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 1jrp_1_H 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 ESQGNHLAIA 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 0.000 174.480 174.600 -0.200 0.000 1.055 2 S CA 0.000 58.103 58.200 -0.162 0.000 1.107 2 S CB 0.000 63.116 63.200 -0.140 0.000 0.593 3 V N 2.479 122.201 119.914 -0.320 0.000 2.694 3 V HA 0.400 4.519 4.120 -0.001 0.000 0.306 3 V C 1.664 177.602 176.094 -0.259 0.000 1.054 3 V CA 2.098 64.174 62.300 -0.375 0.000 1.161 3 V CB 0.576 31.938 31.823 -0.767 0.000 0.916 3 V HN 0.899 nan 8.190 nan 0.000 0.490 4 G N 4.123 112.819 108.800 -0.175 0.000 2.232 4 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.226 4 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.226 4 G C 0.226 175.075 174.900 -0.085 0.000 0.996 4 G CA -0.048 44.982 45.100 -0.117 0.000 0.626 4 G HN 0.582 nan 8.290 nan 0.000 0.509 5 K N 1.402 121.749 120.400 -0.088 0.000 2.118 5 K HA 0.454 4.774 4.320 -0.001 0.000 0.267 5 K C -2.410 174.159 176.600 -0.051 0.000 0.991 5 K CA -1.586 54.662 56.287 -0.064 0.000 0.916 5 K CB 1.972 34.433 32.500 -0.065 0.000 1.041 5 K HN 0.000 nan 8.250 nan 0.000 0.455 6 P HA 0.116 nan 4.420 nan 0.000 0.218 6 P C -0.524 176.764 177.300 -0.020 0.000 1.793 6 P CA 0.011 63.096 63.100 -0.025 0.000 0.941 6 P CB -0.156 31.533 31.700 -0.019 0.000 1.919 7 L N 2.113 123.319 121.223 -0.028 0.000 2.436 7 L HA 0.361 4.701 4.340 -0.001 0.000 0.265 7 L C -1.471 175.396 176.870 -0.005 0.000 1.168 7 L CA -2.256 52.571 54.840 -0.022 0.000 0.815 7 L CB -0.150 41.888 42.059 -0.036 0.000 1.109 7 L HN 0.021 nan 8.230 nan 0.000 0.462 8 P HA -0.037 nan 4.420 nan 0.000 0.272 8 P C -0.577 176.758 177.300 0.057 0.000 1.240 8 P CA -0.260 62.864 63.100 0.040 0.000 0.791 8 P CB 0.393 32.111 31.700 0.031 0.000 0.978 9 H N 2.060 121.123 119.070 -0.011 0.000 2.972 9 H HA -0.083 4.473 4.556 -0.001 0.000 0.343 9 H C 1.381 176.680 175.328 -0.050 0.000 1.054 9 H CA 0.899 56.940 56.048 -0.012 0.000 1.412 9 H CB 0.540 30.310 29.762 0.013 0.000 1.385 9 H HN 0.563 nan 8.280 nan 0.000 0.600 10 D N 2.152 122.376 120.400 -0.293 0.000 2.228 10 D HA -0.147 4.493 4.640 -0.001 0.000 0.203 10 D C 0.188 176.491 176.300 0.005 0.000 0.988 10 D CA 1.162 55.097 54.000 -0.108 0.000 0.864 10 D CB 0.153 40.880 40.800 -0.122 0.000 0.928 10 D HN 0.289 nan 8.370 nan 0.000 0.469 11 S N -0.350 115.456 115.700 0.177 0.000 2.651 11 S HA 0.501 4.971 4.470 -0.001 0.000 0.246 11 S C 1.391 175.660 174.600 -0.552 0.000 1.039 11 S CA -0.053 58.033 58.200 -0.191 0.000 1.013 11 S CB 1.057 64.132 63.200 -0.208 0.000 0.861 11 S HN 0.473 nan 8.310 nan 0.000 0.485 12 A N 2.904 125.576 122.820 -0.246 0.000 1.859 12 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 12 A C 2.057 179.589 177.584 -0.087 0.000 1.209 12 A CA 2.004 53.939 52.037 -0.170 0.000 0.639 12 A CB -0.657 18.336 19.000 -0.013 0.000 0.835 12 A HN 0.486 nan 8.150 nan 0.000 0.450 13 R N -0.572 119.898 120.500 -0.050 0.000 2.112 13 R HA -0.217 4.123 4.340 -0.001 0.000 0.242 13 R C 2.287 178.587 176.300 0.000 0.000 1.137 13 R CA 2.078 58.170 56.100 -0.013 0.000 0.944 13 R CB -0.536 29.756 30.300 -0.013 0.000 0.857 13 R HN 0.487 nan 8.270 nan 0.000 0.435 14 A N -0.340 122.460 122.820 -0.033 0.000 1.972 14 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 14 A C 1.798 179.460 177.584 0.131 0.000 1.169 14 A CA 1.589 53.637 52.037 0.019 0.000 0.635 14 A CB -0.742 18.253 19.000 -0.007 0.000 0.810 14 A HN 0.605 nan 8.150 nan 0.000 0.446 15 H N -1.740 117.353 119.070 0.038 0.000 2.270 15 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 15 H C 2.035 177.397 175.328 0.055 0.000 1.077 15 H CA 1.144 57.227 56.048 0.059 0.000 1.294 15 H CB -0.064 29.714 29.762 0.027 0.000 1.371 15 H HN 0.261 nan 8.280 nan 0.000 0.491 16 V N 1.198 121.228 119.914 0.193 0.000 3.026 16 V HA -0.163 3.957 4.120 -0.001 0.000 0.265 16 V C 1.913 178.059 176.094 0.087 0.000 1.121 16 V CA 2.131 64.502 62.300 0.120 0.000 1.142 16 V CB -0.388 31.488 31.823 0.089 0.000 0.730 16 V HN 0.662 nan 8.190 nan 0.000 0.503 17 T N -4.161 