2.717 122.681 119.914 0.083 0.000 2.417 453 V HA 0.472 4.631 4.120 0.066 0.000 0.291 453 V C 0.226 176.358 176.094 0.062 0.000 1.024 453 V CA -0.406 61.953 62.300 0.098 0.000 0.861 453 V CB 1.453 33.356 31.823 0.134 0.000 0.985 453 V HN 0.551 nan 8.190 nan 0.000 0.436 454 K N 4.638 125.070 120.400 0.054 0.000 2.502 454 K HA 0.574 4.933 4.320 0.066 0.000 0.254 454 K C -2.147 174.516 176.600 0.105 0.000 0.947 454 K CA -0.485 55.739 56.287 -0.104 0.000 0.834 454 K CB 1.476 33.921 32.500 -0.092 0.000 1.112 454 K HN 0.525 nan 8.250 nan 0.000 0.427 455 F N 2.781 122.653 119.950 -0.131 0.000 2.536 455 F HA 0.460 5.027 4.527 0.066 0.000 0.322 455 F C 0.054 175.787 175.800 -0.111 0.000 1.144 455 F CA -0.428 57.577 58.000 0.008 0.000 0.924 455 F CB 1.725 40.682 39.000 -0.072 0.000 1.181 455 F HN 0.649 nan 8.300 nan 0.000 0.438 456 G N 5.991 114.374 108.800 -0.695 0.000 2.483 456 G HA2 0.439 4.438 3.960 0.066 0.000 0.248 456 G HA3 0.439 4.438 3.960 0.066 0.000 0.248 456 G C -0.856 173.118 174.900 -1.543 0.000 1.248 456 G CA -0.412 43.675 45.100 -1.688 0.000 0.838 456 G HN 0.489 nan 8.290 nan 0.000 0.566 457 I N 0.816 120.675 120.570 -1.186 0.000 2.406 457 I HA 0.617 4.827 4.170 0.066 0.000 0.290 457 I C 0.286 176.152 176.117 -0.418 0.000 0.999 457 I CA -0.176 60.664 61.300 -0.768 0.000 1.124 457 I CB 0.694 38.068 38.000 -1.044 0.000 1.289 457 I HN 0.588 nan 8.210 nan 0.000 0.441 458 S N 3.994 119.531 115.700 -0.271 0.000 2.523 458 S HA 0.151 4.660 4.470 0.066 0.000 0.283 458 S C -0.989 173.506 174.600 -0.175 0.000 0.748 458 S CA -0.889 57.224 58.200 -0.144 0.000 1.321 458 S CB -0.043 63.149 63.200 -0.014 0.000 1.633 458 S HN 0.329 nan 8.310 nan 0.000 0.439 459 F N 2.167 122.088 119.950 -0.048 0.000 2.412 459 F HA 0.251 4.818 4.527 0.065 0.000 0.348 459 F C 2.164 177.957 175.800 -0.012 0.000 1.102 459 F CA 0.578 58.536 58.000 -0.070 0.000 1.196 459 F CB 1.273 40.200 39.000 -0.122 0.000 1.144 459 F HN 0.799 nan 8.300 nan 0.000 0.541 460 T N 0.233 114.932 114.554 0.242 0.000 2.857 460 T HA -0.064 4.326 4.350 0.066 0.000 0.266 460 T C 0.674 175.608 174.700 0.391 0.000 1.048 460 T CA 0.642 62.920 62.100 0.298 0.000 1.139 460 T CB -0.345 68.740 68.868 0.363 0.000 0.874 460 T HN 0.261 nan 8.240 nan 0.000 0.455 461 L N 3.610 124.964 121.223 0.219 0.000 2.401 461 L HA 0.313 4.693 4.340 0.066 0.000 0.283 461 L C 1.910 178.760 176.870 -0.033 0.000 1.151 461 L CA -0.243 54.641 54.840 0.073 0.000 0.942 461 L CB 0.238 42.285 42.059 -0.021 0.000 1.283 461 L HN 0.310 nan 8.230 nan 0.000 0.442 462 T N -2.700 111.906 114.554 0.087 0.000 2.881 462 T HA -0.226 4.164 4.350 0.066 0.000 0.270 462 T C 1.728 176.437 174.700 0.015 0.000 1.068 462 T CA 1.419 63.572 62.100 0.088 0.000 1.131 462 T CB -0.512 68.441 68.868 0.141 0.000 0.871 462 T HN 0.714 nan 8.240 nan 0.000 0.479 463 H N 0.983 120.066 119.070 0.022 0.000 2.543 463 H HA 0.087 4.682 4.556 0.066 0.000 0.286 463 H C 1.850 177.159 175.328 -0.032 0.000 1.037 463 H CA 0.453 56.501 56.048 -0.000 0.000 1.250 463 H CB -0.499 29.261 29.762 -0.003 0.000 1.373 463 H HN 0.298 nan 8.280 nan 0.000 0.580 464 L N 1.252 122.185 121.223 -0.484 0.000 2.376 464 L HA -0.046 4.334 4.340 0.066 0.000 0.219 464 L C 0.622 177.352 176.870 -0.234 0.000 1.133 464 L CA 0.563 55.102 54.840 -0.501 0.000 0.816 464 L CB -0.625 40.870 42.059 -0.939 0.000 0.933 464 L HN 0.333 nan 8.230 nan 0.000 0.449 465 N N 2.233 120.914 118.700 -0.031 0.000 3.103 465 N HA 0.049 4.828 4.740 0.066 0.000 0.305 465 N C -0.284 175.190 175.510 -0.060 0.000 1.232 465 N CA 0.107 53.192 53.050 0.058 0.000 1.190 465 N CB 0.245 38.774 38.487 0.069 0.000 1.461 465 N HN 0.540 nan 8.380 nan 0.000 0.538 466 Q N -0.236 119.520 119.800 -0.072 0.000 2.359 466 Q HA 0.814 5.193 4.340 0.066 0.000 0.274 466 Q C -1.568 174.348 176.000 -0.140 0.000 1.074 466 Q CA -1.181 54.496 55.803 -0.209 0.000 0.810 466 Q CB 2.252 30.951 28.738 -0.065 0.000 1.342 466 Q HN 0.129 nan 8.270 nan 0.000 0.427 467 A N 0.865 123.526 122.820 -0.264 0.000 2.498 467 A HA 0.982 5.342 4.320 0.066 0.000 0.298 467 A C -0.822 176.752 177.584 -0.017 0.000 1.075 467 A CA -0.327 51.679 52.037 -0.052 0.000 0.714 467 A CB 2.106 21.125 19.000 0.033 0.000 1.299 467 A HN 0.863 nan 8.150 nan 0.000 0.407 468 G N -0.598 108.283 108.800 0.135 0.000 2.682 468 G HA2 0.800 4.799 3.960 0.066 0.000 0.300 468 G HA3 0.800 4.799 3.960 0.066 0.000 0.300 468 G C -0.766 174.242 174.900 0.181 0.000 1.391 468 G CA 0.204 45.436 45.100 0.220 0.000 0.990 468 G HN 1.724 nan 8.290 nan 0.000 0.501 469 A N 0.593 123.512 122.820 0.164 0.000 2.454 469 A HA 0.864 5.223 4.320 0.066 0.000 0.302 469 A C -1.630 176.014 177.584 0.100 0.000 1.079 469 A CA -0.718 51.403 52.037 0.141 0.000 0.731 469 A CB 2.147 21.220 19.000 0.121 0.000 1.299 469 A HN 1.456 nan 8.150 nan 0.000 0.413 470 L N 2.022 123.290 121.223 0.074 0.000 2.446 470 L HA 0.640 5.020 4.340 0.066 0.000 0.268 470 L C -1.469 175.410 176.870 0.016 0.000 0.975 470 L CA -0.212 54.651 54.840 0.038 0.000 0.848 470 L CB 1.769 43.845 42.059 0.029 0.000 1.225 470 L HN 0.441 nan 8.230 nan 0.000 0.410 471 V N 4.541 124.454 119.914 -0.002 0.000 2.417 471 V HA 0.596 4.756 4.120 0.066 0.000 0.291 471 V C -0.546 175.499 176.094 -0.080 0.000 1.024 471 V CA -0.645 61.639 62.300 -0.025 0.000 0.861 471 V CB 1.588 33.404 31.823 -0.011 0.000 0.985 471 V HN 0.647 nan 8.190 nan 0.000 0.436 472 Q N 4.750 124.467 119.800 -0.138 0.000 2.322 472 Q HA 0.617 4.996 4.340 0.066 0.000 0.265 472 Q C -0.872 174.910 176.000 -0.364 0.000 0.985 472 Q CA -0.340 55.271 55.803 -0.321 0.000 0.849 472 Q CB 2.829 31.278 28.738 -0.482 0.000 1.274 472 Q HN 0.674 nan 8.270 nan 0.000 0.449 473 I N 2.922 123.287 120.570 -0.342 0.000 2.362 473 I HA 0.337 4.546 4.170 0.066 0.000 0.289 473 I C -0.499 175.427 176.117 -0.317 0.000 0.994 473 I CA -0.904 60.273 61.300 -0.204 0.000 1.158 473 I CB 0.656 38.647 38.000 -0.016 0.000 1.315 473 I HN 0.460 nan 8.210 nan 0.000 0.451 474 Y N 2.549 122.851 120.300 0.002 0.000 2.374 474 Y HA 0.129 4.718 4.550 0.065 0.000 0.322 474 Y C 1.928 177.788 175.900 -0.068 0.000 1.275 474 Y CA -0.563 57.507 58.100 -0.051 0.000 1.307 474 Y CB 1.144 39.576 38.460 -0.047 0.000 1.282 474 Y HN 0.613 nan 8.280 nan 0.000 0.509 475 T N -3.496 111.074 114.554 0.028 0.000 3.155 475 T HA -0.121 4.268 4.350 0.066 0.000 0.264 475 T C 0.640 175.338 174.700 -0.004 0.000 1.160 475 T CA 1.042 63.089 62.100 -0.088 0.000 1.075 475 T CB -0.375 68.304 68.868 -0.316 0.000 0.921 475 T HN 0.755 nan 8.240 nan 0.000 0.533 476 D N 0.061 120.493 120.400 0.054 0.000 2.392 476 D HA 0.237 4.917 4.640 0.066 0.000 0.206 476 D C 1.666 178.032 176.300 0.110 0.000 1.046 476 D CA 0.683 54.720 54.000 0.063 0.000 0.865 476 D CB -0.375 40.451 40.800 0.042 0.000 0.969 476 D HN 0.528 nan 8.370 nan 0.000 0.509 477 G N 0.460 109.353 108.800 0.155 0.000 2.284 477 G HA2 -0.206 3.794 3.960 0.066 0.000 0.201 477 G HA3 -0.206 3.794 3.960 0.066 0.000 0.201 477 G C 0.280 175.330 174.900 0.250 0.000 0.998 477 G CA 0.164 45.419 45.100 0.258 0.000 0.651 477 G HN 0.725 nan 8.290 nan 0.000 0.489 478 S N 0.484 116.297 115.700 0.188 0.000 2.548 478 S HA 0.664 5.173 4.470 0.066 0.000 0.277 478 S C 0.408 175.136 174.600 0.214 0.000 1.315 478 S CA 0.098 58.396 58.200 0.164 0.000 1.050 478 S CB 1.867 65.144 63.200 0.128 0.000 0.918 478 S HN 1.852 nan 8.310 nan 0.000 0.497 479 V N -0.201 119.789 119.914 0.127 0.000 2.732 479 V HA 0.961 5.121 4.120 0.066 0.000 0.310 479 V C -0.086 176.064 176.094 0.094 0.000 1.053 479 V CA -0.919 61.428 62.300 0.078 0.000 0.957 479 V CB 1.049 32.886 31.823 0.023 0.000 1.018 479 V HN 1.317 nan 8.190 nan 0.000 0.452 480 A N 4.867 127.731 122.820 0.073 0.000 2.363 480 A HA 0.743 5.103 4.320 0.066 0.000 0.296 480 A C -0.876 176.721 177.584 0.022 0.000 1.237 480 A CA -0.512 51.579 52.037 0.091 0.000 0.773 480 A CB 0.962 20.101 19.000 0.233 0.000 1.153 480 A HN 1.469 nan 8.150 nan 0.000 0.473 481 L N 2.630 123.858 121.223 0.009 0.000 2.350 481 L HA 0.558 4.938 4.340 0.066 0.000 0.275 481 L C -0.193 176.674 176.870 -0.006 0.000 1.099 481 L CA 0.023 54.871 54.840 0.013 0.000 0.808 481 L CB 0.931 43.011 42.059 0.034 0.000 1.149 481 L HN 0.708 nan 8.230 nan 0.000 0.442 482 N N 1.826 120.536 118.700 0.017 0.000 2.235 482 N HA 0.457 5.236 4.740 0.066 0.000 0.293 482 N C -1.589 173.958 175.510 0.062 0.000 1.083 482 N CA -0.385 52.645 53.050 -0.033 0.000 0.801 482 N CB 1.574 40.042 38.487 -0.032 0.000 1.559 482 N HN 0.968 nan 8.380 nan 0.000 0.472 483 H N -1.258 117.822 119.070 0.018 0.000 2.942 483 H HA 0.486 5.084 4.556 0.071 0.000 0.316 483 H C 0.751 176.122 175.328 0.071 0.000 1.323 483 H CA -0.745 55.334 56.048 0.052 0.000 1.144 483 H CB 0.583 30.381 29.762 0.059 0.000 1.866 483 H HN 0.408 nan 8.280 nan 0.000 0.545 484 G N -0.581 108.353 108.800 0.225 0.000 2.511 484 G HA2 0.188 4.187 3.960 0.066 0.000 0.217 484 G HA3 0.188 4.187 3.960 0.066 0.000 0.217 484 G C 0.708 175.700 174.900 0.152 0.000 1.133 484 G CA 0.147 45.332 45.100 0.143 0.000 0.792 484 G HN 0.853 nan 8.290 nan 0.000 0.539 485 G N 0.246 109.248 108.800 0.337 0.000 2.467 485 G HA2 0.434 4.434 3.960 0.066 0.000 0.257 485 G HA3 0.434 4.434 3.960 0.066 0.000 0.257 485 G C 0.077 175.091 174.900 0.191 0.000 1.227 485 G CA 0.361 45.632 45.100 0.286 0.000 0.835 485 G HN 0.354 nan 8.290 nan 0.000 0.556 486 T N -0.952 113.656 114.554 0.090 0.000 2.794 486 T HA 0.501 4.891 4.350 0.066 0.000 0.280 486 T C -0.225 174.420 174.700 -0.092 0.000 0.987 486 T CA -0.799 61.314 62.100 0.023 0.000 0.993 486 T CB 2.124 71.001 68.868 0.015 0.000 0.939 486 T HN 0.475 nan 8.240 nan 0.000 0.449 487 E N 3.353 123.419 120.200 -0.223 0.000 2.223 487 E HA 0.339 4.729 4.350 0.066 0.000 0.282 487 E C 0.515 177.069 176.600 -0.076 0.000 1.046 487 E CA -0.434 55.805 56.400 -0.269 0.000 0.857 487 E CB 0.504 29.946 29.700 -0.430 0.000 1.055 487 E HN 0.792 nan 8.360 nan 0.000 0.409 488 M N 2.505 122.063 119.600 -0.071 0.000 2.511 488 M HA 0.482 5.002 4.480 0.066 0.000 0.387 488 M C 0.795 177.035 176.300 -0.101 0.000 1.112 488 M CA 0.079 55.324 55.300 -0.093 0.000 0.921 488 M CB 0.931 33.425 32.600 -0.177 0.000 1.501 488 M HN 0.591 nan 8.290 nan 0.000 0.538 489 G N 1.612 110.408 108.800 -0.006 0.000 2.428 489 G HA2 -0.256 3.744 3.960 0.066 0.000 0.199 489 G HA3 -0.256 3.744 3.960 0.066 0.000 0.199 489 G C 0.893 175.842 174.900 0.082 0.000 1.005 489 G CA 0.244 45.346 45.100 0.003 0.000 0.671 489 G HN 0.547 nan 8.290 nan 0.000 0.485 490 Q N 2.052 121.883 119.800 0.052 0.000 2.561 490 Q HA 0.232 4.611 4.340 0.066 0.000 0.217 490 Q C 1.612 177.679 176.000 0.111 0.000 0.980 490 Q CA 1.712 57.555 55.803 0.067 0.000 0.927 490 Q CB -0.791 27.959 28.738 0.020 0.000 0.980 490 Q HN 2.070 nan 8.270 nan 0.000 0.525 491 G N 1.563 110.485 108.800 0.204 0.000 2.198 491 G HA2 -0.294 3.706 3.960 0.066 0.000 0.257 491 G HA3 -0.294 3.706 3.960 0.066 0.000 0.257 491 G C 0.312 175.207 174.900 -0.008 0.000 1.042 491 G CA 0.379 45.562 45.100 0.139 0.000 0.791 491 G HN 0.423 nan 8.290 nan 0.000 0.502 492 L N -0.090 121.110 121.223 -0.038 0.000 2.017 492 L HA 0.018 4.398 4.340 0.066 0.000 0.208 492 L C 2.530 179.412 176.870 0.021 0.000 1.073 492 L CA 2.886 57.699 54.840 -0.044 0.000 0.745 492 L CB -0.483 41.534 42.059 -0.070 0.000 0.894 492 L HN 0.414 nan 8.230 nan 0.000 0.432 493 H N -0.225 118.859 119.070 0.024 