110.443 114.554 0.082 0.000 3.085 17 T HA 0.372 4.722 4.350 -0.001 0.000 0.264 17 T C 1.356 176.097 174.700 0.067 0.000 1.019 17 T CA 0.588 62.724 62.100 0.061 0.000 0.910 17 T CB 0.705 69.598 68.868 0.043 0.000 1.059 17 T HN 0.821 nan 8.240 nan 0.000 0.542 18 G N 1.958 110.815 108.800 0.095 0.000 2.155 18 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.257 18 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.257 18 G C 0.632 175.583 174.900 0.085 0.000 0.983 18 G CA 0.626 45.784 45.100 0.096 0.000 0.676 18 G HN 0.620 nan 8.290 nan 0.000 0.528 19 Q N -0.228 119.616 119.800 0.072 0.000 2.402 19 Q HA 0.545 4.884 4.340 -0.001 0.000 0.206 19 Q C 1.658 177.682 176.000 0.041 0.000 0.919 19 Q CA 0.492 56.323 55.803 0.047 0.000 0.923 19 Q CB 0.359 29.112 28.738 0.025 0.000 1.048 19 Q HN 0.905 nan 8.270 nan 0.000 0.515 20 A N 1.868 124.730 122.820 0.070 0.000 2.511 20 A HA 0.199 4.518 4.320 -0.001 0.000 0.242 20 A C -0.317 177.230 177.584 -0.062 0.000 1.069 20 A CA 0.061 52.091 52.037 -0.011 0.000 0.763 20 A CB 0.182 19.210 19.000 0.046 0.000 1.001 20 A HN 0.202 nan 8.150 nan 0.000 0.498 21 R N 1.297 121.701 120.500 -0.160 0.000 2.445 21 R HA 0.534 4.874 4.340 -0.001 0.000 0.308 21 R C -1.395 174.788 176.300 -0.193 0.000 0.961 21 R CA -0.285 55.774 56.100 -0.068 0.000 0.862 21 R CB 1.284 31.552 30.300 -0.053 0.000 1.144 21 R HN 0.758 nan 8.270 nan 0.000 0.447 22 Y N 0.762 121.053 120.300 -0.015 0.000 2.618 22 Y HA 0.192 4.742 4.550 -0.001 0.000 0.326 22 Y C 1.464 177.337 175.900 -0.045 0.000 1.168 22 Y CA -0.864 57.221 58.100 -0.026 0.000 1.269 22 Y CB 0.603 39.043 38.460 -0.034 0.000 1.388 22 Y HN 0.425 nan 8.280 nan 0.000 0.528 23 L N 0.695 121.993 121.223 0.126 0.000 2.021 23 L HA -0.258 4.082 4.340 -0.001 0.000 0.215 23 L C 1.644 178.511 176.870 -0.005 0.000 1.074 23 L CA 2.313 57.167 54.840 0.023 0.000 0.760 23 L CB -0.308 41.752 42.059 0.000 0.000 0.889 23 L HN 0.812 nan 8.230 nan 0.000 0.433 24 D N -1.090 119.313 120.400 0.005 0.000 2.348 24 D HA -0.152 4.488 4.640 -0.001 0.000 0.216 24 D C 1.442 177.740 176.300 -0.003 0.000 0.970 24 D CA 0.732 54.720 54.000 -0.021 0.000 0.889 24 D CB -0.022 40.752 40.800 -0.044 0.000 0.912 24 D HN 0.457 nan 8.370 nan 0.000 0.524 25 D N -0.317 120.099 120.400 0.026 0.000 2.277 25 D HA -0.015 4.625 4.640 -0.001 0.000 0.208 25 D C 0.689 176.981 176.300 -0.012 0.000 0.962 25 D CA 0.147 54.161 54.000 0.024 0.000 0.865 25 D CB 0.021 40.861 40.800 0.066 0.000 0.939 25 D HN 0.319 nan 8.370 nan 0.000 0.510 26 L N 2.399 123.595 121.223 -0.046 0.000 2.485 26 L HA 0.130 4.470 4.340 -0.001 0.000 0.275 26 L C -1.875 174.952 176.870 -0.073 0.000 1.207 26 L CA -1.437 53.349 54.840 -0.089 0.000 0.855 26 L CB -0.373 41.579 42.059 -0.178 0.000 1.114 26 L HN -0.177 nan 8.230 nan 0.000 0.485 27 P HA 0.213 nan 4.420 nan 0.000 0.272 27 P C -1.064 176.203 177.300 -0.056 0.000 1.223 27 P CA -0.506 62.566 63.100 -0.045 0.000 0.784 27 P CB 0.757 32.433 31.700 -0.040 0.000 0.923 28 C N -0.068 119.213 119.300 -0.033 0.000 3.284 28 C HA 0.566 5.025 4.460 -0.001 0.000 0.338 28 C C -2.819 172.166 174.990 -0.009 0.000 1.237 28 C CA -2.060 56.939 59.018 -0.032 0.000 1.276 28 C CB 0.020 27.730 27.740 -0.050 0.000 1.601 28 C HN 0.379 nan 8.230 nan 0.000 0.494 29 P HA 0.251 nan 4.420 nan 0.000 0.269 29 P C 0.886 178.197 177.300 0.019 0.000 1.205 29 P CA 0.617 63.720 63.100 0.005 0.000 0.780 29 P CB 0.409 32.112 31.700 0.005 0.000 0.858 30 A N 2.356 125.190 122.820 0.023 0.000 2.019 30 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 30 A C 1.517 179.128 177.584 0.045 0.000 1.164 30 A CA 1.632 53.690 52.037 0.035 0.000 0.644 30 A CB -1.013 18.004 19.000 0.027 0.000 0.805 30 A HN 0.735 nan 8.150 nan 0.000 0.449 31 N N -0.372 118.350 118.700 0.036 0.000 2.383 31 N HA 0.002 4.741 4.740 -0.001 0.000 0.192 31 N C -0.088 175.451 175.510 0.048 0.000 1.141 31 N CA 0.563 53.638 53.050 0.043 0.000 0.851 31 N CB -1.118 37.390 38.487 0.034 0.000 0.976 31 N HN 0.121 nan 8.380 nan 0.000 0.465 32 T N 1.676 116.254 114.554 0.040 0.000 2.946 32 T HA 0.083 