0.000 2.357 493 H HA 0.050 4.645 4.556 0.065 0.000 0.301 493 H C 2.213 177.511 175.328 -0.051 0.000 1.082 493 H CA 1.153 57.228 56.048 0.045 0.000 1.342 493 H CB -0.805 28.968 29.762 0.018 0.000 1.389 493 H HN 0.482 nan 8.280 nan 0.000 0.511 494 A N 1.602 124.408 122.820 -0.023 0.000 1.873 494 A HA -0.256 4.104 4.320 0.066 0.000 0.218 494 A C 2.332 179.894 177.584 -0.036 0.000 1.193 494 A CA 2.201 54.197 52.037 -0.068 0.000 0.629 494 A CB -0.432 18.494 19.000 -0.122 0.000 0.826 494 A HN 0.395 nan 8.150 nan 0.000 0.447 495 K N -1.230 119.152 120.400 -0.031 0.000 2.097 495 K HA -0.077 4.283 4.320 0.066 0.000 0.206 495 K C 1.983 178.556 176.600 -0.046 0.000 1.049 495 K CA 1.456 57.720 56.287 -0.038 0.000 0.933 495 K CB -0.225 32.256 32.500 -0.031 0.000 0.717 495 K HN 0.389 nan 8.250 nan 0.000 0.442 496 M N 0.233 119.806 119.600 -0.045 0.000 2.288 496 M HA -0.063 4.457 4.480 0.066 0.000 0.266 496 M C 2.203 178.488 176.300 -0.024 0.000 1.072 496 M CA 1.040 56.292 55.300 -0.081 0.000 1.132 496 M CB -0.483 31.984 32.600 -0.221 0.000 1.386 496 M HN -0.076 nan 8.290 nan 0.000 0.432 497 V N 0.226 120.138 119.914 -0.004 0.000 2.379 497 V HA -0.234 3.925 4.120 0.066 0.000 0.245 497 V C 2.394 178.464 176.094 -0.040 0.000 1.044 497 V CA 1.462 63.752 62.300 -0.017 0.000 1.036 497 V CB -0.535 31.277 31.823 -0.017 0.000 0.664 497 V HN 0.487 nan 8.190 nan 0.000 0.453 498 Q N -0.730 119.038 119.800 -0.053 0.000 2.096 498 Q HA -0.185 4.194 4.340 0.066 0.000 0.204 498 Q C 2.317 178.258 176.000 -0.100 0.000 0.982 498 Q CA 1.985 57.737 55.803 -0.084 0.000 0.850 498 Q CB -0.218 28.461 28.738 -0.098 0.000 0.901 498 Q HN 0.526 nan 8.270 nan 0.000 0.422 499 V N 0.572 120.448 119.914 -0.063 0.000 2.270 499 V HA -0.287 3.873 4.120 0.066 0.000 0.245 499 V C 2.240 178.356 176.094 0.037 0.000 1.043 499 V CA 1.814 64.120 62.300 0.010 0.000 1.014 499 V CB -1.044 30.825 31.823 0.076 0.000 0.645 499 V HN 0.439 nan 8.190 nan 0.000 0.447 500 A N 0.154 122.979 122.820 0.007 0.000 1.873 500 A HA -0.250 4.109 4.320 0.066 0.000 0.218 500 A C 2.417 179.988 177.584 -0.023 0.000 1.193 500 A CA 2.676 54.713 52.037 0.000 0.000 0.629 500 A CB -1.037 17.960 19.000 -0.006 0.000 0.826 500 A HN 0.625 nan 8.150 nan 0.000 0.447 501 A N -0.546 122.246 122.820 -0.047 0.000 1.933 501 A HA 0.172 4.532 4.320 0.066 0.000 0.218 501 A C 2.490 180.036 177.584 -0.063 0.000 1.175 501 A CA 2.140 54.132 52.037 -0.076 0.000 0.628 501 A CB -0.954 17.998 19.000 -0.080 0.000 0.814 501 A HN 1.112 nan 8.150 nan 0.000 0.444 502 A N -0.465 122.326 122.820 -0.048 0.000 1.873 502 A HA 0.005 4.365 4.320 0.066 0.000 0.215 502 A C 2.189 179.806 177.584 0.055 0.000 1.186 502 A CA 1.743 53.762 52.037 -0.030 0.000 0.616 502 A CB -0.965 17.956 19.000 -0.131 0.000 0.823 502 A HN 0.430 nan 8.150 nan 0.000 0.442 503 V N 0.096 120.063 119.914 0.088 0.000 2.407 503 V HA -0.232 3.928 4.120 0.066 0.000 0.248 503 V C 2.402 178.508 176.094 0.020 0.000 1.055 503 V CA 1.844 64.194 62.300 0.082 0.000 1.049 503 V CB -0.728 31.132 31.823 0.061 0.000 0.662 503 V HN 0.544 nan 8.190 nan 0.000 0.455 504 L N -0.036 121.180 121.223 -0.013 0.000 2.341 504 L HA 0.254 4.633 4.340 0.066 0.000 0.214 504 L C 1.828 178.718 176.870 0.034 0.000 1.115 504 L CA 0.941 55.760 54.840 -0.035 0.000 0.820 504 L CB -0.478 41.502 42.059 -0.131 0.000 0.944 504 L HN 0.564 nan 8.230 nan 0.000 0.452 505 G N 1.361 110.174 108.800 0.022 0.000 2.137 505 G HA2 -0.266 3.734 3.960 0.066 0.000 0.237 505 G HA3 -0.266 3.734 3.960 0.066 0.000 0.237 505 G C 0.303 175.190 174.900 -0.021 0.000 1.002 505 G CA 0.532 45.672 45.100 0.067 0.000 0.702 505 G HN 0.446 nan 8.290 nan 0.000 0.515 506 I N -3.428 117.050 120.570 -0.153 0.000 3.204 506 I HA 0.730 4.940 4.170 0.066 0.000 0.313 506 I C -0.011 176.033 176.117 -0.122 0.000 1.082 506 I CA -1.298 59.873 61.300 -0.215 0.000 1.033 506 I CB 1.139 38.869 38.000 -0.450 0.000 1.304 506 I HN -0.044 nan 8.210 nan 0.000 0.536 507 D N 2.683 123.023 120.400 -0.101 0.000 2.351 507 D HA 0.194 4.873 4.640 0.066 0.000 0.251 507 D C -1.714 174.542 176.300 -0.073 0.000 1.137 507 D CA -1.909 52.051 54.000 -0.066 0.000 0.879 507 D CB 1.701 42.476 40.800 -0.043 0.000 1.181 507 D HN 0.336 nan 8.370 nan 0.000 0.448 508 P HA -0.107 nan 4.420 nan 0.000 0.229 508 P C 1.495 178.767 177.300 -0.046 0.000 1.150 508 P CA 0.317 63.383 63.100 -0.057 0.000 0.765 508 P CB 0.438 32.105 31.700 -0.054 0.000 0.783 509 V N 0.500 120.391 119.914 -0.040 0.000 2.379 509 V HA -0.187 3.972 4.120 0.066 0.000 0.245 509 V C 2.594 178.673 176.094 -0.025 0.000 1.044 509 V CA 1.591 63.874 62.300 -0.029 0.000 1.036 509 V CB -1.080 30.730 31.823 -0.022 0.000 0.664 509 V HN 0.145 nan 8.190 nan 0.000 0.453 510 Q N -0.092 119.687 119.800 -0.034 0.000 2.508 510 Q HA -0.037 4.343 4.340 0.066 0.000 0.214 510 Q C 0.352 176.341 176.000 -0.017 0.000 0.979 510 Q CA 0.615 56.403 55.803 -0.025 0.000 0.911 510 Q CB -0.030 28.674 28.738 -0.057 0.000 0.969 510 Q HN 0.489 nan 8.270 nan 0.000 0.504 511 V N 1.693 121.591 119.914 -0.027 0.000 2.328 511 V HA 0.277 4.437 4.120 0.066 0.000 0.278 511 V C -0.003 176.084 176.094 -0.013 0.000 1.021 511 V CA -0.713 61.575 62.300 -0.019 0.000 0.838 511 V CB 1.432 33.235 31.823 -0.034 0.000 0.999 511 V HN 0.021 nan 8.190 nan 0.000 0.447 512 R N 3.825 124.327 120.500 0.003 0.000 2.486 512 R HA 0.647 5.027 4.340 0.066 0.000 0.286 512 R C -0.828 175.455 176.300 -0.028 0.000 0.999 512 R CA -0.479 55.615 56.100 -0.010 0.000 0.993 512 R CB 1.371 31.676 30.300 0.008 0.000 1.084 512 R HN 0.689 nan 8.270 nan 0.000 0.487 513 I N 2.502 123.030 120.570 -0.071 0.000 2.392 513 I HA 0.386 4.596 4.170 0.066 0.000 0.295 513 I C -0.713 175.311 176.117 -0.156 0.000 0.985 513 I CA 0.205 61.417 61.300 -0.147 0.000 1.221 513 I CB 1.782 39.626 38.000 -0.260 0.000 1.366 513 I HN 0.793 nan 8.210 nan 0.000 0.467 514 T N 5.624 120.077 114.554 -0.168 0.000 2.927 514 T HA 0.734 5.124 4.350 0.066 0.000 0.281 514 T C 0.109 174.700 174.700 -0.180 0.000 0.998 514 T CA -0.570 61.454 62.100 -0.127 0.000 1.019 514 T CB 1.194 70.018 68.868 -0.073 0.000 1.061 514 T HN 0.828 nan 8.240 nan 0.000 0.518 515 A N 1.683 124.445 122.820 -0.096 0.000 2.498 515 A HA 0.436 4.795 4.320 0.066 0.000 0.239 515 A C 0.800 178.341 177.584 -0.070 0.000 1.068 515 A CA -0.479 51.523 52.037 -0.058 0.000 0.766 515 A CB -0.583 18.417 19.000 -0.001 0.000 1.003 515 A HN 0.805 nan 8.150 nan 0.000 0.497 516 T N 2.362 116.886 114.554 -0.050 0.000 2.866 516 T HA 0.258 4.648 4.350 0.066 0.000 0.293 516 T C -0.245 174.440 174.700 -0.024 0.000 1.005 516 T CA 1.029 63.100 62.100 -0.049 0.000 1.162 516 T CB -0.057 68.810 68.868 -0.002 0.000 0.968 516 T HN 0.714 nan 8.240 nan 0.000 0.530 517 D N 1.045 121.430 120.400 -0.025 0.000 2.896 517 D HA 0.334 5.014 4.640 0.066 0.000 0.241 517 D C 1.302 177.599 176.300 -0.005 0.000 1.188 517 D CA -0.607 53.382 54.000 -0.019 0.000 0.879 517 D CB 1.318 42.107 40.800 -0.019 0.000 1.553 517 D HN 0.391 nan 8.370 nan 0.000 0.515 518 T N -0.248 114.300 114.554 -0.011 0.000 2.833 518 T HA -0.148 4.241 4.350 0.066 0.000 0.269 518 T C 1.617 176.326 174.700 0.015 0.000 1.054 518 T CA 1.252 63.353 62.100 0.002 0.000 1.135 518 T CB -0.283 68.572 68.868 -0.022 0.000 0.869 518 T HN 0.320 nan 8.240 nan 0.000 0.466 519 S N -0.564 115.140 115.700 0.006 0.000 2.577 519 S HA 0.364 4.874 4.470 0.066 0.000 0.219 519 S C 1.382 175.992 174.600 0.016 0.000 0.962 519 S CA -0.485 57.724 58.200 0.016 0.000 0.921 519 S CB 0.106 63.310 63.200 0.008 0.000 0.789 519 S HN 0.376 nan 8.310 nan 0.000 0.497 520 K N 0.587 120.996 120.400 0.015 0.000 2.267 520 K HA 0.401 4.761 4.320 0.066 0.000 0.213 520 K C -0.284 176.336 176.600 0.033 0.000 1.060 520 K CA 0.470 56.768 56.287 0.018 0.000 0.935 520 K CB 0.358 32.862 32.500 0.006 0.000 1.096 520 K HN 0.193 nan 8.250 nan 0.000 0.468 521 V N 4.241 124.179 119.914 0.041 0.000 2.357 521 V HA 0.365 4.525 4.120 0.066 0.000 0.284 521 V C -2.536 173.603 176.094 0.075 0.000 1.018 521 V CA -1.845 60.497 62.300 0.070 0.000 0.841 521 V CB 1.369 33.245 31.823 0.088 0.000 0.991 521 V HN 0.182 nan 8.190 nan 0.000 0.437 522 P HA 0.465 nan 4.420 nan 0.000 0.287 522 P C -0.366 177.003 177.300 0.115 0.000 1.279 522 P CA -0.598 62.555 63.100 0.088 0.000 0.867 522 P CB 0.881 32.628 31.700 0.079 0.000 1.127 523 N N -2.141 116.631 118.700 0.120 0.000 2.747 523 N HA -0.109 4.671 4.740 0.066 0.000 0.249 523 N C -0.040 175.556 175.510 0.143 0.000 1.107 523 N CA 1.173 54.309 53.050 0.144 0.000 0.707 523 N CB -2.435 36.140 38.487 0.147 0.000 1.054 523 N HN 0.702 nan 8.380 nan 0.000 0.555 524 T N -2.278 112.352 114.554 0.127 0.000 2.926 524 T HA 0.429 4.819 4.350 0.066 0.000 0.307 524 T C 0.789 175.521 174.700 0.053 0.000 1.059 524 T CA -0.295 61.862 62.100 0.096 0.000 1.122 524 T CB 1.397 70.319 68.868 0.090 0.000 0.972 524 T HN 0.141 nan 8.240 nan 0.000 0.545 525 S N 1.356 117.001 115.700 -0.091 0.000 2.645 525 S HA 0.609 5.119 4.470 0.066 0.000 0.266 525 S C 0.725 174.970 174.600 -0.592 0.000 1.258 525 S CA -0.668 57.315 58.200 -0.363 0.000 0.990 525 S CB 0.582 63.496 63.200 -0.478 0.000 0.967 525 S HN 1.161 nan 8.310 nan 0.000 0.556 526 A N 1.428 123.584 122.820 -1.106 0.000 2.531 526 A HA 0.316 4.676 4.320 0.066 0.000 0.236 526 A C 0.491 177.994 177.584 -0.135 0.000 1.062 526 A CA -0.151 51.472 52.037 -0.689 0.000 0.760 526 A CB -0.443 18.284 19.000 -0.455 0.000 0.995 526 A HN 0.680 nan 8.150 nan 0.000 0.501 527 T N 2.271 116.795 114.554 -0.050 0.000 2.771 527 T HA 0.485 4.875 4.350 0.066 0.000 0.277 527 T C 0.354 175.075 174.700 0.034 0.000 0.919 527 T CA 1.043 63.160 62.100 0.027 0.000 1.163 527 T CB -0.616 68.260 68.868 0.013 0.000 0.876 527 T HN 1.342 nan 8.240 nan 0.000 0.545 528 A N 2.441 125.304 122.820 0.072 0.000 2.511 528 A HA 0.831 5.190 4.320 0.066 0.000 0.293 528 A C 0.539 177.887 177.584 -0.393 0.000 1.098 528 A CA -0.328 51.680 52.037 -0.049 0.000 0.643 528 A CB 0.074 19.108 19.000 0.058 0.000 1.302 528 A HN 1.590 nan 8.150 nan 0.000 0.446 529 A N -0.713 121.814 122.820 -0.489 0.000 2.816 529 A HA 0.071 4.431 4.320 0.066 0.000 0.270 529 A C 1.158 178.545 177.584 -0.329 0.000 1.413 529 A CA 1.812 53.491 52.037 -0.596 0.000 0.866 529 A CB -2.556 15.652 19.000 -1.320 0.000 1.032 529 A HN 2.537 nan 8.150 nan 0.000 0.642 530 S N -2.833 112.761 115.700 -0.175 0.000 3.445 530 S HA -0.326 4.183 4.470 0.066 0.000 0.319 530 S C 1.486 176.035 174.600 -0.086 0.000 1.209 530 S CA 1.930 60.084 58.200 -0.077 0.000 0.934 530 S CB -2.410 60.789 63.200 -0.001 0.000 0.999 530 S HN 2.499 nan 8.310 nan 0.000 0.582 531 S N 1.492 117.100 115.700 -0.154 0.000 2.335 531 S HA 0.135 4.644 4.470 0.066 0.000 0.217 531 S C 2.341 176.940 174.600 -0.003 0.000 1.032 531 S CA 1.357 59.511 58.200 -0.077 0.000 0.985 531 S CB -1.369 61.786 63.200 -0.075 0.000 0.896 531 S HN 1.475 nan 8.310 nan 0.000 0.445 532 G N 2.644 111.449 108.800 0.008 0.000 3.550 532 G HA2 -0.434 3.566 3.960 0.066 0.000 0.327 532 G HA3 -0.434 3.566 3.960 0.066 0.000 0.327 532 G C 1.653 176.551 174.900 -0.004 0.000 1.344 532 G CA 2.482 47.594 45.100 0.020 0.000 1.399 532 G HN 1.335 nan 8.290 nan 0.000 1.219 533 A N -0.251 122.561 122.820 -0.013 0.000 1.929 533 A HA 0.131 4.491 4.320 0.066 0.000 0.216 533 A C 2.053 179.615 177.584 -0.037 0.000 1.176 533 A CA 2.123 54.140 52.037 -0.034 0.000 0.628 533 A CB -0.444 