4.432 4.350 -0.001 0.000 0.312 32 T C 0.395 175.119 174.700 0.040 0.000 1.066 32 T CA 0.235 62.336 62.100 0.001 0.000 1.138 32 T CB 0.523 69.368 68.868 -0.037 0.000 1.014 32 T HN 0.137 nan 8.240 nan 0.000 0.544 33 L N 2.530 123.747 121.223 -0.011 0.000 2.313 33 L HA 0.576 4.916 4.340 -0.001 0.000 0.268 33 L C 0.364 177.200 176.870 -0.056 0.000 1.010 33 L CA -1.102 53.796 54.840 0.096 0.000 0.814 33 L CB 1.420 43.531 42.059 0.086 0.000 1.304 33 L HN 0.659 nan 8.230 nan 0.000 0.441 34 H N 1.237 120.342 119.070 0.059 0.000 2.797 34 H HA 0.659 5.214 4.556 -0.001 0.000 0.372 34 H C -1.072 174.298 175.328 0.071 0.000 1.168 34 H CA -0.759 55.330 56.048 0.068 0.000 1.163 34 H CB 2.865 32.693 29.762 0.109 0.000 1.778 34 H HN 0.273 nan 8.280 nan 0.000 0.551 35 L N 0.621 121.937 121.223 0.154 0.000 2.350 35 L HA 0.817 5.157 4.340 -0.001 0.000 0.260 35 L C -0.569 176.302 176.870 0.002 0.000 1.015 35 L CA -1.052 53.820 54.840 0.054 0.000 0.821 35 L CB 2.252 44.277 42.059 -0.057 0.000 1.370 35 L HN 0.708 nan 8.230 nan 0.000 0.416 36 A N 0.807 123.592 122.820 -0.058 0.000 2.594 36 A HA 0.684 5.004 4.320 -0.001 0.000 0.296 36 A C -1.544 175.969 177.584 -0.118 0.000 1.061 36 A CA -0.470 51.505 52.037 -0.103 0.000 0.689 36 A CB 1.061 20.041 19.000 -0.033 0.000 1.280 36 A HN 0.505 nan 8.150 nan 0.000 0.406 37 F N 0.919 120.879 119.950 0.017 0.000 2.382 37 F HA 0.517 5.044 4.527 -0.001 0.000 0.331 37 F C 1.383 176.981 175.800 -0.337 0.000 1.121 37 F CA 0.048 57.965 58.000 -0.137 0.000 1.183 37 F CB 1.645 40.623 39.000 -0.038 0.000 1.207 37 F HN 0.702 nan 8.300 nan 0.000 0.555 38 G N 3.378 111.831 108.800 -0.579 0.000 2.335 38 G HA2 0.612 4.572 3.960 -0.001 0.000 0.316 38 G HA3 0.612 4.572 3.960 -0.001 0.000 0.316 38 G C -1.138 173.554 174.900 -0.346 0.000 1.129 38 G CA -0.638 43.991 45.100 -0.786 0.000 0.899 38 G HN 0.516 nan 8.290 nan 0.000 0.448 39 L N 1.512 122.675 121.223 -0.101 0.000 2.330 39 L HA 0.580 4.920 4.340 -0.001 0.000 0.271 39 L C 0.943 177.802 176.870 -0.019 0.000 1.013 39 L CA -1.124 53.668 54.840 -0.079 0.000 0.816 39 L CB 1.777 43.794 42.059 -0.070 0.000 1.287 39 L HN 0.565 nan 8.230 nan 0.000 0.435 40 S N -0.050 115.595 115.700 -0.091 0.000 2.563 40 S HA 0.046 4.515 4.470 -0.001 0.000 0.284 40 S C 0.859 175.416 174.600 -0.072 0.000 1.331 40 S CA 0.131 58.319 58.200 -0.019 0.000 1.047 40 S CB 0.537 63.619 63.200 -0.197 0.000 0.859 40 S HN 0.788 nan 8.310 nan 0.000 0.514 41 T N 1.034 115.535 114.554 -0.089 0.000 3.134 41 T HA 0.366 4.716 4.350 -0.001 0.000 0.260 41 T C -0.091 174.386 174.700 -0.372 0.000 1.027 41 T CA -0.444 61.536 62.100 -0.200 0.000 0.913 41 T CB -0.128 68.660 68.868 -0.133 0.000 1.046 41 T HN 0.605 nan 8.240 nan 0.000 0.553 42 E N 0.417 120.323 120.200 -0.489 0.000 2.256 42 E HA 0.632 4.982 4.350 -0.001 0.000 0.267 42 E C 0.522 176.954 176.600 -0.279 0.000 0.892 42 E CA -0.651 55.486 56.400 -0.439 0.000 0.775 42 E CB 2.089 31.402 29.700 -0.644 0.000 1.207 42 E HN 0.136 nan 8.360 nan 0.000 0.420 43 A N 1.558 124.259 122.820 -0.198 0.000 2.066 43 A HA -0.016 4.304 4.320 -0.001 0.000 0.218 43 A C 0.945 178.451 177.584 -0.130 0.000 1.157 43 A CA 1.019 52.980 52.037 -0.125 0.000 0.670 43 A CB 0.269 19.215 19.000 -0.089 0.000 0.804 43 A HN 0.304 nan 8.150 nan 0.000 0.453 44 S N -1.814 113.789 115.700 -0.162 0.000 2.428 44 S HA 0.555 5.025 4.470 -0.001 0.000 0.269 44 S C -0.913 173.599 174.600 -0.147 0.000 1.026 44 S CA 0.260 58.362 58.200 -0.164 0.000 1.019 44 S CB 0.104 63.239 63.200 -0.108 0.000 1.191 44 S HN 1.666 nan 8.310 nan 0.000 0.429 45 A N 2.834 125.562 122.820 -0.154 0.000 2.597 45 A HA 0.910 5.230 4.320 -0.001 0.000 0.292 45 A C -0.513 177.046 177.584 -0.041 0.000 1.057 45 A CA -0.200 51.803 52.037 -0.057 0.000 0.674 45 A CB 0.653 19.666 19.000 0.021 0.000 1.278 45 A HN 1.721 nan 8.150 nan 0.000 0.416 46 A N 0.609 123.424 122.820 -0.008 0.000 2.304 46 A HA 0.740 5.059 4.320 -0.001 0.000 0.301 46 A C -0.224 177.364 177.584 0.006 0.000 1.132 46 A CA -0.345 51.683 52.037 -0.016 0.000 0.819 46 A CB 0.097 19.088 19.000 -0.015 0.000 