18.549 19.000 -0.012 0.000 0.816 533 A HN 0.448 nan 8.150 nan 0.000 0.444 534 D N -0.060 120.337 120.400 -0.004 0.000 2.108 534 D HA -0.202 4.478 4.640 0.066 0.000 0.190 534 D C 2.115 178.355 176.300 -0.099 0.000 0.995 534 D CA 2.025 56.018 54.000 -0.011 0.000 0.834 534 D CB -0.258 40.589 40.800 0.079 0.000 0.967 534 D HN 0.446 nan 8.370 nan 0.000 0.446 535 M N -0.179 119.414 119.600 -0.011 0.000 2.134 535 M HA -0.035 4.485 4.480 0.066 0.000 0.262 535 M C 1.755 178.038 176.300 -0.028 0.000 1.076 535 M CA 0.841 56.172 55.300 0.052 0.000 1.143 535 M CB -0.311 32.391 32.600 0.169 0.000 1.346 535 M HN -0.002 nan 8.290 nan 0.000 0.421 536 N N 0.729 119.412 118.700 -0.028 0.000 2.309 536 N HA -0.071 4.709 4.740 0.066 0.000 0.182 536 N C 1.828 177.260 175.510 -0.130 0.000 1.018 536 N CA 1.455 54.469 53.050 -0.061 0.000 0.876 536 N CB -0.453 37.986 38.487 -0.082 0.000 0.972 536 N HN 0.433 nan 8.380 nan 0.000 0.434 537 G N 1.603 110.318 108.800 -0.141 0.000 2.440 537 G HA2 -0.219 3.781 3.960 0.066 0.000 0.218 537 G HA3 -0.219 3.781 3.960 0.066 0.000 0.218 537 G C 1.562 176.376 174.900 -0.144 0.000 1.154 537 G CA 0.599 45.627 45.100 -0.120 0.000 0.767 537 G HN 0.141 nan 8.290 nan 0.000 0.552 538 M N 0.988 120.426 119.600 -0.269 0.000 2.156 538 M HA 0.131 4.651 4.480 0.066 0.000 0.264 538 M C 3.024 179.231 176.300 -0.156 0.000 1.067 538 M CA 1.181 56.260 55.300 -0.367 0.000 1.131 538 M CB -1.234 30.763 32.600 -1.004 0.000 1.368 538 M HN 0.315 nan 8.290 nan 0.000 0.416 539 A N -0.140 122.635 122.820 -0.074 0.000 1.902 539 A HA -0.081 4.279 4.320 0.066 0.000 0.217 539 A C 2.457 180.060 177.584 0.033 0.000 1.181 539 A CA 1.715 53.770 52.037 0.031 0.000 0.623 539 A CB -0.981 18.052 19.000 0.055 0.000 0.818 539 A HN 0.276 nan 8.150 nan 0.000 0.443 540 V N 0.245 120.159 119.914 0.001 0.000 2.295 540 V HA -0.273 3.887 4.120 0.066 0.000 0.246 540 V C 2.563 178.661 176.094 0.006 0.000 1.049 540 V CA 2.434 64.741 62.300 0.012 0.000 1.024 540 V CB -0.630 31.185 31.823 -0.014 0.000 0.648 540 V HN 0.723 nan 8.190 nan 0.000 0.447 541 K N 0.130 120.521 120.400 -0.015 0.000 2.103 541 K HA -0.280 4.080 4.320 0.066 0.000 0.207 541 K C 1.873 178.462 176.600 -0.019 0.000 1.048 541 K CA 2.162 58.437 56.287 -0.020 0.000 0.930 541 K CB -0.301 32.158 32.500 -0.068 0.000 0.716 541 K HN 0.556 nan 8.250 nan 0.000 0.444 542 D N -0.167 120.231 120.400 -0.004 0.000 2.097 542 D HA -0.144 4.535 4.640 0.066 0.000 0.195 542 D C 1.718 178.035 176.300 0.029 0.000 0.989 542 D CA 1.647 55.663 54.000 0.025 0.000 0.827 542 D CB -0.097 40.746 40.800 0.073 0.000 0.966 542 D HN 0.331 nan 8.370 nan 0.000 0.456 543 A N -0.431 122.410 122.820 0.036 0.000 1.902 543 A HA -0.180 4.179 4.320 0.066 0.000 0.217 543 A C 2.571 180.158 177.584 0.006 0.000 1.181 543 A CA 1.597 53.651 52.037 0.028 0.000 0.623 543 A CB -1.026 17.996 19.000 0.037 0.000 0.818 543 A HN 0.519 nan 8.150 nan 0.000 0.443 544 C N -0.895 118.405 119.300 0.001 0.000 2.457 544 C HA -0.026 4.474 4.460 0.066 0.000 0.278 544 C C 2.613 177.582 174.990 -0.035 0.000 1.309 544 C CA 1.031 60.041 59.018 -0.013 0.000 1.735 544 C CB -1.208 26.529 27.740 -0.005 0.000 1.992 544 C HN 0.675 nan 8.230 nan 0.000 0.493 545 E N 0.362 120.544 120.200 -0.030 0.000 2.150 545 E HA -0.139 4.251 4.350 0.066 0.000 0.193 545 E C 2.063 178.637 176.600 -0.043 0.000 0.985 545 E CA 1.542 57.915 56.400 -0.044 0.000 0.814 545 E CB -0.094 29.587 29.700 -0.032 0.000 0.752 545 E HN 0.654 nan 8.360 nan 0.000 0.466 546 T N 1.409 115.948 114.554 -0.024 0.000 2.674 546 T HA -0.140 4.250 4.350 0.066 0.000 0.265 546 T C 1.979 176.658 174.700 -0.035 0.000 1.039 546 T CA 0.776 62.865 62.100 -0.019 0.000 1.150 546 T CB -0.248 68.618 68.868 -0.003 0.000 0.864 546 T HN 0.079 nan 8.240 nan 0.000 0.427 547 L N 0.579 121.778 121.223 -0.040 0.000 2.017 547 L HA -0.064 4.316 4.340 0.066 0.000 0.208 547 L C 3.032 179.844 176.870 -0.096 0.000 1.073 547 L CA 1.256 56.067 54.840 -0.049 0.000 0.745 547 L CB -0.401 41.641 42.059 -0.029 0.000 0.894 547 L HN 0.128 nan 8.230 nan 0.000 0.432 548 R N 0.337 120.743 120.500 -0.157 0.000 2.152 548 R HA -0.126 4.253 4.340 0.066 0.000 0.232 548 R C 1.976 178.106 176.300 -0.282 0.000 1.117 548 R CA 1.347 57.223 56.100 -0.373 0.000 0.981 548 R CB -0.457 29.573 30.300 -0.450 0.000 0.870 548 R HN 0.421 nan 8.270 nan 0.000 0.451 549 G N 1.017 109.739 108.800 -0.130 0.000 2.484 549 G HA2 -0.291 3.709 3.960 0.066 0.000 0.215 549 G HA3 -0.291 3.709 3.960 0.066 0.000 0.215 549 G C 1.493 176.384 174.900 -0.015 0.000 1.219 549 G CA 0.806 45.875 45.100 -0.051 0.000 0.791 549 G HN 0.321 nan 8.290 nan 0.000 0.550 550 R N -0.236 120.254 120.500 -0.017 0.000 2.140 550 R HA -0.081 4.298 4.340 0.066 0.000 0.250 550 R C 2.670 179.000 176.300 0.049 0.000 1.150 550 R CA 1.426 57.531 56.100 0.008 0.000 0.966 550 R CB -0.537 29.753 30.300 -0.017 0.000 0.869 550 R HN 0.346 nan 8.270 nan 0.000 0.445 551 L N -0.656 120.584 121.223 0.028 0.000 2.027 551 L HA -0.135 4.245 4.340 0.066 0.000 0.206 551 L C 2.571 179.620 176.870 0.299 0.000 1.074 551 L CA 1.275 56.194 54.840 0.132 0.000 0.745 551 L CB -0.499 41.620 42.059 0.101 0.000 0.898 551 L HN 0.308 nan 8.230 nan 0.000 0.433 552 A N -0.075 122.909 122.820 0.275 0.000 1.930 552 A HA -0.113 4.247 4.320 0.066 0.000 0.217 552 A C 2.318 179.991 177.584 0.149 0.000 1.175 552 A CA 1.585 53.806 52.037 0.308 0.000 0.627 552 A CB -1.106 18.081 19.000 0.311 0.000 0.815 552 A HN 0.470 nan 8.150 nan 0.000 0.443 553 G N -1.138 107.731 108.800 0.116 0.000 2.408 553 G HA2 -0.192 3.808 3.960 0.066 0.000 0.217 553 G HA3 -0.192 3.808 3.960 0.066 0.000 0.217 553 G C 1.432 176.375 174.900 0.071 0.000 1.150 553 G CA 1.100 46.244 45.100 0.073 0.000 0.776 553 G HN 0.577 nan 8.290 nan 0.000 0.542 554 F N 1.400 121.337 119.950 -0.022 0.000 2.146 554 F HA -0.046 4.522 4.527 0.068 0.000 0.298 554 F C 2.491 178.241 175.800 -0.083 0.000 1.096 554 F CA 1.347 59.315 58.000 -0.053 0.000 1.275 554 F CB -0.201 38.759 39.000 -0.066 0.000 1.008 554 F HN -0.003 nan 8.300 nan 0.000 0.480 555 V N 0.945 120.717 119.914 -0.237 0.000 2.307 555 V HA -0.246 3.913 4.120 0.066 0.000 0.245 555 V C 2.842 178.757 176.094 -0.298 0.000 1.045 555 V CA 1.772 63.831 62.300 -0.403 0.000 1.024 555 V CB -1.637 30.063 31.823 -0.205 0.000 0.651 555 V HN 0.487 nan 8.190 nan 0.000 0.449 556 A N -0.238 122.500 122.820 -0.136 0.000 2.019 556 A HA -0.049 4.311 4.320 0.066 0.000 0.219 556 A C 2.317 179.837 177.584 -0.108 0.000 1.164 556 A CA 2.011 54.000 52.037 -0.079 0.000 0.644 556 A CB -0.531 18.459 19.000 -0.018 0.000 0.805 556 A HN 0.561 nan 8.150 nan 0.000 0.449 557 A N -0.377 122.344 122.820 -0.164 0.000 1.831 557 A HA -0.033 4.327 4.320 0.066 0.000 0.213 557 A C 2.233 179.696 177.584 -0.201 0.000 1.223 557 A CA 1.269 53.214 52.037 -0.154 0.000 0.604 557 A CB -0.641 18.276 19.000 -0.139 0.000 0.878 557 A HN 0.423 nan 8.150 nan 0.000 0.450 558 R N -0.220 120.064 120.500 -0.360 0.000 2.133 558 R HA -0.194 4.186 4.340 0.066 0.000 0.245 558 R C 1.364 177.548 176.300 -0.193 0.000 1.137 558 R CA 2.038 57.932 56.100 -0.343 0.000 0.947 558 R CB -0.305 29.620 30.300 -0.625 0.000 0.865 558 R HN 0.478 nan 8.270 nan 0.000 0.437 559 E N -0.721 119.370 120.200 -0.182 0.000 2.478 559 E HA 0.050 4.440 4.350 0.066 0.000 0.194 559 E C 0.436 177.018 176.600 -0.030 0.000 1.045 559 E CA 0.706 57.076 56.400 -0.049 0.000 0.868 559 E CB 0.140 29.851 29.700 0.018 0.000 0.885 559 E HN 0.597 nan 8.360 nan 0.000 0.505 560 G N 2.220 110.984 108.800 -0.061 0.000 2.381 560 G HA2 -0.267 3.733 3.960 0.066 0.000 0.281 560 G HA3 -0.267 3.733 3.960 0.066 0.000 0.281 560 G C 0.294 175.184 174.900 -0.016 0.000 0.984 560 G CA 0.455 45.533 45.100 -0.037 0.000 1.339 560 G HN 0.401 nan 8.290 nan 0.000 0.485 561 C N -1.172 118.119 119.300 -0.016 0.000 3.284 561 C HA 0.964 5.463 4.460 0.066 0.000 0.348 561 C C 0.782 175.774 174.990 0.003 0.000 1.448 561 C CA -0.481 58.538 59.018 0.001 0.000 1.223 561 C CB 1.219 28.969 27.740 0.016 0.000 1.588 561 C HN 2.342 nan 8.230 nan 0.000 0.451 562 A N 0.629 123.458 122.820 0.014 0.000 2.498 562 A HA 0.556 4.916 4.320 0.066 0.000 0.239 562 A C 1.396 178.998 177.584 0.030 0.000 1.068 562 A CA 0.546 52.595 52.037 0.020 0.000 0.766 562 A CB -0.090 18.925 19.000 0.024 0.000 1.003 562 A HN 2.406 nan 8.150 nan 0.000 0.497 563 A N 2.570 125.409 122.820 0.033 0.000 1.902 563 A HA -0.139 4.221 4.320 0.066 0.000 0.217 563 A C 2.007 179.636 177.584 0.075 0.000 1.181 563 A CA 1.599 53.667 52.037 0.052 0.000 0.623 563 A CB -0.444 18.583 19.000 0.046 0.000 0.818 563 A HN 0.895 nan 8.150 nan 0.000 0.443 564 R N 0.168 120.704 120.500 0.060 0.000 2.303 564 R HA -0.084 4.296 4.340 0.066 0.000 0.225 564 R C 0.213 176.559 176.300 0.077 0.000 1.114 564 R CA 1.280 57.419 56.100 0.065 0.000 1.007 564 R CB -0.296 30.031 30.300 0.046 0.000 0.861 564 R HN 0.363 nan 8.270 nan 0.000 0.471 565 D N -0.151 120.293 120.400 0.073 0.000 2.340 565 D HA 0.062 4.742 4.640 0.066 0.000 0.217 565 D C -0.506 175.847 176.300 0.088 0.000 1.081 565 D CA 0.243 54.286 54.000 0.071 0.000 0.842 565 D CB 0.647 41.478 40.800 0.052 0.000 0.934 565 D HN -0.072 nan 8.370 nan 0.000 0.511 566 V N 3.025 123.010 119.914 0.118 0.000 2.334 566 V HA 0.261 4.421 4.120 0.066 0.000 0.267 566 V C 0.436 176.642 176.094 0.187 0.000 1.040 566 V CA -0.788 61.588 62.300 0.126 0.000 0.866 566 V CB 0.688 32.603 31.823 0.153 0.000 1.019 566 V HN 0.011 nan 8.190 nan 0.000 0.468 567 I N 1.621 122.252 120.570 0.101 0.000 2.312 567 I HA 0.568 4.778 4.170 0.066 0.000 0.290 567 I C -0.806 175.359 176.117 0.081 0.000 1.008 567 I CA -0.205 61.187 61.300 0.153 0.000 1.226 567 I CB 0.670 38.736 38.000 0.111 0.000 1.371 567 I HN 0.250 nan 8.210 nan 0.000 0.468 568 F N 4.549 124.578 119.950 0.132 0.000 2.391 568 F HA 0.547 5.114 4.527 0.066 0.000 0.359 568 F C 0.052 175.923 175.800 0.119 0.000 1.122 568 F CA -0.144 57.956 58.000 0.167 0.000 1.120 568 F CB 0.902 40.023 39.000 0.202 0.000 1.142 568 F HN 0.601 nan 8.300 nan 0.000 0.483 569 D N 1.458 121.988 120.400 0.216 0.000 2.769 569 D HA 0.508 5.187 4.640 0.066 0.000 0.219 569 D C -0.635 175.721 176.300 0.093 0.000 1.245 569 D CA -0.264 53.817 54.000 0.134 0.000 0.801 569 D CB 1.665 42.525 40.800 0.100 0.000 1.598 569 D HN 0.702 nan 8.370 nan 0.000 0.485 570 A N 2.334 125.188 122.820 0.057 0.000 2.415 570 A HA 0.199 4.559 4.320 0.066 0.000 0.292 570 A C 1.640 179.252 177.584 0.047 0.000 1.452 570 A CA 2.080 54.137 52.037 0.034 0.000 0.750 570 A CB -2.159 16.857 19.000 0.028 0.000 1.099 570 A HN 2.019 nan 8.150 nan 0.000 0.391 571 G N -1.841 106.987 108.800 0.047 0.000 2.205 571 G HA2 -0.323 3.676 3.960 0.066 0.000 0.269 571 G HA3 -0.323 3.676 3.960 0.066 0.000 0.269 571 G C 0.143 175.138 174.900 0.158 0.000 0.977 571 G CA 1.215 46.362 45.100 0.079 0.000 0.652 571 G HN 1.385 nan 8.290 nan 0.000 0.539 572 Q N -0.415 119.466 119.800 0.135 0.000 2.266 572 Q HA 0.665 5.045 4.340 0.066 0.000 0.261 572 Q C -0.351 175.714 176.000 0.108 0.000 0.985 572 Q CA -0.631 55.248 55.803 0.127 0.000 0.873 572 Q CB 2.672 31.454 28.738 0.074 0.000 1.306 572 Q HN 0.234 nan 8.270 nan 0.000 0.447 573 V N 1.598 121.564 119.914 0.087 0.000 2.540 573 V HA 0.416 4.575 4.120 0.066 0.000 0.302 573 V C -0.545 175.628 176.094 0.132 0.000 1.035 573 V CA -0.674 61.560 62.300 -0.111 0.000 0.873 573 V CB 1.910 33.530 