1.094 46 A HN 0.769 nan 8.150 nan 0.000 0.492 47 I N 1.183 121.731 120.570 -0.037 0.000 2.385 47 I HA 0.271 4.441 4.170 -0.001 0.000 0.294 47 I C 0.873 176.928 176.117 -0.104 0.000 0.988 47 I CA -0.129 61.096 61.300 -0.125 0.000 1.265 47 I CB 1.861 39.771 38.000 -0.150 0.000 1.388 47 I HN 0.751 nan 8.210 nan 0.000 0.480 48 T N 3.185 117.659 114.554 -0.134 0.000 2.964 48 T HA 0.262 4.612 4.350 -0.001 0.000 0.249 48 T C 0.311 174.956 174.700 -0.092 0.000 1.000 48 T CA -0.023 62.026 62.100 -0.084 0.000 0.992 48 T CB 0.669 69.503 68.868 -0.057 0.000 1.087 48 T HN 0.809 nan 8.240 nan 0.000 0.489 49 G N 0.753 109.472 108.800 -0.134 0.000 2.733 49 G HA2 0.582 4.542 3.960 -0.001 0.000 0.297 49 G HA3 0.582 4.542 3.960 -0.001 0.000 0.297 49 G C -2.195 172.611 174.900 -0.157 0.000 1.422 49 G CA -0.365 44.665 45.100 -0.117 0.000 0.942 49 G HN 0.098 nan 8.290 nan 0.000 0.510 50 L N 1.854 122.996 121.223 -0.134 0.000 2.448 50 L HA 0.412 4.751 4.340 -0.001 0.000 0.257 50 L C -0.871 175.908 176.870 -0.153 0.000 1.504 50 L CA -0.877 53.870 54.840 -0.156 0.000 0.852 50 L CB 1.091 43.069 42.059 -0.136 0.000 1.051 50 L HN 0.579 nan 8.230 nan 0.000 0.518 51 D N 1.884 122.200 120.400 -0.141 0.000 2.343 51 D HA 0.249 4.888 4.640 -0.001 0.000 0.255 51 D C 0.650 176.847 176.300 -0.171 0.000 1.187 51 D CA 0.188 54.112 54.000 -0.128 0.000 0.875 51 D CB 0.922 41.665 40.800 -0.095 0.000 1.136 51 D HN 0.510 nan 8.370 nan 0.000 0.469 52 L N 3.126 124.237 121.223 -0.186 0.000 2.769 52 L HA 0.225 4.565 4.340 -0.001 0.000 0.240 52 L C 1.703 178.484 176.870 -0.149 0.000 1.163 52 L CA -0.227 54.469 54.840 -0.238 0.000 0.962 52 L CB 0.137 42.012 42.059 -0.307 0.000 1.258 52 L HN 0.344 nan 8.230 nan 0.000 0.513 53 E N 1.637 121.773 120.200 -0.107 0.000 2.085 53 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 53 E C -0.715 175.850 176.600 -0.058 0.000 0.994 53 E CA 1.703 58.058 56.400 -0.074 0.000 0.801 53 E CB -0.707 28.959 29.700 -0.058 0.000 0.743 53 E HN 0.274 nan 8.360 nan 0.000 0.453 54 P HA -0.117 nan 4.420 nan 0.000 0.220 54 P C 1.073 178.358 177.300 -0.024 0.000 1.148 54 P CA 0.888 63.969 63.100 -0.031 0.000 0.803 54 P CB 0.135 31.819 31.700 -0.026 0.000 0.782 55 V N 0.055 119.942 119.914 -0.045 0.000 2.302 55 V HA -0.143 3.977 4.120 -0.001 0.000 0.243 55 V C 2.470 178.558 176.094 -0.010 0.000 1.036 55 V CA 1.458 63.749 62.300 -0.014 0.000 1.020 55 V CB -0.987 30.807 31.823 -0.049 0.000 0.657 55 V HN 0.030 nan 8.190 nan 0.000 0.453 56 R N 0.450 120.926 120.500 -0.040 0.000 2.103 56 R HA -0.225 4.114 4.340 -0.001 0.000 0.242 56 R C 2.094 178.386 176.300 -0.014 0.000 1.142 56 R CA 1.803 57.884 56.100 -0.031 0.000 0.960 56 R CB -0.406 29.864 30.300 -0.049 0.000 0.858 56 R HN 0.577 nan 8.270 nan 0.000 0.439 57 E N 0.792 120.983 120.200 -0.016 0.000 2.478 57 E HA -0.026 4.324 4.350 -0.001 0.000 0.198 57 E C 0.322 176.924 176.600 0.003 0.000 1.046 57 E CA 0.009 56.404 56.400 -0.008 0.000 0.870 57 E CB 0.212 29.905 29.700 -0.012 0.000 0.818 57 E HN 0.062 nan 8.360 nan 0.000 0.527 58 S N 1.276 116.982 115.700 0.011 0.000 2.580 58 S HA 0.165 4.635 4.470 -0.001 0.000 0.274 58 S C -2.411 172.202 174.600 0.022 0.000 1.329 58 S CA -1.871 56.341 58.200 0.019 0.000 1.036 58 S CB 0.577 63.796 63.200 0.031 0.000 0.919 58 S HN -0.169 nan 8.310 nan 0.000 0.515 59 P HA 0.157 nan 4.420 nan 0.000 0.265 59 P C 0.821 178.136 177.300 0.026 0.000 1.187 59 P CA 0.999 64.111 63.100 0.019 0.000 0.766 59 P CB -0.046 31.664 31.700 0.017 0.000 0.820 60 G N 0.949 109.764 108.800 0.026 0.000 2.212 60 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.267 60 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.267 60 G C 0.150 175.078 174.900 0.046 0.000 1.002 60 G CA 0.064 45.184 45.100 0.034 0.000 0.729 60 G HN 0.531 nan 8.290 nan 0.000 0.517 61 V N 0.930 120.870 119.914 0.043 0.000 2.607 61 V HA 0.403 4.522 4.120 -0.001 0.000 0.289 61 V C 1.487 177.610 176.094 0.047 0.000 1.053 61 V CA -0.387 61.944 62.300 0.053 0.000 0.996 61 V CB 1.555 33.406 31.823 0.047 0.000 0.995 61 V HN 0.168 nan 8.190 nan 0.000 0.476 62 I N 2.316 122.923 120.570 0.063 0.000 3.718 62 I HA 0.387 4.557 4.170 -0.001 0.000 0.297 62 I C 0.791 176.926 176.117 0.030 0.000 1.220 62 I CA 0.787 62.119 61.300 0.054 0.000 1.381 62 I CB 0.519 38.565 38.000 0.077 0.000 1.238 62 I HN 0.685 nan 8.210 nan 0.000 0.448 63 A N 0.477 123.317 122.820 0.032 0.000 2.594 63 A HA 0.740 5.060 4.320 -0.001 0.000 0.291 63 A C -1.312 176.166 177.584 -0.177 0.000 1.105 63 A CA -0.353 51.617 52.037 -0.112 0.000 0.694 63 A CB 2.127 21.074 19.000 -0.088 0.000 1.291 63 A HN -0.164 nan 8.150 nan 0.000 0.410 64 V N 0.382 120.029 119.914 -0.445 0.000 2.876 64 V HA 0.720 4.839 4.120 -0.001 0.000 0.312 64 V C -1.299 174.462 176.094 -0.555 0.000 1.085 64 V CA -0.346 61.793 62.300 -0.269 0.000 0.945 64 V CB 1.732 33.481 31.823 -0.123 0.000 1.017 64 V HN 0.770 nan 8.190 nan 0.000 0.428 65 F N 0.808 120.882 119.950 0.206 0.000 2.593 65 F HA 0.837 5.364 4.527 -0.001 0.000 0.320 65 F C 0.398 176.322 175.800 0.207 0.000 1.060 65 F CA -0.469 57.638 58.000 0.179 0.000 0.940 65 F CB 2.667 41.772 39.000 0.175 0.000 1.268 65 F HN 0.377 nan 8.300 nan 0.000 0.475 66 T N -0.204 114.550 114.554 0.334 0.000 2.853 66 T HA 0.473 4.822 4.350 -0.001 0.000 0.311 66 T C 0.522 175.338 174.700 0.193 0.000 1.307 66 T CA -0.092 62.145 62.100 0.229 0.000 1.019 66 T CB 1.770 70.715 68.868 0.128 0.000 1.264 66 T HN 0.679 nan 8.240 nan 0.000 0.497 67 A N 0.992 123.900 122.820 0.145 0.000 1.986 67 A HA 0.029 4.348 4.320 -0.001 0.000 0.220 67 A C 2.331 179.974 177.584 0.100 0.000 1.171 67 A CA 2.392 54.498 52.037 0.116 0.000 0.640 67 A CB -0.953 18.102 19.000 0.091 0.000 0.811 67 A HN 0.963 nan 8.150 nan 0.000 0.451 68 A N -0.298 122.574 122.820 0.087 0.000 2.015 68 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 68 A C 1.557 179.190 177.584 0.081 0.000 1.163 68 A CA 1.451 53.526 52.037 0.064 0.000 0.646 68 A CB -0.347 18.679 19.000 0.043 0.000 0.806 68 A HN 0.545 nan 8.150 nan 0.000 0.448 69 D N -0.182 120.296 120.400 0.131 0.000 2.355 69 D HA 0.068 4.708 4.640 -0.001 0.000 0.218 69 D C 0.223 176.631 176.300 0.180 0.000 1.004 69 D CA 0.158 54.262 54.000 0.173 0.000 0.880 69 D CB -0.027 40.929 40.800 0.261 0.000 0.911 69 D HN 0.371 nan 8.370 nan 0.000 0.528 70 L N 2.857 124.165 121.223 0.141 0.000 2.477 70 L HA 0.045 4.385 4.340 -0.001 0.000 0.272 70 L C -0.933 175.968 176.870 0.050 0.000 1.157 70 L CA -1.104 53.798 54.840 0.104 0.000 0.889 70 L CB 0.621 42.737 42.059 0.094 0.000 1.158 70 L HN -0.193 nan 8.230 nan 0.000 0.473 71 P HA -0.060 nan 4.420 nan 0.000 0.226 71 P C 0.042 177.148 177.300 -0.323 0.000 1.153 71 P CA 1.410 64.455 63.100 -0.092 0.000 0.777 71 P CB 0.388 32.111 31.700 0.038 0.000 0.794 72 H N -2.599 116.506 119.070 0.058 0.000 4.405 72 H HA 0.244 4.799 4.556 -0.001 0.000 0.433 72 H C -0.220 175.140 175.328 0.053 0.000 1.169 72 H CA -0.683 55.398 56.048 0.056 0.000 0.658 72 H CB -0.564 29.237 29.762 0.065 0.000 1.027 72 H HN -0.284 nan 8.280 nan 0.000 0.772 73 D N 0.818 121.349 120.400 0.218 0.000 2.406 73 D HA 0.073 4.712 4.640 -0.001 0.000 0.234 73 D C -0.062 176.299 176.300 0.102 0.000 1.196 73 D CA 0.658 54.730 54.000 0.120 0.000 0.881 73 D CB 0.234 41.097 40.800 0.105 0.000 1.205 73 D HN 0.373 nan 8.370 nan 0.000 0.453 74 N N 1.349 120.091 118.700 0.070 0.000 2.707 74 N HA 0.230 4.970 4.740 -0.001 0.000 0.249 74 N C -2.266 173.265 175.510 0.036 0.000 1.299 74 N CA -0.577 52.508 53.050 0.058 0.000 0.769 74 N CB 0.317 38.842 38.487 0.065 0.000 1.236 74 N HN 0.301 nan 8.380 nan 0.000 0.524 75 D N 0.930 121.337 120.400 0.013 0.000 2.726 75 D HA 0.420 5.059 4.640 -0.001 0.000 0.203 75 D C -1.048 175.214 176.300 -0.063 0.000 1.297 75 D CA -0.439 53.550 54.000 -0.017 0.000 0.863 75 D CB 1.188 41.990 40.800 0.002 0.000 1.669 75 D HN 0.234 nan 8.370 nan 0.000 0.561 76 A N 2.808 125.540 122.820 -0.147 0.000 2.538 76 A HA 0.379 4.699 4.320 -0.001 0.000 0.269 76 A C 0.682 178.201 177.584 -0.109 0.000 1.231 76 A CA 0.047 51.971 52.037 -0.188 0.000 0.948 76 A CB 0.087 18.783 19.000 -0.507 0.000 1.110 76 A HN 0.447 nan 8.150 nan 0.000 