31.823 -0.339 0.000 0.992 573 V HN 0.693 nan 8.190 nan 0.000 0.428 574 Q N 2.055 121.883 119.800 0.045 0.000 2.372 574 Q HA 0.861 5.241 4.340 0.066 0.000 0.273 574 Q C -1.066 175.046 176.000 0.187 0.000 1.078 574 Q CA -0.404 55.491 55.803 0.154 0.000 0.806 574 Q CB 2.510 31.276 28.738 0.046 0.000 1.332 574 Q HN 1.092 nan 8.270 nan 0.000 0.435 575 A N 1.022 124.010 122.820 0.280 0.000 2.590 575 A HA 0.542 4.902 4.320 0.066 0.000 0.294 575 A C -0.270 177.423 177.584 0.181 0.000 1.046 575 A CA 0.045 52.212 52.037 0.216 0.000 0.684 575 A CB 1.002 20.130 19.000 0.213 0.000 1.279 575 A HN 0.833 nan 8.150 nan 0.000 0.415 576 S N -0.358 115.403 115.700 0.102 0.000 3.476 576 S HA -0.064 4.446 4.470 0.066 0.000 0.309 576 S C 1.631 176.233 174.600 0.003 0.000 1.222 576 S CA 2.182 60.418 58.200 0.061 0.000 0.922 576 S CB -1.499 61.760 63.200 0.099 0.000 1.023 576 S HN 2.879 nan 8.310 nan 0.000 0.591 577 G N 0.132 108.921 108.800 -0.018 0.000 2.221 577 G HA2 -0.296 3.704 3.960 0.066 0.000 0.265 577 G HA3 -0.296 3.704 3.960 0.066 0.000 0.265 577 G C -0.354 174.464 174.900 -0.137 0.000 1.041 577 G CA 0.853 45.917 45.100 -0.060 0.000 0.807 577 G HN 0.710 nan 8.290 nan 0.000 0.502 578 K N -0.355 119.910 120.400 -0.225 0.000 2.469 578 K HA 0.702 5.061 4.320 0.066 0.000 0.254 578 K C -0.232 175.947 176.600 -0.701 0.000 0.939 578 K CA -0.263 55.717 56.287 -0.512 0.000 0.812 578 K CB 2.275 34.359 32.500 -0.692 0.000 1.301 578 K HN 0.524 nan 8.250 nan 0.000 0.433 579 S N 1.042 116.311 115.700 -0.718 0.000 2.542 579 S HA 0.601 5.110 4.470 0.066 0.000 0.293 579 S C -0.746 173.526 174.600 -0.546 0.000 1.089 579 S CA -0.776 57.139 58.200 -0.476 0.000 0.961 579 S CB 1.212 64.312 63.200 -0.166 0.000 1.062 579 S HN 0.673 nan 8.310 nan 0.000 0.483 580 W N 1.209 122.490 121.300 -0.032 0.000 3.564 580 W HA 0.561 5.261 4.660 0.066 0.000 0.499 580 W C 0.144 176.665 176.519 0.004 0.000 1.284 580 W CA -1.059 56.279 57.345 -0.013 0.000 0.898 580 W CB 0.887 30.337 29.460 -0.018 0.000 2.588 580 W HN 0.607 nan 8.180 nan 0.000 0.680 581 R N -0.011 120.676 120.500 0.312 0.000 2.807 581 R HA 0.285 4.665 4.340 0.066 0.000 0.276 581 R C 0.620 177.054 176.300 0.223 0.000 0.979 581 R CA -0.766 55.468 56.100 0.223 0.000 0.928 581 R CB 1.990 32.394 30.300 0.173 0.000 1.191 581 R HN 0.267 nan 8.270 nan 0.000 0.471 582 F N 2.055 122.066 119.950 0.102 0.000 2.065 582 F HA -0.268 4.299 4.527 0.065 0.000 0.298 582 F C 2.200 178.058 175.800 0.096 0.000 1.112 582 F CA 2.477 60.543 58.000 0.111 0.000 1.212 582 F CB -0.155 38.925 39.000 0.133 0.000 0.975 582 F HN 0.739 nan 8.300 nan 0.000 0.476 583 A N -0.339 122.659 122.820 0.296 0.000 1.948 583 A HA -0.273 4.086 4.320 0.066 0.000 0.220 583 A C 2.133 179.753 177.584 0.060 0.000 1.177 583 A CA 2.146 54.285 52.037 0.170 0.000 0.636 583 A CB -0.949 18.150 19.000 0.165 0.000 0.815 583 A HN 0.609 nan 8.150 nan 0.000 0.449 584 E N -0.732 119.512 120.200 0.073 0.000 2.047 584 E HA -0.123 4.267 4.350 0.066 0.000 0.191 584 E C 1.888 178.467 176.600 -0.035 0.000 0.987 584 E CA 0.965 57.399 56.400 0.057 0.000 0.799 584 E CB -0.147 29.638 29.700 0.141 0.000 0.752 584 E HN 0.526 nan 8.360 nan 0.000 0.449 585 I N 0.798 121.303 120.570 -0.109 0.000 2.315 585 I HA -0.200 4.010 4.170 0.066 0.000 0.248 585 I C 2.385 178.343 176.117 -0.265 0.000 1.117 585 I CA 0.924 62.098 61.300 -0.211 0.000 1.404 585 I CB -0.857 36.981 38.000 -0.270 0.000 1.071 585 I HN 0.023 nan 8.210 nan 0.000 0.419 586 V N 1.322 121.049 119.914 -0.311 0.000 2.295 586 V HA -0.255 3.904 4.120 0.066 0.000 0.246 586 V C 2.813 178.807 176.094 -0.166 0.000 1.049 586 V CA 1.849 63.982 62.300 -0.279 0.000 1.024 586 V CB -1.069 30.619 31.823 -0.226 0.000 0.648 586 V HN 0.450 nan 8.190 nan 0.000 0.447 587 A N -0.124 122.648 122.820 -0.080 0.000 1.902 587 A HA -0.105 4.255 4.320 0.066 0.000 0.217 587 A C 2.378 179.956 177.584 -0.009 0.000 1.181 587 A CA 2.071 54.118 52.037 0.018 0.000 0.623 587 A CB -0.734 18.292 19.000 0.043 0.000 0.818 587 A HN 0.579 nan 8.150 nan 0.000 0.443 588 A N -0.438 122.324 122.820 -0.097 0.000 1.969 588 A HA 0.269 4.629 4.320 0.066 0.000 0.218 588 A C 2.398 179.740 177.584 -0.403 0.000 1.169 588 A CA 1.724 53.698 52.037 -0.105 0.000 0.635 588 A CB -0.738 18.281 19.000 0.031 0.000 0.810 588 A HN 0.968 nan 8.150 nan 0.000 0.445 589 A N -1.410 120.946 122.820 -0.773 0.000 1.968 589 A HA -0.006 4.353 4.320 0.066 0.000 0.217 589 A C 2.064 179.371 177.584 -0.461 0.000 1.169 589 A CA 1.433 52.779 52.037 -1.152 0.000 0.638 589 A CB -0.707 17.668 19.000 -1.041 0.000 0.812 589 A HN 0.736 nan 8.150 nan 0.000 0.446 590 Y N 0.160 120.261 120.300 -0.332 0.000 2.181 590 Y HA -0.197 4.394 4.550 0.068 0.000 0.288 590 Y C 2.159 177.976 175.900 -0.139 0.000 1.146 590 Y CA 1.894 59.882 58.100 -0.187 0.000 1.164 590 Y CB -0.278 38.109 38.460 -0.121 0.000 0.982 590 Y HN 0.199 nan 8.280 nan 0.000 0.515 591 M N 0.332 119.709 119.600 -0.371 0.000 2.117 591 M HA -0.118 4.401 4.480 0.066 0.000 0.262 591 M C 2.274 178.419 176.300 -0.260 0.000 1.065 591 M CA 1.658 56.741 55.300 -0.362 0.000 1.114 591 M CB -1.713 30.796 32.600 -0.152 0.000 1.361 591 M HN 0.470 nan 8.290 nan 0.000 0.408 592 A N -0.452 122.247 122.820 -0.203 0.000 2.235 592 A HA 0.013 4.373 4.320 0.066 0.000 0.208 592 A C 0.827 178.341 177.584 -0.115 0.000 1.172 592 A CA 0.090 52.074 52.037 -0.087 0.000 0.786 592 A CB -0.540 18.499 19.000 0.065 0.000 0.804 592 A HN 0.586 nan 8.150 nan 0.000 0.479 593 R N -0.971 119.414 120.500 -0.192 0.000 3.336 593 R HA -0.129 4.251 4.340 0.066 0.000 0.260 593 R C -0.856 175.397 176.300 -0.079 0.000 1.032 593 R CA 0.708 56.727 56.100 -0.135 0.000 0.693 593 R CB -1.891 28.344 30.300 -0.108 0.000 1.134 593 R HN 0.419 nan 8.270 nan 0.000 0.433 594 I N 0.748 121.254 120.570 -0.106 0.000 2.306 594 I HA 0.069 4.279 4.170 0.066 0.000 0.288 594 I C 1.210 177.293 176.117 -0.057 0.000 1.036 594 I CA -0.314 60.938 61.300 -0.080 0.000 1.221 594 I CB 1.225 39.149 38.000 -0.127 0.000 1.385 594 I HN 0.096 nan 8.210 nan 0.000 0.472 595 S N 6.498 122.180 115.700 -0.029 0.000 2.810 595 S HA -0.009 4.500 4.470 0.066 0.000 0.329 595 S C 0.276 174.852 174.600 -0.041 0.000 1.231 595 S CA 0.084 58.270 58.200 -0.023 0.000 1.042 595 S CB -0.067 63.122 63.200 -0.018 0.000 0.756 595 S HN 0.430 nan 8.310 nan 0.000 0.504 596 L N 4.883 126.076 121.223 -0.050 0.000 3.030 596 L HA 0.450 4.830 4.340 0.066 0.000 0.252 596 L C 0.171 176.986 176.870 -0.091 0.000 1.316 596 L CA -0.001 54.795 54.840 -0.073 0.000 0.975 596 L CB 0.692 42.697 42.059 -0.090 0.000 1.357 596 L HN 0.512 nan 8.230 nan 0.000 0.534 597 S N 0.682 116.343 115.700 -0.066 0.000 2.609 597 S HA 0.829 5.339 4.470 0.066 0.000 0.250 597 S C -0.774 173.805 174.600 -0.036 0.000 1.112 597 S CA -0.254 57.907 58.200 -0.065 0.000 1.102 597 S CB 0.721 63.883 63.200 -0.065 0.000 1.124 597 S HN 0.340 nan 8.310 nan 0.000 0.460 598 A N 3.285 126.089 122.820 -0.027 0.000 2.350 598 A HA 0.859 5.219 4.320 0.066 0.000 0.324 598 A C 0.358 177.948 177.584 0.010 0.000 1.118 598 A CA -0.664 51.369 52.037 -0.007 0.000 0.783 598 A CB 1.089 20.085 19.000 -0.005 0.000 1.236 598 A HN 0.808 nan 8.150 nan 0.000 0.457 599 T N -0.450 114.119 114.554 0.024 0.000 2.881 599 T HA 0.748 5.138 4.350 0.066 0.000 0.278 599 T C 0.309 175.055 174.700 0.077 0.000 0.982 599 T CA -0.109 62.021 62.100 0.050 0.000 0.989 599 T CB 1.638 70.534 68.868 0.047 0.000 1.058 599 T HN 1.511 nan 8.240 nan 0.000 0.529 600 G N -0.144 108.729 108.800 0.123 0.000 2.731 600 G HA2 0.585 4.585 3.960 0.066 0.000 0.298 600 G HA3 0.585 4.585 3.960 0.066 0.000 0.298 600 G C -2.119 172.942 174.900 0.268 0.000 1.424 600 G CA -0.699 44.493 45.100 0.155 0.000 1.029 600 G HN 0.655 nan 8.290 nan 0.000 0.518 601 F N 1.891 121.889 119.950 0.080 0.000 2.581 601 F HA 0.750 5.316 4.527 0.064 0.000 0.311 601 F C -1.804 174.097 175.800 0.168 0.000 1.113 601 F CA -1.274 56.786 58.000 0.101 0.000 0.935 601 F CB 2.363 41.401 39.000 0.063 0.000 1.232 601 F HN 0.552 nan 8.300 nan 0.000 0.445 602 Y N 3.961 123.880 120.300 -0.635 0.000 2.470 602 Y HA 0.782 5.371 4.550 0.065 0.000 0.341 602 Y C -1.709 173.814 175.900 -0.629 0.000 1.021 602 Y CA -0.903 56.936 58.100 -0.436 0.000 1.025 602 Y CB 1.757 40.086 38.460 -0.218 0.000 1.266 602 Y HN 0.843 nan 8.280 nan 0.000 0.448 603 A N 3.615 125.823 122.820 -1.020 0.000 2.356 603 A HA 0.613 4.973 4.320 0.066 0.000 0.310 603 A C -0.846 176.163 177.584 -0.958 0.000 1.075 603 A CA -0.767 50.811 52.037 -0.766 0.000 0.746 603 A CB 0.741 19.555 19.000 -0.310 0.000 1.221 603 A HN 0.703 nan 8.150 nan 0.000 0.443 604 T N 5.276 119.451 114.554 -0.632 0.000 2.799 604 T HA 0.431 4.821 4.350 0.066 0.000 0.296 604 T C -1.944 172.650 174.700 -0.175 0.000 0.947 604 T CA -0.348 61.539 62.100 -0.354 0.000 1.141 604 T CB 0.246 69.097 68.868 -0.029 0.000 0.891 604 T HN 0.611 nan 8.240 nan 0.000 0.533 605 P HA 0.394 nan 4.420 nan 0.000 0.282 605 P C 0.091 177.389 177.300 -0.002 0.000 1.287 605 P CA -0.656 62.418 63.100 -0.043 0.000 0.792 605 P CB 0.746 32.436 31.700 -0.017 0.000 1.163 606 K N -2.716 117.687 120.400 0.004 0.000 3.606 606 K HA -0.161 4.198 4.320 0.066 0.000 0.289 606 K C 0.078 176.682 176.600 0.006 0.000 1.221 606 K CA 0.921 57.215 56.287 0.011 0.000 1.028 606 K CB -2.008 30.504 32.500 0.020 0.000 1.299 606 K HN 0.356 nan 8.250 nan 0.000 0.454 607 L N 1.203 122.429 121.223 0.005 0.000 2.331 607 L HA 0.441 4.820 4.340 0.066 0.000 0.278 607 L C 0.265 177.163 176.870 0.047 0.000 1.106 607 L CA -0.380 54.467 54.840 0.011 0.000 0.824 607 L CB 1.608 43.674 42.059 0.012 0.000 1.142 607 L HN 0.119 nan 8.230 nan 0.000 0.443 608 S N 4.302 120.052 115.700 0.084 0.000 2.582 608 S HA 0.554 5.064 4.470 0.066 0.000 0.296 608 S C -1.968 172.757 174.600 0.208 0.000 1.118 608 S CA -0.744 57.524 58.200 0.113 0.000 0.947 608 S CB 0.836 64.069 63.200 0.055 0.000 1.131 608 S HN 0.741 nan 8.310 nan 0.000 0.453 609 W N 4.126 125.372 121.300 -0.090 0.000 3.464 609 W HA 0.469 5.168 4.660 0.065 0.000 0.292 609 W C -2.432 174.028 176.519 -0.098 0.000 1.262 609 W CA -0.594 56.681 57.345 -0.115 0.000 1.202 609 W CB 0.479 29.832 29.460 -0.179 0.000 1.334 609 W HN 0.610 nan 8.180 nan 0.000 0.561 610 D N 4.050 124.240 120.400 -0.348 0.000 2.443 610 D HA 0.171 4.851 4.640 0.066 0.000 0.221 610 D C 1.503 177.369 176.300 -0.724 0.000 1.097 610 D CA -0.216 53.491 54.000 -0.490 0.000 0.865 610 D CB 1.219 41.888 40.800 -0.219 0.000 1.034 610 D HN 0.574 nan 8.370 nan 0.000 0.511 611 R N 3.744 123.585 120.500 -1.098 0.000 2.119 611 R HA -0.190 4.189 4.340 0.066 0.000 0.246 611 R C 1.371 177.601 176.300 -0.117 0.000 1.146 611 R CA 1.454 57.060 56.100 -0.823 0.000 0.962 611 R CB -0.119 29.888 30.300 -0.488 0.000 0.863 611 R HN 0.484 nan 8.270 nan 0.000 0.442 612 L N 0.058 121.220 121.223 -0.101 0.000 2.005 612 L HA -0.113 4.267 4.340 0.066 0.000 0.207 612 L C 2.854 179.772 176.870 0.080 0.000 1.072 612 L CA 1.083 55.958 54.840 0.058 0.000 0.744 612 L CB -0.424 41.634 42.059 -0.000 0.000 0.895 612 L HN 0.165 nan 8.230 nan 0.000 0.433 613 R N 0.414 120.883 120.500 -0.051 0.000 2.127 613 R HA -0.067 4.313 4.340 0.066 0.000 0.238 613 R C 1.265 177.449 176.300 -0.192 0.000 1.134 613 R CA 0.974 57.033 56.100 -0.068 0.000 0.975 613 R CB -1.050 29.201 30.300 -0.081 0.000 0.865 613 R HN 0.531 nan 8.270 nan 0.000 0.447 614 G N 1.319 