0.529 77 S N 1.523 117.168 115.700 -0.091 0.000 2.564 77 S HA 0.307 4.777 4.470 -0.001 0.000 0.278 77 S C -1.461 173.098 174.600 -0.069 0.000 1.333 77 S CA -0.848 57.305 58.200 -0.079 0.000 1.048 77 S CB 0.752 63.891 63.200 -0.102 0.000 0.900 77 S HN 0.271 nan 8.310 nan 0.000 0.505 78 P HA 0.246 nan 4.420 nan 0.000 0.253 78 P C -0.271 177.014 177.300 -0.026 0.000 1.281 78 P CA 0.108 63.190 63.100 -0.030 0.000 0.792 78 P CB -0.228 31.489 31.700 0.029 0.000 1.193 79 A N 0.278 123.069 122.820 -0.048 0.000 2.527 79 A HA 0.629 4.949 4.320 -0.001 0.000 0.293 79 A C -2.015 175.551 177.584 -0.031 0.000 1.117 79 A CA -1.585 50.431 52.037 -0.035 0.000 0.723 79 A CB 0.618 19.583 19.000 -0.058 0.000 1.313 79 A HN -0.267 nan 8.150 nan 0.000 0.411 80 P HA -0.142 nan 4.420 nan 0.000 0.218 80 P C 0.789 178.083 177.300 -0.009 0.000 1.154 80 P CA 1.987 65.088 63.100 0.001 0.000 0.872 80 P CB -0.134 31.572 31.700 0.010 0.000 0.790 81 S N -1.008 114.680 115.700 -0.021 0.000 2.545 81 S HA 0.404 4.874 4.470 -0.001 0.000 0.275 81 S C -2.553 172.023 174.600 -0.040 0.000 1.299 81 S CA -1.383 56.808 58.200 -0.014 0.000 1.048 81 S CB 0.470 63.677 63.200 0.011 0.000 0.938 81 S HN -0.091 nan 8.310 nan 0.000 0.496 82 P HA 0.398 nan 4.420 nan 0.000 0.276 82 P C -0.912 176.353 177.300 -0.059 0.000 1.252 82 P CA -0.510 62.572 63.100 -0.031 0.000 0.802 82 P CB 0.458 32.160 31.700 0.002 0.000 1.035 83 E N 1.363 121.525 120.200 -0.063 0.000 2.317 83 E HA 0.267 4.616 4.350 -0.001 0.000 0.270 83 E C -2.733 173.889 176.600 0.036 0.000 0.899 83 E CA -2.399 53.949 56.400 -0.086 0.000 0.814 83 E CB 1.554 31.109 29.700 -0.242 0.000 1.296 83 E HN 0.236 nan 8.360 nan 0.000 0.404 84 P HA -0.003 nan 4.420 nan 0.000 0.271 84 P C 0.722 178.084 177.300 0.103 0.000 1.218 84 P CA -0.263 62.911 63.100 0.122 0.000 0.780 84 P CB 1.704 33.503 31.700 0.165 0.000 0.901 85 V N 2.837 122.755 119.914 0.007 0.000 2.302 85 V HA -0.085 4.035 4.120 -0.001 0.000 0.243 85 V C 1.362 177.450 176.094 -0.010 0.000 1.036 85 V CA 1.449 63.724 62.300 -0.041 0.000 1.020 85 V CB -0.500 31.317 31.823 -0.011 0.000 0.657 85 V HN 0.418 nan 8.190 nan 0.000 0.453 86 L N 0.362 121.606 121.223 0.034 0.000 2.309 86 L HA 0.626 4.966 4.340 -0.001 0.000 0.282 86 L C 0.334 177.243 176.870 0.064 0.000 1.036 86 L CA -0.709 54.152 54.840 0.035 0.000 0.806 86 L CB 1.305 43.425 42.059 0.102 0.000 1.220 86 L HN 0.201 nan 8.230 nan 0.000 0.429 87 A N 1.537 124.381 122.820 0.040 0.000 2.584 87 A HA 0.213 4.532 4.320 -0.001 0.000 0.239 87 A C 0.615 178.243 177.584 0.074 0.000 1.043 87 A CA 0.183 52.252 52.037 0.053 0.000 0.756 87 A CB -0.323 18.684 19.000 0.011 0.000 0.963 87 A HN 0.744 nan 8.150 nan 0.000 0.511 88 T N 0.743 115.354 114.554 0.095 0.000 3.355 88 T HA 0.535 4.884 4.350 -0.001 0.000 0.376 88 T C 1.131 175.874 174.700 0.073 0.000 1.683 88 T CA 0.336 62.487 62.100 0.085 0.000 1.269 88 T CB 0.180 69.107 68.868 0.097 0.000 1.158 88 T HN 2.365 nan 8.240 nan 0.000 0.703 89 G N 2.541 111.366 108.800 0.042 0.000 2.320 89 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.242 89 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.242 89 G C -0.168 174.734 174.900 0.004 0.000 1.033 89 G CA 0.321 45.433 45.100 0.020 0.000 0.620 89 G HN 1.006 nan 8.290 nan 0.000 0.517 90 E N -0.727 119.484 120.200 0.018 0.000 2.413 90 E HA 0.681 5.031 4.350 -0.001 0.000 0.277 90 E C -0.355 176.203 176.600 -0.071 0.000 0.958 90 E CA -0.797 55.576 56.400 -0.045 0.000 0.779 90 E CB 2.512 32.155 29.700 -0.095 0.000 1.278 90 E HN 0.999 nan 8.360 nan 0.000 0.456 91 V N -1.698 118.112 119.914 -0.175 0.000 2.994 91 V HA 0.496 4.616 4.120 -0.001 0.000 0.318 91 V C -0.094 175.745 176.094 -0.426 0.000 1.085 91 V CA -0.530 61.646 62.300 -0.207 0.000 0.998 91 V CB 1.574 33.288 31.823 -0.181 0.000 1.063 91 V HN 0.925 nan 8.190 nan 0.000 0.447 92 H N 1.488 120.304 119.070 -0.423 0.000 3.230 92 H HA 0.402 4.958 4.556 -0.001 0.000 0.259 92 H C -0.582 174.635 175.328 -0.185 0.000 1.195 92 H CA 0.499 56.396 56.048 -0.252 0.000 1.112 92 H CB 1.179 30.883 29.762 -0.097 0.000 