109.879 108.800 -0.400 0.000 2.256 614 G HA2 -0.218 3.782 3.960 0.066 0.000 0.272 614 G HA3 -0.218 3.782 3.960 0.066 0.000 0.272 614 G C -0.292 174.335 174.900 -0.454 0.000 1.076 614 G CA 0.132 44.616 45.100 -1.025 0.000 0.882 614 G HN 0.233 nan 8.290 nan 0.000 0.497 615 Q N -1.145 118.581 119.800 -0.123 0.000 2.379 615 Q HA 0.736 5.116 4.340 0.066 0.000 0.278 615 Q C 0.446 176.524 176.000 0.131 0.000 1.068 615 Q CA 0.308 56.105 55.803 -0.010 0.000 0.816 615 Q CB 2.104 30.821 28.738 -0.035 0.000 1.387 615 Q HN 1.713 nan 8.270 nan 0.000 0.413 616 G N 1.324 110.187 108.800 0.105 0.000 2.265 616 G HA2 -0.075 3.925 3.960 0.066 0.000 0.246 616 G HA3 -0.075 3.925 3.960 0.066 0.000 0.246 616 G C -1.481 173.459 174.900 0.067 0.000 1.299 616 G CA -0.858 44.316 45.100 0.122 0.000 1.117 616 G HN 0.422 nan 8.290 nan 0.000 0.485 617 R N 1.441 121.966 120.500 0.041 0.000 2.412 617 R HA 0.474 4.854 4.340 0.066 0.000 0.304 617 R C -1.912 174.230 176.300 -0.262 0.000 1.066 617 R CA -1.639 54.406 56.100 -0.092 0.000 0.923 617 R CB 2.056 32.329 30.300 -0.044 0.000 1.156 617 R HN 0.311 nan 8.270 nan 0.000 0.513 618 P HA 0.004 nan 4.420 nan 0.000 0.224 618 P C -0.243 176.569 177.300 -0.814 0.000 1.157 618 P CA 0.710 63.090 63.100 -1.200 0.000 0.799 618 P CB 0.321 30.547 31.700 -2.457 0.000 0.809 619 F N -0.735 118.973 119.950 -0.402 0.000 2.469 619 F HA 0.267 4.833 4.527 0.066 0.000 0.332 619 F C 1.679 177.251 175.800 -0.380 0.000 1.103 619 F CA -1.271 56.444 58.000 -0.475 0.000 0.979 619 F CB 1.697 40.246 39.000 -0.752 0.000 1.137 619 F HN -0.306 nan 8.300 nan 0.000 0.463 620 L N 3.738 124.894 121.223 -0.111 0.000 2.109 620 L HA -0.005 4.374 4.340 0.066 0.000 0.207 620 L C -0.303 176.587 176.870 0.033 0.000 1.086 620 L CA 1.594 56.431 54.840 -0.004 0.000 0.760 620 L CB -0.319 41.818 42.059 0.130 0.000 0.910 620 L HN 0.679 nan 8.230 nan 0.000 0.437 621 Y N -5.076 115.063 120.300 -0.269 0.000 2.853 621 Y HA 0.572 5.161 4.550 0.066 0.000 0.326 621 Y C -1.376 174.129 175.900 -0.658 0.000 1.384 621 Y CA -2.379 55.521 58.100 -0.333 0.000 1.077 621 Y CB 0.332 38.735 38.460 -0.096 0.000 1.395 621 Y HN -0.231 nan 8.280 nan 0.000 0.451 622 F N 1.113 121.084 119.950 0.034 0.000 2.520 622 F HA 0.825 5.392 4.527 0.066 0.000 0.322 622 F C 0.148 175.812 175.800 -0.227 0.000 1.103 622 F CA -0.977 56.838 58.000 -0.309 0.000 0.926 622 F CB 2.247 40.931 39.000 -0.526 0.000 1.154 622 F HN 0.798 nan 8.300 nan 0.000 0.453 623 A N 3.031 125.799 122.820 -0.085 0.000 2.310 623 A HA 0.743 5.102 4.320 0.066 0.000 0.299 623 A C -1.568 175.813 177.584 -0.339 0.000 1.147 623 A CA -0.249 51.773 52.037 -0.026 0.000 0.818 623 A CB 0.310 19.400 19.000 0.150 0.000 1.096 623 A HN 0.755 nan 8.150 nan 0.000 0.495 624 Y N 0.081 120.291 120.300 -0.150 0.000 2.662 624 Y HA 0.740 5.330 4.550 0.067 0.000 0.335 624 Y C 0.776 176.375 175.900 -0.500 0.000 1.066 624 Y CA 0.134 58.072 58.100 -0.270 0.000 1.116 624 Y CB 2.573 40.847 38.460 -0.310 0.000 1.308 624 Y HN 1.211 nan 8.280 nan 0.000 0.502 625 G N -0.365 108.342 108.800 -0.155 0.000 2.350 625 G HA2 0.551 4.551 3.960 0.066 0.000 0.304 625 G HA3 0.551 4.551 3.960 0.066 0.000 0.304 625 G C -2.273 172.614 174.900 -0.022 0.000 1.421 625 G CA -0.197 44.818 45.100 -0.142 0.000 0.934 625 G HN 1.015 nan 8.290 nan 0.000 0.632 626 A N -0.996 121.827 122.820 0.005 0.000 2.572 626 A HA 1.097 5.457 4.320 0.066 0.000 0.295 626 A C -0.302 177.288 177.584 0.009 0.000 1.072 626 A CA 0.312 52.354 52.037 0.008 0.000 0.691 626 A CB 1.533 20.507 19.000 -0.044 0.000 1.291 626 A HN 2.590 nan 8.150 nan 0.000 0.404 627 A N 1.205 124.026 122.820 0.002 0.000 2.374 627 A HA 0.755 5.115 4.320 0.066 0.000 0.305 627 A C -1.027 176.523 177.584 -0.057 0.000 1.053 627 A CA -0.315 51.695 52.037 -0.044 0.000 0.726 627 A CB 0.732 19.700 19.000 -0.053 0.000 1.229 627 A HN 0.774 nan 8.150 nan 0.000 0.431 628 I N 2.565 123.085 120.570 -0.083 0.000 2.359 628 I HA 0.281 4.491 4.170 0.066 0.000 0.284 628 I C -0.183 175.926 176.117 -0.013 0.000 1.018 628 I CA -0.027 61.235 61.300 -0.062 0.000 1.173 628 I CB 1.730 39.674 38.000 -0.093 0.000 1.326 628 I HN 0.558 nan 8.210 nan 0.000 0.462 629 T N 5.413 119.983 114.554 0.028 0.000 2.795 629 T HA 0.281 4.671 4.350 0.066 0.000 0.282 629 T C -0.320 174.406 174.700 0.042 0.000 0.980 629 T CA -0.474 61.646 62.100 0.034 0.000 1.012 629 T CB 1.585 70.511 68.868 0.096 0.000 0.936 629 T HN 0.519 nan 8.240 nan 0.000 0.457 630 E N 2.341 122.544 120.200 0.005 0.000 2.195 630 E HA 0.636 5.025 4.350 0.066 0.000 0.271 630 E C -0.860 175.709 176.600 -0.051 0.000 0.923 630 E CA -0.812 55.574 56.400 -0.023 0.000 0.790 630 E CB 1.109 30.780 29.700 -0.049 0.000 1.155 630 E HN 0.496 nan 8.360 nan 0.000 0.402 631 V N 0.351 120.227 119.914 -0.064 0.000 3.160 631 V HA 0.755 4.915 4.120 0.066 0.000 0.310 631 V C -0.779 175.264 176.094 -0.084 0.000 1.181 631 V CA -0.948 61.310 62.300 -0.069 0.000 1.047 631 V CB 1.637 33.428 31.823 -0.052 0.000 1.068 631 V HN 0.456 nan 8.190 nan 0.000 0.441 632 V N 0.726 120.601 119.914 -0.065 0.000 2.525 632 V HA 0.723 4.883 4.120 0.066 0.000 0.299 632 V C -0.315 175.776 176.094 -0.005 0.000 1.034 632 V CA -0.505 61.776 62.300 -0.032 0.000 0.863 632 V CB 1.000 32.805 31.823 -0.030 0.000 0.999 632 V HN 1.164 nan 8.190 nan 0.000 0.423 633 I N -0.021 120.557 120.570 0.013 0.000 2.460 633 I HA 0.757 4.967 4.170 0.066 0.000 0.298 633 I C -0.460 175.670 176.117 0.023 0.000 0.989 633 I CA -0.327 60.974 61.300 0.001 0.000 1.173 633 I CB 1.768 39.753 38.000 -0.024 0.000 1.338 633 I HN 0.639 nan 8.210 nan 0.000 0.456 634 D N 5.053 125.458 120.400 0.008 0.000 2.365 634 D HA 0.201 4.881 4.640 0.066 0.000 0.237 634 D C 1.080 177.376 176.300 -0.006 0.000 1.190 634 D CA -0.377 53.629 54.000 0.009 0.000 0.867 634 D CB 0.926 41.728 40.800 0.004 0.000 1.050 634 D HN 0.453 nan 8.370 nan 0.000 0.491 635 R N 2.843 123.339 120.500 -0.007 0.000 2.154 635 R HA -0.158 4.222 4.340 0.066 0.000 0.248 635 R C 1.310 177.597 176.300 -0.023 0.000 1.155 635 R CA 0.965 57.053 56.100 -0.019 0.000 0.979 635 R CB -0.236 30.049 30.300 -0.025 0.000 0.869 635 R HN 0.502 nan 8.270 nan 0.000 0.452 636 L N -0.697 120.514 121.223 -0.019 0.000 2.127 636 L HA -0.067 4.312 4.340 0.066 0.000 0.203 636 L C 2.400 179.259 176.870 -0.019 0.000 1.080 636 L CA 1.830 56.658 54.840 -0.020 0.000 0.768 636 L CB -0.246 41.802 42.059 -0.018 0.000 0.924 636 L HN 0.279 nan 8.230 nan 0.000 0.444 637 T N -6.120 108.424 114.554 -0.017 0.000 2.955 637 T HA 0.378 4.768 4.350 0.066 0.000 0.251 637 T C 1.426 176.114 174.700 -0.020 0.000 1.002 637 T CA 0.497 62.586 62.100 -0.018 0.000 0.970 637 T CB 0.825 69.683 68.868 -0.016 0.000 1.091 637 T HN 0.288 nan 8.240 nan 0.000 0.495 638 G N 1.489 110.276 108.800 -0.021 0.000 2.179 638 G HA2 -0.197 3.803 3.960 0.066 0.000 0.220 638 G HA3 -0.197 3.803 3.960 0.066 0.000 0.220 638 G C -0.234 174.651 174.900 -0.026 0.000 0.990 638 G CA -0.085 44.999 45.100 -0.025 0.000 0.646 638 G HN 0.670 nan 8.290 nan 0.000 0.517 639 E N 0.861 121.047 120.200 -0.022 0.000 2.452 639 E HA 0.351 4.741 4.350 0.066 0.000 0.261 639 E C 0.479 177.066 176.600 -0.023 0.000 0.987 639 E CA 0.998 57.384 56.400 -0.023 0.000 0.926 639 E CB 0.210 29.899 29.700 -0.018 0.000 0.934 639 E HN 0.771 nan 8.360 nan 0.000 0.452 640 N N 1.260 119.941 118.700 -0.031 0.000 2.494 640 N HA 0.533 5.313 4.740 0.066 0.000 0.270 640 N C -1.420 174.064 175.510 -0.043 0.000 1.285 640 N CA -1.147 51.883 53.050 -0.034 0.000 0.812 640 N CB 1.560 40.023 38.487 -0.041 0.000 1.557 640 N HN 0.471 nan 8.380 nan 0.000 0.487 641 R N -0.093 120.380 120.500 -0.046 0.000 2.629 641 R HA 0.476 4.856 4.340 0.066 0.000 0.266 641 R C -1.605 174.657 176.300 -0.064 0.000 1.051 641 R CA -0.923 55.144 56.100 -0.057 0.000 0.895 641 R CB 0.826 31.097 30.300 -0.049 0.000 1.246 641 R HN 0.532 nan 8.270 nan 0.000 0.459 642 I N 3.699 124.225 120.570 -0.074 0.000 2.421 642 I HA 0.010 4.220 4.170 0.066 0.000 0.291 642 I C 1.253 177.322 176.117 -0.080 0.000 1.089 642 I CA -0.217 61.039 61.300 -0.073 0.000 1.354 642 I CB 0.737 38.690 38.000 -0.079 0.000 1.413 642 I HN 0.580 nan 8.210 nan 0.000 0.513 643 L N 5.745 126.920 121.223 -0.081 0.000 2.034 643 L HA 0.097 4.476 4.340 0.066 0.000 0.203 643 L C 1.233 178.053 176.870 -0.083 0.000 1.074 643 L CA 1.088 55.877 54.840 -0.085 0.000 0.748 643 L CB -0.128 41.865 42.059 -0.109 0.000 0.905 643 L HN 0.578 nan 8.230 nan 0.000 0.439 644 R N -0.979 119.472 120.500 -0.082 0.000 2.698 644 R HA 0.453 4.833 4.340 0.066 0.000 0.275 644 R C -1.711 174.531 176.300 -0.097 0.000 1.001 644 R CA -0.407 55.645 56.100 -0.079 0.000 0.896 644 R CB 2.127 32.397 30.300 -0.050 0.000 1.218 644 R HN -0.151 nan 8.270 nan 0.000 0.462 645 T N 2.319 116.788 114.554 -0.142 0.000 2.928 645 T HA 0.302 4.692 4.350 0.066 0.000 0.296 645 T C -1.685 172.953 174.700 -0.103 0.000 1.000 645 T CA -0.766 61.212 62.100 -0.204 0.000 0.989 645 T CB 1.599 70.146 68.868 -0.535 0.000 1.005 645 T HN 0.569 nan 8.240 nan 0.000 0.442 646 D N 2.200 122.554 120.400 -0.076 0.000 2.344 646 D HA 0.586 5.266 4.640 0.066 0.000 0.239 646 D C -0.497 175.776 176.300 -0.046 0.000 1.064 646 D CA -0.384 53.602 54.000 -0.023 0.000 0.829 646 D CB 1.419 42.223 40.800 0.006 0.000 1.129 646 D HN 0.380 nan 8.370 nan 0.000 0.506 647 I N 2.206 122.767 120.570 -0.014 0.000 2.530 647 I HA 0.387 4.597 4.170 0.066 0.000 0.297 647 I C -0.938 175.207 176.117 0.047 0.000 1.011 647 I CA -0.987 60.312 61.300 -0.002 0.000 1.107 647 I CB 1.828 39.824 38.000 -0.007 0.000 1.285 647 I HN 0.183 nan 8.210 nan 0.000 0.436 648 L N 6.228 127.491 121.223 0.066 0.000 2.470 648 L HA 0.370 4.750 4.340 0.066 0.000 0.253 648 L C -0.682 176.263 176.870 0.125 0.000 1.163 648 L CA -0.174 54.731 54.840 0.109 0.000 0.932 648 L CB 0.360 42.480 42.059 0.102 0.000 1.213 648 L HN 0.526 nan 8.230 nan 0.000 0.485 649 H N 0.751 119.867 119.070 0.075 0.000 2.482 649 H HA 0.445 5.041 4.556 0.066 0.000 0.344 649 H C -0.956 174.462 175.328 0.150 0.000 1.151 649 H CA -0.278 55.818 56.048 0.080 0.000 1.300 649 H CB 1.391 31.191 29.762 0.064 0.000 1.494 649 H HN 0.489 nan 8.280 nan 0.000 0.542 650 D N 2.162 122.389 120.400 -0.289 0.000 2.349 650 D HA 0.356 5.036 4.640 0.066 0.000 0.232 650 D C -0.580 175.791 176.300 0.117 0.000 1.071 650 D CA -0.362 53.660 54.000 0.036 0.000 0.832 650 D CB 0.934 41.734 40.800 -0.001 0.000 1.086 650 D HN 0.614 nan 8.370 nan 0.000 0.504 651 A N 3.213 126.171 122.820 0.229 0.000 2.535 651 A HA 0.640 5.000 4.320 0.066 0.000 0.273 651 A C 1.341 179.010 177.584 0.141 0.000 1.267 651 A CA 0.387 52.547 52.037 0.206 0.000 0.940 651 A CB -0.489 18.627 19.000 0.192 0.000 1.101 651 A HN 0.919 nan 8.150 nan 0.000 0.521 652 G N 0.431 109.325 108.800 0.158 0.000 2.591 652 G HA2 0.011 4.011 3.960 0.066 0.000 0.298 652 G HA3 0.011 4.011 3.960 0.066 0.000 0.298 652 G C 0.804 175.738 174.900 0.056 0.000 1.195 652 G CA 0.246 45.410 45.100 0.106 0.000 0.989 652 G HN 1.808 nan 8.290 nan 0.000 0.551 653 A N 0.152 122.987 122.820 0.026 0.000 3.091 653 A HA 0.669 5.028 4.320 0.066 0.000 0.264 653 A C 0.976 178.574 177.584 0.023 0.000 1.673 653 A CA 1.496 53.543 52.037 0.016 0.000 1.362 653 A CB -0.608 18.404 19.000 0.020 0.000 1.137 653 A HN 2.248 nan 8.150 nan 0.000 0.617 654 S N 0.947 116.663 115.700 0.027 0.000 2.715 654 S HA -0.010 4.499 4.470 0.066 0.000 0.318 654 S C 1.288 175.887 174.600 -0.003 0.000 1.242 654 S CA -0.041 58.175 58.200 0.026 0.000 1.044 654 S CB -0.137 63.081 63.200 0.030 0.000 0.760 654 S HN 0.550 nan 8.310 nan 0.000 0.501 655 L N 3.572 124.794 121.223 -0.002 0.000 2.201 655 L HA 0.084 4.463 4.340 0.066 0.000 0.212 655 L C 1.317 178.153 176.870 -0.057 0.000 1.105 655 L CA 0.710 55.525 54.840 -0.040 0.000 0.775 655 L CB -0.204 41.843 42.059 -0.020 0.000 0.913 655 L HN 0.677 nan 8.230 nan 0.000 0.440 656 N N -1.218 117.466 118.700 -0.027 0.000 2.747 656 N HA 0.098 4.878 4.740 0.066 0.000 0.262 656 N C -2.298 173.208 175.510 -0.005 0.000 1.261 656 N CA -1.059 51.976 53.050 -0.024 0.000 0.809 656 N CB 1.451 39.926 38.487 -0.020 0.000 1.450 656 N HN -0.286 nan 8.380 nan 0.000 0.560 657 P HA -0.183 nan 4.420 nan 0.000 0.214 657 P C 1.182 178.484 177.300 0.002 0.000 1.163 657 P CA 1.638 64.739 63.100 0.001 0.000 0.889 657 P CB 0.273 31.968 31.700 -0.009 0.000 0.790 658 A N 0.384 123.203 122.820 -0.002 0.000 1.849 658 A HA -0.210 4.149 4.320 0.066 0.000 0.217 658 A C 2.535 180.125 177.584 0.011 0.000 1.202 658 A CA 2.133 54.171 52.037 0.001 0.000 0.629 658 A CB -1.757 17.246 19.000 0.006 0.000 0.834 658 A HN 0.117 nan 8.150 nan 0.000 0.447 659 L N -0.688 120.550 121.223 0.024 0.000 2.051 659 L HA -0.294 4.086 4.340 0.066 0.000 0.214 659 L C 2.309 179.198 176.870 0.031 0.000 1.076 659 L CA 1.876 56.741 54.840 0.042 0.000 0.758 659 L CB -0.733 41.355 42.059 0.048 0.000 0.890 659 L HN 0.390 nan 8.230 nan 0.000 0.433 660 D N -0.112 120.303 120.400 0.024 0.000 2.097 660 D HA -0.131 4.549 4.640 0.066 0.000 0.197 660 D C 2.230 178.535 176.300 0.008 0.000 0.984 660 D CA 1.173 55.189 54.000 0.027 0.000 0.826 660 D CB -0.161 40.665 40.800 0.045 0.000 0.973 660 D HN 0.274 nan 8.370 nan 0.000 0.460 661 I N 0.943 121.511 120.570 -0.003 0.000 2.194 661 I HA -0.224 3.985 4.170 0.066 0.000 0.246 661 I C 2.540 178.617 176.117 -0.066 0.000 1.093 661 I CA 1.484 62.762 61.300 -0.038 0.000 1.355 661 I CB -0.590 37.380 38.000 -0.050 0.000 1.046 661 I HN 0.031 nan 8.210 nan 0.000 0.413 662 G N 0.086 108.862 108.800 -0.041 0.000 2.476 662 G HA2 -0.266 3.734 3.960 0.066 0.000 0.218 662 G HA3 -0.266 3.734 3.960 0.066 0.000 0.218 662 G C 1.577 176.470 174.900 -0.011 0.000 1.164 662 G CA 0.548 45.629 45.100 -0.032 0.000 0.768 662 G HN 0.322 nan 8.290 nan 0.000 0.560 663 Q N 0.133 119.936 119.800 0.006 0.000 2.096 663 Q HA -0.057 4.323 4.340 0.066 0.000 0.204 663 Q C 2.769 178.761 176.000 -0.013 0.000 0.982 663 Q CA 1.034 56.848 55.803 0.019 0.000 0.850 663 Q CB -0.291 28.457 28.738 0.016 0.000 0.901 663 Q HN 0.611 nan 8.270 nan 0.000 0.422 664 I N 0.798 121.331 120.570 -0.062 0.000 2.179 664 I HA -0.268 3.942 4.170 0.066 0.000 0.242 664 I C 2.260 178.379 176.117 0.003 0.000 1.088 664 I CA 1.170 62.413 61.300 -0.095 0.000 1.357 664 I CB -0.290 37.639 38.000 -0.118 0.000 1.051 664 I HN 0.207 nan 8.210 nan 0.000 0.409 665 E N 0.931 121.097 120.200 -0.057 0.000 2.023 665 E HA -0.204 4.186 4.350 0.066 0.000 0.196 665 E C 2.329 179.037 176.600 0.179 0.000 1.003 665 E CA 1.427 57.798 56.400 -0.048 0.000 0.809 665 E CB -0.534 28.936 29.700 -0.382 0.000 0.755 665 E HN 0.598 nan 8.360 nan 0.000 0.449 666 G N 1.237 110.085 108.800 0.080 0.000 2.491 666 G HA2 -0.330 3.670 3.960 0.066 0.000 0.218 666 G HA3 -0.330 3.670 3.960 0.066 0.000 0.218 666 G C 1.721 176.671 174.900 0.084 0.000 1.180 666 G CA 1.275 46.432 45.100 0.094 0.000 0.774 666 G HN 0.376 nan 8.290 nan 0.000 0.562 667 A N -0.326 122.546 122.820 0.086 0.000 1.978 667 A HA -0.053 4.307 4.320 0.066 0.000 0.220 667 A C 2.209 179.755 177.584 -0.063 0.000 1.170 667 A CA 1.849 53.921 52.037 0.058 0.000 0.636 667 A CB -0.583 18.459 19.000 0.068 0.000 0.810 667 A HN 0.587 nan 8.150 nan 0.000 0.448 668 Y N 0.285 120.543 120.300 -0.070 0.000 2.220 668 Y HA -0.099 4.491 4.550 0.066 0.000 0.291 668 Y C 2.223 178.033 175.900 -0.150 0.000 1.129 668 Y CA 1.768 59.811 58.100 -0.095 0.000 1.161 668 Y CB -0.308 38.189 38.460 0.061 0.000 0.997 668 Y HN 0.042 nan 8.280 nan 0.000 0.522 669 V N 0.933 120.746 119.914 -0.170 0.000 2.427 669 V HA -0.295 3.864 4.120 0.066 0.000 0.248 669 V C 2.419 178.312 176.094 -0.335 0.000 1.051 669 V CA 2.284 64.414 62.300 -0.284 0.000 1.048 669 V CB -0.695 31.105 31.823 -0.037 0.000 0.666 669 V HN 0.470 nan 8.190 nan 0.000 0.456 670 Q N -0.121 119.513 119.800 -0.277 0.000 2.167 670 Q HA -0.130 4.250 4.340 0.066 0.000 0.202 670 Q C 2.254 177.913 176.000 -0.567 0.000 0.970 670 Q CA 1.634 57.262 55.803 -0.292 0.000 0.855 670 Q CB -0.284 28.361 28.738 -0.154 0.000 0.911 670 Q HN 0.693 nan 8.270 nan 0.000 0.438 671 G N 0.254 108.504 108.800 -0.918 0.000 2.404 671 G HA2 -0.219 3.781 3.960 0.066 0.000 0.215 671 G HA3 -0.219 3.781 3.960 0.066 0.000 0.215 671 G C 1.413 175.962 174.900 -0.586 0.000 1.174 671 G CA 0.827 45.154 45.100 -1.288 0.000 0.780 671 G HN 0.452 nan 8.290 nan 0.000 0.537 672 A N 0.791 123.247 122.820 -0.607 0.000 1.969 672 A HA 0.218 4.578 4.320 0.066 0.000 0.218 672 A C 2.664 180.064 177.584 -0.308 0.000 1.169 672 A CA 1.870 53.632 52.037 -0.458 0.000 0.635 672 A CB -0.915 17.694 19.000 -0.650 0.000 0.810 672 A HN 0.517 nan 8.150 nan 0.000 0.445 673 G N -1.494 107.124 108.800 -0.304 0.000 2.450 673 G HA2 -0.285 3.715 3.960 0.066 0.000 0.220 673 G HA3 -0.285 3.715 3.960 0.066 0.000 0.220 673 G C 1.322 176.157 174.900 -0.109 0.000 1.130 673 G CA 1.101 46.075 45.100 -0.209 0.000 0.760 673 G HN 0.743 nan 8.290 nan 0.000 0.557 674 W N 0.810 121.949 121.300 -0.268 0.000 2.436 674 W HA 0.203 4.904 4.660 0.067 0.000 0.284 674 W C 1.532 177.950 176.519 -0.168 0.000 1.225 674 W CA 0.600 57.836 57.345 -0.181 0.000 1.271 674 W CB -0.069 29.322 29.460 -0.115 0.000 1.114 674 W HN 0.093 nan 8.180 nan 0.000 0.559 675 L N 0.777 121.772 121.223 -0.380 0.000 2.728 675 L HA 0.175 4.555 4.340 0.066 0.000 0.238 675 L C 1.793 178.520 176.870 -0.240 0.000 1.143 675 L CA 0.870 55.389 54.840 -0.535 0.000 0.937 675 L CB -0.418 41.303 42.059 -0.562 0.000 1.225 675 L HN 0.019 nan 8.230 nan 0.000 0.507 676 T N -5.533 108.907 114.554 -0.190 0.000 3.478 676 T HA -0.010 4.379 4.350 0.066 0.000 0.223 676 T C 1.576 176.190 174.700 -0.142 0.000 0.958 676 T CA 0.803 62.825 62.100 -0.130 0.000 1.324 676 T CB -0.276 68.514 68.868 -0.130 0.000 1.262 676 T HN 0.092 nan 8.240 nan 0.000 0.379 677 T N -0.250 114.199 114.554 -0.175 0.000 3.037 677 T HA 0.281 4.671 4.350 0.066 0.000 0.252 677 T C 0.573 175.108 174.700 -0.275 0.000 1.073 677 T CA -0.135 61.847 62.100 -0.197 0.000 1.091 677 T CB -0.398 68.351 68.868 -0.198 0.000 0.935 677 T HN 0.448 nan 8.240 nan 0.000 0.488 678 E N 2.206 122.220 120.200 -0.311 0.000 2.104 678 E HA 0.273 4.662 4.350 0.066 0.000 0.278 678 E C -0.393 176.074 176.600 -0.221 0.000 1.127 678 E CA -0.003 56.109 56.400 -0.479 0.000 0.897 678 E CB 0.506 29.999 29.700 -0.345 0.000 1.043 678 E HN 0.518 nan 8.360 nan 0.000 0.410 679 E N 4.373 124.451 120.200 -0.202 0.000 2.246 679 E HA 0.256 4.646 4.350 0.066 0.000 0.266 679 E C -1.209 175.459 176.600 0.115 0.000 0.880 679 E CA -0.658 55.739 56.400 -0.006 0.000 0.762 679 E CB 1.051 30.726 29.700 -0.041 0.000 1.180 679 E HN 0.378 nan 8.360 nan 0.000 0.416 680 L N 3.854 125.160 121.223 0.137 0.000 2.292 680 L HA 0.470 4.849 4.340 0.066 0.000 0.284 680 L C -0.723 176.090 176.870 -0.096 0.000 1.065 680 L CA -0.755 54.069 54.840 -0.027 0.000 0.806 680 L CB 1.573 43.544 42.059 -0.147 0.000 1.175 680 L HN 0.341 nan 8.230 nan 0.000 0.431 681 V N 2.350 122.132 119.914 -0.219 0.000 2.525 681 V HA 0.387 4.547 4.120 0.066 0.000 0.299 681 V C -0.741 175.256 176.094 -0.161 0.000 1.034 681 V CA -0.648 61.607 62.300 -0.075 0.000 0.863 681 V CB 1.880 33.702 31.823 -0.001 0.000 0.999 681 V HN 0.598 nan 8.190 nan 0.000 0.423 682 W N 3.135 124.475 121.300 0.068 0.000 2.512 682 W HA 0.437 5.137 4.660 0.066 0.000 0.335 682 W C 0.041 176.589 176.519 0.048 0.000 1.088 682 W CA -0.339 57.038 57.345 0.053 0.000 1.236 682 W CB 2.079 31.567 29.460 0.046 0.000 1.307 682 W HN 0.739 nan 8.180 nan 0.000 0.567 683 D N 0.020 120.565 120.400 0.241 0.000 2.506 683 D HA -0.031 4.648 4.640 0.066 0.000 0.272 683 D C 1.594 177.959 176.300 0.108 0.000 1.214 683 D CA -0.004 54.089 54.000 0.154 0.000 1.067 683 D CB -0.001 40.836 40.800 0.062 0.000 1.117 683 D HN 0.517 nan 8.370 nan 0.000 0.578 684 H N -0.803 118.317 119.070 0.083 0.000 2.489 684 H HA -0.102 4.494 4.556 0.067 0.000 0.295 684 H C 1.150 176.504 175.328 0.042 0.000 1.082 684 H CA 1.315 57.396 56.048 0.056 0.000 1.295 684 H CB -1.020 28.764 29.762 0.037 0.000 1.380 684 H HN 0.446 nan 8.280 nan 0.000 0.548 685 C N -1.004 118.138 119.300 -0.264 0.000 2.760 685 C HA 0.753 5.253 4.460 0.066 0.000 0.293 685 C C 1.739 176.682 174.990 -0.078 0.000 1.383 685 C CA -0.249 58.673 59.018 -0.161 0.000 1.771 685 C CB -0.541 27.060 27.740 -0.232 0.000 2.353 685 C HN 0.763 nan 8.230 nan 0.000 0.578 686 G N 1.437 110.241 108.800 0.006 0.000 2.148 686 G HA2 -0.235 3.765 3.960 0.066 0.000 0.254 686 G HA3 -0.235 3.765 3.960 0.066 0.000 0.254 686 G C 0.070 175.142 174.900 0.286 0.000 0.981 686 G CA -0.170 44.992 45.100 0.102 0.000 0.670 686 G HN 0.740 nan 8.290 nan 0.000 0.528 687 R N -0.396 120.198 120.500 0.158 0.000 2.347 687 R HA 0.420 4.799 4.340 0.066 0.000 0.304 687 R C 0.297 176.692 176.300 0.159 0.000 1.072 687 R CA -0.717 55.455 56.100 0.120 0.000 0.980 687 R CB 0.999 31.294 30.300 -0.008 0.000 0.986 687 R HN 0.224 nan 8.270 nan 0.000 0.448 688 L N 3.904 125.166 121.223 0.065 0.000 2.433 688 L HA 0.021 4.401 4.340 0.066 0.000 0.275 688 L C 0.844 177.718 176.870 0.005 0.000 1.128 688 L CA 0.373 55.095 54.840 -0.196 0.000 0.875 688 L CB 0.726 42.638 42.059 -0.245 0.000 1.171 688 L HN 0.665 nan 8.230 nan 0.000 0.463 689 M N 2.160 121.736 119.600 -0.040 0.000 2.193 689 M HA 0.033 4.552 4.480 0.066 0.000 0.265 689 M C 1.203 177.482 176.300 -0.035 0.000 1.071 689 M CA 1.199 56.517 55.300 0.030 0.000 1.140 689 M CB -0.568 32.038 32.600 0.009 0.000 1.369 689 M HN 0.729 nan 8.290 nan 0.000 0.423 690 T N -0.325 114.177 114.554 -0.086 0.000 3.455 690 T HA 0.119 4.509 4.350 0.066 0.000 0.286 690 T C 0.393 175.068 174.700 -0.042 0.000 1.157 690 T CA -0.369 61.694 62.100 -0.062 0.000 1.090 690 T CB -0.955 67.927 68.868 0.023 0.000 1.112 690 T HN 0.575 nan 8.240 nan 0.000 0.779 691 H N 0.670 119.720 119.070 -0.034 0.000 2.567 691 H HA 0.675 5.271 4.556 0.066 0.000 0.267 691 H C -0.160 175.166 175.328 -0.002 0.000 1.148 691 H CA -0.760 55.257 56.048 -0.052 0.000 1.031 691 H CB -0.110 29.607 29.762 -0.075 0.000 1.691 691 H HN 0.653 nan 8.280 nan 0.000 0.588 692 A N 1.457 124.250 122.820 -0.045 0.000 2.593 692 A HA 0.506 4.866 4.320 0.066 0.000 0.290 692 A C -2.427 175.291 177.584 0.223 0.000 1.126 692 A CA -1.512 50.551 52.037 0.044 0.000 0.695 692 A CB 1.567 20.524 19.000 -0.071 0.000 1.290 692 A HN 0.006 nan 8.150 nan 0.000 0.414 693 P HA 0.050 nan 4.420 nan 0.000 0.241 693 P C 0.880 178.244 177.300 0.106 0.000 1.191 693 P CA 1.187 64.483 63.100 0.326 0.000 0.771 693 P CB 0.268 32.202 31.700 0.389 0.000 0.929 694 S N -1.554 114.183 115.700 0.062 0.000 2.527 694 S HA -0.009 4.501 4.470 0.066 0.000 0.222 694 S C 1.371 175.960 174.600 -0.019 0.000 0.985 694 S CA 1.366 59.570 58.200 0.006 0.000 0.921 694 S CB -0.712 62.481 63.200 -0.011 0.000 0.772 694 S HN 0.339 nan 8.310 