1.638 92 H HN 0.763 nan 8.280 nan 0.000 0.624 93 F N -1.788 117.961 119.950 -0.334 0.000 2.769 93 F HA 0.420 4.946 4.527 -0.001 0.000 0.313 93 F C -1.979 173.701 175.800 -0.201 0.000 1.146 93 F CA -1.320 56.535 58.000 -0.242 0.000 0.934 93 F CB 0.589 39.427 39.000 -0.270 0.000 1.283 93 F HN -0.337 nan 8.300 nan 0.000 0.443 94 V N 2.754 122.690 119.914 0.038 0.000 2.488 94 V HA 0.555 4.675 4.120 -0.001 0.000 0.277 94 V C 0.783 176.889 176.094 0.021 0.000 1.046 94 V CA 1.309 63.551 62.300 -0.096 0.000 0.986 94 V CB 0.234 32.062 31.823 0.009 0.000 0.989 94 V HN 1.573 nan 8.190 nan 0.000 0.475 95 G N 3.920 112.584 108.800 -0.227 0.000 2.612 95 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.200 95 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.200 95 G C 0.436 175.076 174.900 -0.434 0.000 1.053 95 G CA 0.101 45.185 45.100 -0.027 0.000 0.707 95 G HN 0.738 nan 8.290 nan 0.000 0.497 96 Q N 2.861 121.642 119.800 -1.699 0.000 2.436 96 Q HA 0.267 4.606 4.340 -0.001 0.000 0.326 96 Q C -2.227 173.478 176.000 -0.492 0.000 1.079 96 Q CA -0.403 54.686 55.803 -1.189 0.000 1.049 96 Q CB 0.481 28.350 28.738 -1.448 0.000 1.047 96 Q HN 0.297 nan 8.270 nan 0.000 0.386 97 P HA 0.045 nan 4.420 nan 0.000 0.275 97 P C -0.413 176.747 177.300 -0.234 0.000 1.227 97 P CA 0.338 63.234 63.100 -0.340 0.000 0.781 97 P CB 0.768 32.003 31.700 -0.774 0.000 0.906 98 I N 0.977 121.467 120.570 -0.134 0.000 4.228 98 I HA 0.190 4.360 4.170 -0.001 0.000 0.298 98 I C 0.444 176.689 176.117 0.212 0.000 1.206 98 I CA 0.240 61.568 61.300 0.046 0.000 1.322 98 I CB 0.265 38.353 38.000 0.147 0.000 1.411 98 I HN 0.280 nan 8.210 nan 0.000 0.454 99 F N 0.159 120.173 119.950 0.107 0.000 2.691 99 F HA 0.795 5.321 4.527 -0.001 0.000 0.334 99 F C -1.167 174.832 175.800 0.332 0.000 1.107 99 F CA -1.405 56.704 58.000 0.182 0.000 0.991 99 F CB 1.277 40.355 39.000 0.131 0.000 1.400 99 F HN -0.283 nan 8.300 nan 0.000 0.503 100 L N 1.745 123.279 121.223 0.517 0.000 2.386 100 L HA 0.833 5.173 4.340 -0.001 0.000 0.271 100 L C -1.601 175.566 176.870 0.495 0.000 0.993 100 L CA -0.771 54.347 54.840 0.463 0.000 0.819 100 L CB 2.130 44.498 42.059 0.515 0.000 1.294 100 L HN 0.610 nan 8.230 nan 0.000 0.414 101 V N 3.884 123.992 119.914 0.322 0.000 2.540 101 V HA 0.886 5.005 4.120 -0.001 0.000 0.302 101 V C -0.087 176.144 176.094 0.230 0.000 1.035 101 V CA -0.402 62.072 62.300 0.290 0.000 0.873 101 V CB 1.415 33.377 31.823 0.231 0.000 0.992 101 V HN 0.973 nan 8.190 nan 0.000 0.428 102 A N 3.601 126.569 122.820 0.247 0.000 2.304 102 A HA 0.979 5.299 4.320 -0.001 0.000 0.314 102 A C -0.060 177.620 177.584 0.159 0.000 1.187 102 A CA 0.041 52.202 52.037 0.206 0.000 0.810 102 A CB 1.225 20.381 19.000 0.260 0.000 1.183 102 A HN 1.403 nan 8.150 nan 0.000 0.487 103 A N 1.136 124.046 122.820 0.149 0.000 2.504 103 A HA 0.777 5.097 4.320 -0.001 0.000 0.285 103 A C 0.897 178.563 177.584 0.137 0.000 1.261 103 A CA 0.302 52.411 52.037 0.120 0.000 0.741 103 A CB 0.147 19.203 19.000 0.094 0.000 1.327 103 A HN 1.451 nan 8.150 nan 0.000 0.441 104 T N -1.473 113.141 114.554 0.100 0.000 3.194 104 T HA 0.362 4.712 4.350 -0.001 0.000 0.251 104 T C 0.413 175.154 174.700 0.067 0.000 1.132 104 T CA 0.786 62.950 62.100 0.106 0.000 1.028 104 T CB -0.907 68.003 68.868 0.069 0.000 0.976 104 T HN 1.942 nan 8.240 nan 0.000 0.535 105 S N -0.773 114.942 115.700 0.025 0.000 2.560 105 S HA 0.260 4.730 4.470 -0.001 0.000 0.283 105 S C 0.367 174.924 174.600 -0.072 0.000 1.141 105 S CA -0.740 57.360 58.200 -0.166 0.000 0.902 105 S CB 0.939 64.072 63.200 -0.111 0.000 1.104 105 S HN 0.295 nan 8.310 nan 0.000 0.454 106 H N 3.282 122.153 119.070 -0.331 0.000 2.275 106 H HA -0.220 4.335 4.556 -0.001 0.000 0.287 106 H C 1.953 177.264 175.328 -0.028 0.000 1.097 106 H CA 2.718 58.721 56.048 -0.074 0.000 1.169 106 H CB -0.054 29.666 29.762 -0.070 0.000 1.349 106 H HN 0.611 nan 8.280 nan 0.000 0.501 107 R N 0.223 120.732 120.500 0.013 0.000 2.132 107 R HA -0.194 4.146 4.340 -0.001 0.000 0.233 107 R C 2.591 178.863 176.300 -0.048 0.000 1.125 107 R CA 1.151 57.218 