nan 0.000 0.529 695 T N -2.944 111.607 114.554 -0.005 0.000 3.051 695 T HA 0.225 4.615 4.350 0.066 0.000 0.254 695 T C -0.098 174.620 174.700 0.030 0.000 0.916 695 T CA -0.321 61.767 62.100 -0.020 0.000 0.894 695 T CB -0.272 68.552 68.868 -0.072 0.000 1.251 695 T HN 0.262 nan 8.240 nan 0.000 0.517 696 Y N 3.605 123.886 120.300 -0.032 0.000 2.434 696 Y HA 0.532 5.122 4.550 0.067 0.000 0.341 696 Y C -0.779 175.053 175.900 -0.113 0.000 0.965 696 Y CA -1.230 56.855 58.100 -0.025 0.000 1.205 696 Y CB 0.647 39.156 38.460 0.082 0.000 1.121 696 Y HN -0.188 nan 8.280 nan 0.000 0.507 697 K N 8.895 128.983 120.400 -0.521 0.000 2.290 697 K HA 0.242 4.602 4.320 0.066 0.000 0.250 697 K C -0.085 176.210 176.600 -0.509 0.000 1.092 697 K CA -0.343 55.694 56.287 -0.417 0.000 1.006 697 K CB -0.236 32.108 32.500 -0.261 0.000 1.549 697 K HN 0.794 nan 8.250 nan 0.000 0.436 698 I N -0.694 119.545 120.570 -0.553 0.000 3.112 698 I HA 0.182 4.392 4.170 0.066 0.000 0.284 698 I C -1.873 174.068 176.117 -0.292 0.000 1.227 698 I CA -2.064 58.981 61.300 -0.425 0.000 1.369 698 I CB -0.409 37.311 38.000 -0.468 0.000 1.376 698 I HN 0.146 nan 8.210 nan 0.000 0.608 699 P HA 0.213 nan 4.420 nan 0.000 0.271 699 P C -0.654 176.566 177.300 -0.132 0.000 1.233 699 P CA -0.041 62.953 63.100 -0.177 0.000 0.764 699 P CB 0.742 32.334 31.700 -0.179 0.000 0.825 700 A N 3.132 125.895 122.820 -0.094 0.000 2.257 700 A HA 0.317 4.677 4.320 0.066 0.000 0.289 700 A C 1.031 178.634 177.584 0.033 0.000 1.095 700 A CA -0.525 51.499 52.037 -0.022 0.000 0.836 700 A CB -0.202 18.792 19.000 -0.010 0.000 1.111 700 A HN 0.551 nan 8.150 nan 0.000 0.497 701 F N 1.388 121.320 119.950 -0.030 0.000 2.063 701 F HA -0.324 4.242 4.527 0.065 0.000 0.298 701 F C 2.764 178.559 175.800 -0.008 0.000 1.105 701 F CA 3.147 61.142 58.000 -0.008 0.000 1.215 701 F CB -0.048 38.952 39.000 0.001 0.000 0.972 701 F HN 0.587 nan 8.300 nan 0.000 0.483 702 S N -0.738 115.135 115.700 0.288 0.000 2.442 702 S HA -0.187 4.323 4.470 0.066 0.000 0.236 702 S C 1.573 176.197 174.600 0.041 0.000 1.007 702 S CA 1.334 59.645 58.200 0.185 0.000 0.965 702 S CB -0.652 62.622 63.200 0.123 0.000 0.773 702 S HN 0.460 nan 8.310 nan 0.000 0.504 703 D N 2.251 122.641 120.400 -0.017 0.000 2.310 703 D HA -0.043 4.637 4.640 0.066 0.000 0.212 703 D C 0.891 177.127 176.300 -0.106 0.000 0.965 703 D CA 0.479 54.437 54.000 -0.071 0.000 0.879 703 D CB -0.397 40.343 40.800 -0.099 0.000 0.921 703 D HN 0.744 nan 8.370 nan 0.000 0.510 704 R N 2.023 122.453 120.500 -0.118 0.000 2.537 704 R HA 0.113 4.492 4.340 0.066 0.000 0.281 704 R C -2.340 173.880 176.300 -0.132 0.000 0.988 704 R CA -0.906 55.115 56.100 -0.132 0.000 1.077 704 R CB -0.823 29.405 30.300 -0.120 0.000 0.932 704 R HN -0.083 nan 8.270 nan 0.000 0.409 705 P HA -0.048 nan 4.420 nan 0.000 0.257 705 P C -0.039 177.195 177.300 -0.110 0.000 1.189 705 P CA 0.005 62.972 63.100 -0.222 0.000 0.780 705 P CB 0.866 32.311 31.700 -0.424 0.000 0.772 706 R N 4.236 124.704 120.500 -0.054 0.000 2.165 706 R HA -0.120 4.259 4.340 0.066 0.000 0.254 706 R C 0.797 177.107 176.300 0.018 0.000 1.153 706 R CA 1.564 57.661 56.100 -0.006 0.000 0.971 706 R CB -0.598 29.694 30.300 -0.012 0.000 0.878 706 R HN 0.519 nan 8.270 nan 0.000 0.449 707 I N 0.218 120.786 120.570 -0.002 0.000 2.359 707 I HA 0.164 4.373 4.170 0.066 0.000 0.284 707 I C -0.800 175.355 176.117 0.064 0.000 1.018 707 I CA -0.405 60.916 61.300 0.034 0.000 1.173 707 I CB 1.080 39.087 38.000 0.012 0.000 1.326 707 I HN -0.046 nan 8.210 nan 0.000 0.462 708 F N 6.436 126.369 119.950 -0.029 0.000 2.311 708 F HA 0.413 4.980 4.527 0.066 0.000 0.371 708 F C -0.160 175.611 175.800 -0.049 0.000 1.083 708 F CA -0.892 57.080 58.000 -0.048 0.000 1.113 708 F CB 0.667 39.646 39.000 -0.035 0.000 1.349 708 F HN 0.466 nan 8.300 nan 0.000 0.470 709 N N 5.168 124.026 118.700 0.264 0.000 2.511 709 N HA 0.301 5.081 4.740 0.066 0.000 0.249 709 N C -1.117 174.439 175.510 0.076 0.000 0.971 709 N CA -0.251 52.864 53.050 0.108 0.000 0.938 709 N CB 2.321 40.846 38.487 0.065 0.000 1.131 709 N HN 0.184 nan 8.380 nan 0.000 0.505 710 V N 1.384 121.291 119.914 -0.011 0.000 2.378 710 V HA 0.724 4.884 4.120 0.066 0.000 0.288 710 V C -0.104 175.984 176.094 -0.010 0.000 1.016 710 V CA -0.824 61.458 62.300 -0.031 0.000 0.840 710 V CB 1.201 32.939 31.823 -0.141 0.000 0.994 710 V HN 0.696 nan 8.190 nan 0.000 0.431 711 A N 5.552 128.392 122.820 0.033 0.000 2.350 711 A HA 0.881 5.240 4.320 0.066 0.000 0.324 711 A C -0.850 176.791 177.584 0.095 0.000 1.118 711 A CA -0.635 51.432 52.037 0.050 0.000 0.783 711 A CB 1.131 20.164 19.000 0.055 0.000 1.236 711 A HN 0.786 nan 8.150 nan 0.000 0.457 712 L N 2.415 123.692 121.223 0.089 0.000 2.305 712 L HA 0.224 4.604 4.340 0.066 0.000 0.281 712 L C -0.119 176.850 176.870 0.166 0.000 1.085 712 L CA -0.416 54.505 54.840 0.134 0.000 0.813 712 L CB 0.933 43.046 42.059 0.091 0.000 1.157 712 L HN 0.812 nan 8.230 nan 0.000 0.436 713 W N 5.344 126.655 121.300 0.018 0.000 2.437 713 W HA 0.099 4.798 4.660 0.066 0.000 0.312 713 W C -0.776 175.744 176.519 0.001 0.000 1.242 713 W CA -0.366 56.977 57.345 -0.003 0.000 1.340 713 W CB 1.097 30.544 29.460 -0.020 0.000 1.327 713 W HN 0.494 nan 8.180 nan 0.000 0.476 714 D N 5.250 125.479 120.400 -0.285 0.000 2.472 714 D HA 0.140 4.819 4.640 0.066 0.000 0.234 714 D C -0.863 175.247 176.300 -0.316 0.000 1.088 714 D CA 0.153 54.032 54.000 -0.202 0.000 0.882 714 D CB 0.593 41.311 40.800 -0.136 0.000 1.037 714 D HN 0.439 nan 8.370 nan 0.000 0.520 715 Q N 3.875 123.557 119.800 -0.198 0.000 2.313 715 Q HA 0.334 4.714 4.340 0.066 0.000 0.255 715 Q C -2.809 173.188 176.000 -0.005 0.000 0.944 715 Q CA -1.954 53.761 55.803 -0.147 0.000 0.881 715 Q CB 1.938 30.542 28.738 -0.223 0.000 1.375 715 Q HN 0.149 nan 8.270 nan 0.000 0.422 716 P HA -0.045 nan 4.420 nan 0.000 0.266 716 P C -0.587 176.713 177.300 -0.000 0.000 1.193 716 P CA 0.028 63.125 63.100 -0.005 0.000 0.770 716 P CB 0.488 32.182 31.700 -0.011 0.000 0.836 717 N N 2.182 120.857 118.700 -0.042 0.000 2.492 717 N HA 0.001 4.781 4.740 0.066 0.000 0.260 717 N C 1.234 176.703 175.510 -0.068 0.000 1.215 717 N CA 0.238 53.229 53.050 -0.099 0.000 0.923 717 N CB 0.383 38.705 38.487 -0.275 0.000 1.092 717 N HN 0.229 nan 8.380 nan 0.000 0.448 718 R N 0.881 121.358 120.500 -0.039 0.000 2.092 718 R HA -0.022 4.357 4.340 0.066 0.000 0.231 718 R C -0.026 176.258 176.300 -0.027 0.000 1.119 718 R CA 0.883 56.977 56.100 -0.011 0.000 0.970 718 R CB 0.094 30.412 30.300 0.029 0.000 0.864 718 R HN 0.630 nan 8.270 nan 0.000 0.440 719 E N 0.924 121.087 120.200 -0.061 0.000 2.319 719 E HA 0.025 4.414 4.350 0.066 0.000 0.268 719 E C -0.440 176.117 176.600 -0.071 0.000 1.050 719 E CA -0.035 56.339 56.400 -0.042 0.000 0.878 719 E CB 0.856 30.552 29.700 -0.005 0.000 1.066 719 E HN 0.080 nan 8.360 nan 0.000 0.406 720 E N 1.030 121.211 120.200 -0.032 0.000 2.773 720 E HA 0.006 4.396 4.350 0.066 0.000 0.302 720 E C -0.030 176.523 176.600 -0.078 0.000 1.574 720 E CA -0.123 56.246 56.400 -0.052 0.000 1.775 720 E CB -0.303 29.380 29.700 -0.028 0.000 1.413 720 E HN 0.396 nan 8.360 nan 0.000 0.471 721 T N -1.650 112.839 114.554 -0.108 0.000 2.856 721 T HA 0.058 4.447 4.350 0.066 0.000 0.306 721 T C 0.639 175.248 174.700 -0.151 0.000 1.062 721 T CA -0.958 61.067 62.100 -0.124 0.000 1.083 721 T CB 0.793 69.569 68.868 -0.153 0.000 0.984 721 T HN 0.140 nan 8.240 nan 0.000 0.542 722 I N 2.848 123.315 120.570 -0.172 0.000 3.045 722 I HA 0.039 4.249 4.170 0.066 0.000 0.306 722 I C 0.148 176.277 176.117 0.021 0.000 1.232 722 I CA -0.322 60.899 61.300 -0.133 0.000 1.415 722 I CB -1.551 36.409 38.000 -0.066 0.000 1.364 722 I HN 0.754 nan 8.210 nan 0.000 0.538 723 F N 7.487 127.383 119.950 -0.090 0.000 2.925 723 F HA -0.332 4.235 4.527 0.065 0.000 0.239 723 F C 1.209 176.968 175.800 -0.069 0.000 1.009 723 F CA 1.090 59.049 58.000 -0.068 0.000 0.847 723 F CB -1.101 37.864 39.000 -0.057 0.000 0.719 723 F HN 0.695 nan 8.300 nan 0.000 0.826 724 R N -2.548 117.956 120.500 0.008 0.000 3.932 724 R HA -0.241 4.138 4.340 0.066 0.000 0.318 724 R C 0.746 177.025 176.300 -0.035 0.000 1.219 724 R CA 0.973 57.055 56.100 -0.029 0.000 0.889 724 R CB -2.543 27.756 30.300 -0.003 0.000 1.309 724 R HN 0.591 nan 8.270 nan 0.000 0.537 725 S N 0.162 115.855 115.700 -0.012 0.000 2.641 725 S HA 0.555 5.065 4.470 0.066 0.000 0.261 725 S C 0.242 174.800 174.600 -0.070 0.000 1.257 725 S CA -0.529 57.669 58.200 -0.004 0.000 0.983 725 S CB 2.206 65.429 63.200 0.038 0.000 0.990 725 S HN 0.268 nan 8.310 nan 0.000 0.572 726 K N -0.564 119.841 120.400 0.009 0.000 2.385 726 K HA 0.680 5.039 4.320 0.066 0.000 0.248 726 K C -0.634 176.086 176.600 0.199 0.000 0.955 726 K CA -0.812 55.516 56.287 0.069 0.000 0.816 726 K CB 1.986 34.558 32.500 0.120 0.000 1.250 726 K HN 0.855 nan 8.250 nan 0.000 0.434 727 A N 1.242 124.265 122.820 0.338 0.000 2.407 727 A HA 0.250 4.610 4.320 0.066 0.000 0.248 727 A C 0.264 177.966 177.584 0.197 0.000 1.082 727 A CA -0.171 51.996 52.037 0.217 0.000 0.785 727 A CB 0.856 19.954 19.000 0.163 0.000 1.020 727 A HN 0.522 nan 8.150 nan 0.000 0.489 728 V N 2.152 122.142 119.914 0.126 0.000 3.392 728 V HA 0.224 4.383 4.120 0.066 0.000 0.294 728 V C 1.568 177.670 176.094 0.014 0.000 1.561 728 V CA 1.077 63.437 62.300 0.099 0.000 1.056 728 V CB -0.020 31.860 31.823 0.095 0.000 0.882 728 V HN 1.114 nan 8.190 nan 0.000 0.440 729 G N 0.272 109.082 108.800 0.016 0.000 2.433 729 G HA2 -0.189 3.811 3.960 0.066 0.000 0.216 729 G HA3 -0.189 3.811 3.960 0.066 0.000 0.216 729 G C 1.182 176.064 174.900 -0.031 0.000 1.186 729 G CA 1.464 46.566 45.100 0.004 0.000 0.779 729 G HN 0.585 nan 8.290 nan 0.000 0.543 730 E N 0.117 120.241 120.200 -0.126 0.000 2.206 730 E HA 0.032 4.422 4.350 0.066 0.000 0.195 730 E C -0.271 176.007 176.600 -0.537 0.000 0.935 730 E CA -0.010 56.197 56.400 -0.321 0.000 0.875 730 E CB 0.143 29.584 29.700 -0.431 0.000 0.841 730 E HN 0.246 nan 8.360 nan 0.000 0.477 731 P HA -0.183 nan 4.420 nan 0.000 0.218 731 P C -1.621 175.601 177.300 -0.130 0.000 1.154 731 P CA 2.161 64.998 63.100 -0.439 0.000 0.872 731 P CB -1.147 30.619 31.700 0.110 0.000 0.790 732 P HA -0.092 nan 4.420 nan 0.000 0.237 732 P C 1.635 178.932 177.300 -0.005 0.000 1.178 732 P CA 0.426 63.405 63.100 -0.202 0.000 0.766 732 P CB -0.637 30.746 31.700 -0.529 0.000 0.876 733 F N 1.379 121.233 119.950 -0.160 0.000 2.126 733 F HA -0.194 4.373 4.527 0.066 0.000 0.299 733 F C 1.785 177.550 175.800 -0.059 0.000 1.096 733 F CA 1.286 59.214 58.000 -0.120 0.000 1.255 733 F CB -0.647 38.228 39.000 -0.209 0.000 0.997 733 F HN -0.268 nan 8.300 nan 0.000 0.479 734 L N 0.273 121.627 121.223 0.217 0.000 2.549 734 L HA -0.172 4.208 4.340 0.066 0.000 0.229 734 L C 1.902 178.874 176.870 0.170 0.000 1.158 734 L CA 0.759 55.723 54.840 0.207 0.000 0.842 734 L CB -0.661 41.477 42.059 0.133 0.000 0.952 734 L HN 0.241 nan 8.230 nan 0.000 0.452 735 L N -0.999 120.318 121.223 0.156 0.000 2.362 735 L HA -0.086 4.294 4.340 0.066 0.000 0.219 735 L C 2.489 179.524 176.870 0.275 0.000 1.134 735 L CA 0.894 55.860 54.840 0.211 0.000 0.807 735 L CB -0.951 41.243 42.059 0.225 0.000 0.927 735 L HN 0.380 nan 8.230 nan 0.000 0.447 736 G N 0.238 109.096 108.800 0.097 0.000 2.443 736 G HA2 -0.183 3.817 3.960 0.066 0.000 0.219 736 G HA3 -0.183 3.817 3.960 0.066 0.000 0.219 736 G C 1.562 176.488 174.900 0.043 0.000 1.131 736 G CA 0.245 45.290 45.100 -0.093 0.000 0.775 736 G HN 0.320 nan 8.290 nan 0.000 0.547 737 I N 0.978 121.633 120.570 0.140 0.000 2.530 737 I HA -0.204 4.006 4.170 0.066 0.000 0.257 737 I C 2.915 179.145 176.117 0.187 0.000 1.179 737 I CA 1.044 62.452 61.300 0.180 0.000 1.440 737 I CB -0.106 38.018 38.000 0.207 0.000 1.087 737 I HN 0.255 nan 8.210 nan 0.000 0.440 738 S N 0.571 116.379 115.700 0.179 0.000 2.382 738 S HA -0.188 4.321 4.470 0.066 0.000 0.228 738 S C 2.209 176.895 174.600 0.144 0.000 1.027 738 S CA 1.471 59.768 58.200 0.163 0.000 0.991 738 S CB -0.089 63.215 63.200 0.172 0.000 0.823 738 S HN 0.515 nan 8.310 nan 0.000 0.469 739 A N 0.355 123.260 122.820 0.142 0.000 1.873 739 A HA 0.023 4.383 4.320 0.066 0.000 0.215 739 A C 1.965 179.595 177.584 0.077 0.000 1.186 739 A CA 1.491 53.575 52.037 0.079 0.000 0.616 739 A CB -1.016 17.974 19.000 -0.017 0.000 0.823 739 A HN 0.667 nan 8.150 nan 0.000 0.442 740 F N -0.176 119.745 119.950 -0.048 0.000 2.234 740 F HA -0.057 4.510 4.527 0.067 0.000 0.299 740 F C 1.704 177.500 175.800 -0.007 0.000 1.087 740 F CA 0.973 58.938 58.000 -0.058 0.000 1.340 740 F CB -0.070 38.868 39.000 -0.104 0.000 1.031 740 F HN 0.132 nan 8.300 nan 0.000 0.500 741 L N 0.332 121.551 121.223 -0.007 0.000 2.072 741 L HA 0.022 4.402 4.340 0.066 0.000 0.205 741 L C 2.673 179.540 176.870 -0.005 0.000 1.079 741 L CA 1.844 56.661 54.840 -0.039 0.000 0.752 741 L CB -1.745 40.359 42.059 0.075 0.000 0.906 741 L HN 0.205 nan 8.230 nan 0.000 0.436 742 A N -1.248 121.579 122.820 0.012 0.000 1.930 742 A HA -0.173 4.186 4.320 0.066 0.000 0.217 742 A C 2.210 179.760 177.584 -0.056 0.000 1.175 742 A CA 1.391 53.433 52.037 0.009 0.000 0.627 742 A CB -0.709 18.309 19.000 0.031 0.000 0.815 742 A HN 0.327 nan 8.150 nan 0.000 0.443 743 L N -0.636 120.529 121.223 -0.096 0.000 2.141 743 L HA -0.123 4.257 4.340 0.066 0.000 0.209 743 L C 2.327 179.077 176.870 -0.200 0.000 1.094 743 L CA 2.451 57.211 54.840 -0.134 0.000 0.763 743 L CB -0.778 41.207 42.059 -0.124 0.000 0.908 743 L HN 0.729 nan 8.230 nan 0.000 0.437 744 H N -1.492 117.354 119.070 -0.373 0.000 2.363 744 H HA -0.162 4.434 4.556 0.066 0.000 0.301 744 H C 1.929 177.113 175.328 -0.240 0.000 1.074 744 H CA 1.967 57.774 56.048 -0.401 0.000 1.354 744 H CB -0.146 29.295 29.762 -0.536 0.000 1.397 744 H HN 0.425 nan 8.280 nan 0.000 0.516 745 D N -0.079 120.098 120.400 -0.372 0.000 2.218 745 D HA -0.096 4.584 4.640 0.066 0.000 0.204 745 D C 2.183 178.350 176.300 -0.220 0.000 0.976 745 D CA 1.198 55.016 54.000 -0.303 0.000 0.853 745 D CB -0.353 40.404 40.800 -0.071 0.000 0.939 745 D HN 0.540 nan 8.370 nan 0.000 0.481 746 A N -0.494 122.221 122.820 -0.174 0.000 1.933 746 A HA -0.156 4.204 4.320 0.066 0.000 0.218 746 A C 2.459 179.962 177.584 -0.135 0.000 1.175 746 A CA 1.390 53.359 52.037 -0.114 0.000 0.628 746 A CB -0.877 18.072 19.000 -0.085 0.000 0.814 746 A HN 0.503 nan 8.150 nan 0.000 0.444 747 C N -1.164 118.008 119.300 -0.214 0.000 2.457 747 C HA 0.196 4.696 4.460 0.066 0.000 0.278 747 C C 3.205 178.068 174.990 -0.212 0.000 1.309 747 C CA 0.375 59.270 59.018 -0.205 0.000 1.735 747 C CB -1.231 26.363 27.740 -0.245 0.000 1.992 747 C HN 0.706 nan 8.230 nan 0.000 0.493 748 A N 0.607 123.235 122.820 -0.321 0.000 2.131 748 A HA 0.057 4.417 4.320 0.066 0.000 0.220 748 A C 2.222 179.740 177.584 -0.110 0.000 1.158 748 A CA 1.813 53.709 52.037 -0.234 0.000 0.665 748 A CB -0.526 18.288 19.000 -0.311 0.000 0.795 748 A HN 0.601 nan 8.150 nan 0.000 0.460 749 A N -1.532 121.229 122.820 -0.098 0.000 2.067 749 A HA -0.015 4.345 4.320 0.066 0.000 0.217 749 A C 2.023 179.589 177.584 -0.031 0.000 1.156 749 A CA 1.375 53.385 52.037 -0.045 0.000 0.683 749 A CB -0.819 18.169 19.000 -0.019 0.000 0.808 749 A HN 0.617 nan 8.150 nan 0.000 0.455 750 C N -1.571 117.705 119.300 -0.041 0.000 2.533 750 C HA 0.506 5.006 4.460 0.066 0.000 0.272 750 C C 1.505 176.490 174.990 -0.009 0.000 1.371 750 C CA 0.095 59.095 59.018 -0.029 0.000 1.758 750 C CB -0.915 26.801 27.740 -0.040 0.000 1.972 750 C HN 0.706 nan 8.230 nan 0.000 0.522 751 G N -0.145 108.660 108.800 0.009 0.000 2.606 751 G HA2 0.490 4.490 3.960 0.066 0.000 0.300 751 G HA3 0.490 4.490 3.960 0.066 0.000 0.300 751 G C -2.612 172.339 174.900 0.085 0.000 1.360 751 G CA -0.255 44.879 45.100 0.058 0.000 0.783 751 G HN -0.123 nan 8.290 nan 0.000 0.484 752 P HA 0.131 nan 4.420 nan 0.000 0.240 752 P C 0.284 177.611 177.300 0.044 0.000 1.190 752 P CA 0.436 63.575 63.100 0.065 0.000 0.781 752 P CB 0.104 31.814 31.700 0.015 0.000 0.931 753 H N -1.162 117.952 119.070 0.075 0.000 2.505 753 H HA 0.063 4.658 4.556 0.066 0.000 0.351 753 H C -0.209 175.228 175.328 0.180 0.000 1.151 753 H CA -0.696 55.427 56.048 0.125 0.000 1.339 753 H CB 0.975 30.790 29.762 0.089 0.000 1.483 753 H HN 0.168 nan 8.280 nan 0.000 0.558 754 W N 5.153 126.556 121.300 0.170 0.000 2.529 754 W HA 0.076 4.776 4.660 0.066 0.000 0.319 754 W C -2.218 174.384 176.519 0.138 0.000 1.362 754 W CA -1.947 55.495 57.345 0.161 0.000 1.348 754 W CB 0.477 30.051 29.460 0.189 0.000 1.403 754 W HN 0.549 nan 8.180 nan 0.000 0.519 755 P HA -0.239 nan 4.420 nan 0.000 0.216 755 P C 0.150 177.132 177.300 -0.530 0.000 1.150 755 P CA 1.814 64.651 63.100 -0.438 0.000 0.843 755 P CB 0.041 31.484 31.700 -0.428 0.000 0.787 756 D N -2.201 117.543 120.400 -1.094 0.000 2.735 756 D HA -0.172 4.508 4.640 0.066 0.000 0.235 756 D C -0.540 175.642 176.300 -0.196 0.000 1.175 756 D CA 0.149 53.842 54.000 -0.513 0.000 0.683 756 D CB -1.230 39.549 40.800 -0.035 0.000 1.008 756 D HN 0.007 nan 8.370 nan 0.000 0.416 757 L N 1.084 122.159 121.223 -0.247 0.000 2.410 757 L HA 0.255 4.635 4.340 0.066 0.000 0.273 757 L C 0.342 177.347 176.870 0.225 0.000 1.152 757 L CA 0.426 55.228 54.840 -0.062 0.000 0.855 757 L CB 0.827 42.766 42.059 -0.200 0.000 1.129 757 L HN 0.084 nan 8.230 nan 0.000 0.463 758 Q N 3.647 123.609 119.800 0.271 0.000 2.180 758 Q HA 0.722 5.101 4.340 0.066 0.000 0.241 758 Q C -0.796 175.377 176.000 0.287 0.000 0.970 758 Q CA -0.522 55.483 55.803 0.336 0.000 0.919 758 Q CB 1.663 30.508 28.738 0.178 0.000 1.222 758 Q HN 0.822 nan 8.270 nan 0.000 0.482 759 A N 1.934 124.767 122.820 0.021 0.000 2.342 759 A HA 0.687 5.047 4.320 0.066 0.000 0.323 759 A C -2.357 175.097 177.584 -0.218 0.000 1.125 759 A CA -1.567 50.287 52.037 -0.305 0.000 0.785 759 A CB 0.833 19.367 19.000 -0.777 0.000 1.221 759 A HN 0.394 nan 8.150 nan 0.000 0.463 760 P HA 0.301 nan 4.420 nan 0.000 0.275 760 P C -0.260 176.990 177.300 -0.084 0.000 1.228 760 P CA -0.048 62.905 63.100 -0.245 0.000 0.786 760 P CB 1.224 32.806 31.700 -0.197 0.000 0.927 761 A N 2.294 125.106 122.820 -0.015 0.000 3.078 761 A HA 0.353 4.713 4.320 0.066 0.000 0.279 761 A C 0.923 178.504 177.584 -0.004 0.000 1.594 761 A CA -0.286 51.797 52.037 0.076 0.000 1.301 761 A CB -1.350 17.775 19.000 0.209 0.000 1.162 761 A HN 0.592 nan 8.150 nan 0.000 0.585 762 T N -0.686 113.851 114.554 -0.028 0.000 2.860 762 T HA 0.311 4.700 4.350 0.066 0.000 0.299 762 T C -1.174 173.506 174.700 -0.033 0.000 1.045 762 T CA -1.226 60.846 62.100 -0.046 0.000 1.071 762 T CB 0.795 69.632 68.868 -0.052 0.000 0.985 762 T HN 0.276 nan 8.240 nan 0.000 0.537 763 P HA -0.207 nan 4.420 nan 0.000 0.217 763 P C 1.253 178.538 177.300 -0.026 0.000 1.148 763 P CA 1.396 64.475 63.100 -0.034 0.000 0.834 763 P CB 0.165 31.843 31.700 -0.036 0.000 0.783 764 E N 0.120 120.306 120.200 -0.023 0.000 2.051 764 E HA -0.148 4.242 4.350 0.066 0.000 0.192 764 E C 2.107 178.700 176.600 -0.011 0.000 0.991 764 E CA 1.196 57.586 56.400 -0.016 0.000 0.799 764 E CB -0.489 29.204 29.700 -0.011 0.000 0.748 764 E HN 0.111 nan 8.360 nan 0.000 0.449 765 A N 0.370 123.187 122.820 -0.006 0.000 2.015 765 A HA -0.096 4.264 4.320 0.066 0.000 0.219 765 A C 2.292 179.873 177.584 -0.006 0.000 1.163 765 A CA 1.156 53.197 52.037 0.007 0.000 0.646 765 A CB -0.329 18.687 19.000 0.026 0.000 0.806 765 A HN 0.224 nan 8.150 nan 0.000 0.448 766 V N -0.497 119.406 119.914 -0.019 0.000 2.323 766 V HA -0.192 3.968 4.120 0.066 0.000 0.244 766 V C 2.433 178.500 176.094 -0.044 0.000 1.041 766 V CA 1.761 64.037 62.300 -0.039 0.000 1.025 766 V CB -0.776 31.023 31.823 -0.041 0.000 0.656 766 V HN 0.587 nan 8.190 nan 0.000 0.451 767 L N 0.924 122.127 121.223 -0.034 0.000 2.042 767 L HA -0.134 4.246 4.340 0.066 0.000 0.210 767 L C 2.480 179.330 176.870 -0.033 0.000 1.076 767 L CA 2.306 57.126 54.840 -0.033 0.000 0.749 767 L CB -0.814 41.230 42.059 -0.025 0.000 0.893 767 L HN 0.235 nan 8.230 nan 0.000 0.432 768 A N -0.372 122.433 122.820 -0.026 0.000 1.892 768 A HA -0.228 4.132 4.320 0.066 0.000 0.218 768 A C 2.447 180.007 177.584 -0.039 0.000 1.188 768 A CA 2.231 54.254 52.037 -0.023 0.000 0.631 768 A CB -1.292 17.703 19.000 -0.008 0.000 0.822 768 A HN 0.598 nan 8.150 nan 0.000 0.447 769 A N -0.869 121.918 122.820 -0.055 0.000 1.968 769 A HA 0.104 4.464 4.320 0.066 0.000 0.217 769 A C 2.216 179.739 177.584 -0.102 0.000 1.169 769 A CA 1.567 53.547 52.037 -0.094 0.000 0.638 769 A CB -0.794 18.134 19.000 -0.120 0.000 0.812 769 A HN 0.386 nan 8.150 nan 0.000 0.446 770 V N 0.414 120.279 119.914 -0.081 0.000 2.261 770 V HA -0.267 3.893 4.120 0.066 0.000 0.246 770 V C 2.662 178.719 176.094 -0.062 0.000 1.047 770 V CA 2.042 64.298 62.300 -0.073 0.000 1.015 770 V CB -0.841 30.948 31.823 -0.057 0.000 0.642 770 V HN 0.482 nan 8.190 nan 0.000 0.446 771 R N 0.187 120.655 120.500 -0.054 0.000 2.119 771 R HA -0.196 4.184 4.340 0.066 0.000 0.246 771 R C 2.429 178.691 176.300 -0.063 0.000 1.146 771 R CA 1.793 57.862 56.100 -0.052 0.000 0.962 771 R CB -0.604 29.672 30.300 -0.041 0.000 0.863 771 R HN 0.554 nan 8.270 nan 0.000 0.442 772 R N -0.001 120.465 120.500 -0.057 0.000 2.066 772 R HA -0.027 4.352 4.340 0.066 0.000 0.232 772 R C 2.371 178.651 176.300 -0.034 0.000 1.131 772 R CA 1.292 57.364 56.100 -0.047 0.000 0.955 772 R CB -0.427 29.855 30.300 -0.030 0.000 0.851 772 R HN 0.200 nan 8.270 nan 0.000 0.432 773 A N 1.574 124.379 122.820 -0.024 0.000 1.933 773 A HA -0.184 4.175 4.320 0.066 0.000 0.218 773 A C 1.764 179.359 177.584 0.017 0.000 1.175 773 A CA 1.363 53.419 52.037 0.031 0.000 0.628 773 A CB -0.304 18.680 19.000 -0.027 0.000 0.814 773 A HN 0.328 nan 8.150 nan 0.000 0.444 774 E N -0.996 119.178 120.200 -0.044 0.000 2.478 774 E HA 0.215 4.604 4.350 0.066 0.000 0.198 774 E C 0.781 177.300 176.600 -0.134 0.000 1.046 774 E CA 0.148 56.513 56.400 -0.059 0.000 0.870 774 E CB -0.282 29.386 29.700 -0.053 0.000 0.818 774 E HN 0.723 nan 8.360 nan 0.000 0.527 775 G N 2.181 110.830 108.800 -0.253 0.000 2.415 775 G HA2 -0.304 3.696 3.960 0.066 0.000 0.283 775 G HA3 -0.304 3.696 3.960 0.066 0.000 0.283 775 G C -0.473 174.320 174.900 -0.178 0.000 1.014 775 G CA 0.280 45.157 45.100 -0.372 0.000 1.323 775 G HN 0.116 nan 8.290 nan 0.000 0.502 776 R N 0.273 120.700 120.500 -0.120 0.000 2.740 776 R HA 0.805 5.185 4.340 0.066 0.000 0.273 776 R C 0.571 176.842 176.300 -0.050 0.000 0.998 776 R CA -0.254 55.803 56.100 -0.072 0.000 0.900 776 R CB 1.814 32.080 30.300 -0.057 0.000 1.223 776 R HN 2.111 nan 8.270 nan 0.000 0.466 777 A N 0.000 122.800 122.820 -0.034 0.000 2.254 777 A HA 0.000 4.360 4.320 0.066 0.000 0.244 777 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 777 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486