56.100 -0.055 0.000 0.914 107 R CB -1.238 29.057 30.300 -0.008 0.000 0.845 107 R HN 0.480 nan 8.270 nan 0.000 0.431 108 A N 1.375 124.187 122.820 -0.013 0.000 1.906 108 A HA -0.328 3.991 4.320 -0.001 0.000 0.222 108 A C 2.468 180.062 177.584 0.015 0.000 1.282 108 A CA 3.084 55.125 52.037 0.007 0.000 0.675 108 A CB -1.148 17.863 19.000 0.019 0.000 0.838 108 A HN 0.547 nan 8.150 nan 0.000 0.469 109 A N -1.031 121.802 122.820 0.022 0.000 1.873 109 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 109 A C 2.270 179.856 177.584 0.003 0.000 1.193 109 A CA 1.963 54.023 52.037 0.038 0.000 0.629 109 A CB -0.628 18.405 19.000 0.054 0.000 0.826 109 A HN 0.590 nan 8.150 nan 0.000 0.447 110 R N -0.832 119.620 120.500 -0.081 0.000 2.094 110 R HA -0.145 4.194 4.340 -0.001 0.000 0.239 110 R C 2.165 178.455 176.300 -0.016 0.000 1.137 110 R CA 1.797 57.844 56.100 -0.089 0.000 0.943 110 R CB -0.713 29.475 30.300 -0.186 0.000 0.850 110 R HN 0.617 nan 8.270 nan 0.000 0.433 111 I N 0.638 121.201 120.570 -0.012 0.000 2.091 111 I HA -0.350 3.820 4.170 -0.001 0.000 0.239 111 I C 2.671 178.817 176.117 0.048 0.000 1.061 111 I CA 1.623 62.933 61.300 0.017 0.000 1.317 111 I CB -0.491 37.517 38.000 0.014 0.000 1.031 111 I HN 0.242 nan 8.210 nan 0.000 0.401 112 A N 0.575 123.431 122.820 0.060 0.000 1.917 112 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 112 A C 2.421 180.103 177.584 0.164 0.000 1.182 112 A CA 1.970 54.067 52.037 0.099 0.000 0.633 112 A CB -0.964 18.100 19.000 0.107 0.000 0.819 112 A HN 0.499 nan 8.150 nan 0.000 0.448 113 A N -0.787 122.127 122.820 0.156 0.000 2.225 113 A HA -0.098 4.221 4.320 -0.001 0.000 0.215 113 A C 2.023 179.739 177.584 0.219 0.000 1.164 113 A CA 1.286 53.454 52.037 0.219 0.000 0.710 113 A CB -0.424 18.608 19.000 0.054 0.000 0.780 113 A HN 0.582 nan 8.150 nan 0.000 0.473 114 R N -0.702 119.885 120.500 0.145 0.000 2.300 114 R HA 0.099 4.439 4.340 -0.001 0.000 0.199 114 R C 0.869 177.242 176.300 0.123 0.000 0.920 114 R CA 0.364 56.541 56.100 0.127 0.000 1.046 114 R CB 0.108 30.456 30.300 0.079 0.000 0.984 114 R HN 0.403 nan 8.270 nan 0.000 0.493 115 K N 0.711 121.181 120.400 0.118 0.000 2.417 115 K HA 0.203 4.522 4.320 -0.001 0.000 0.196 115 K C 0.411 177.036 176.600 0.042 0.000 1.023 115 K CA -0.178 56.150 56.287 0.068 0.000 1.122 115 K CB 0.777 33.304 32.500 0.044 0.000 0.850 115 K HN 0.051 nan 8.250 nan 0.000 0.521 116 A N 1.809 124.672 122.820 0.071 0.000 2.346 116 A HA 0.234 4.554 4.320 -0.001 0.000 0.252 116 A C -0.128 177.445 177.584 -0.018 0.000 1.089 116 A CA -0.187 51.821 52.037 -0.048 0.000 0.797 116 A CB 0.347 19.265 19.000 -0.136 0.000 1.047 116 A HN 0.249 nan 8.150 nan 0.000 0.494 117 R N 0.589 121.050 120.500 -0.065 0.000 2.371 117 R HA 0.490 4.829 4.340 -0.001 0.000 0.312 117 R C -1.361 174.890 176.300 -0.082 0.000 0.980 117 R CA -0.033 56.040 56.100 -0.044 0.000 0.867 117 R CB 0.973 31.248 30.300 -0.042 0.000 1.163 117 R HN 0.657 nan 8.270 nan 0.000 0.492 118 I N 1.825 122.348 120.570 -0.078 0.000 2.530 118 I HA 0.346 4.515 4.170 -0.001 0.000 0.297 118 I C 0.394 176.370 176.117 -0.235 0.000 1.011 118 I CA -0.881 60.293 61.300 -0.211 0.000 1.107 118 I CB 2.419 40.232 38.000 -0.313 0.000 1.285 118 I HN 0.474 nan 8.210 nan 0.000 0.436 119 T N 1.559 115.935 114.554 -0.298 0.000 2.807 119 T HA 0.658 5.008 4.350 -0.001 0.000 0.279 119 T C -0.957 173.579 174.700 -0.274 0.000 0.993 119 T CA -0.635 61.355 62.100 -0.182 0.000 0.970 119 T CB 1.019 69.841 68.868 -0.077 0.000 0.950 119 T HN 0.284 nan 8.240 nan 0.000 0.441 120 Y N 0.724 121.006 120.300 -0.029 0.000 2.549 120 Y HA 0.691 5.241 4.550 -0.001 0.000 0.339 120 Y C 0.288 176.166 175.900 -0.036 0.000 1.053 120 Y CA -1.663 56.414 58.100 -0.039 0.000 1.105 120 Y CB 1.961 40.391 38.460 -0.050 0.000 1.258 120 Y HN 0.955 nan 8.280 nan 0.000 0.478 121 A N 3.178 126.069 122.820 0.120 0.000 2.786 121 A HA 0.589 4.909 4.320 -0.001 0.000 0.346 121 A C -2.810 174.796 177.584 0.037 0.000 1.265 121 A CA -1.771 50.298 52.037 0.053 0.000 0.858 121 A CB -0.483 18.529 19.000 0.021 0.000 1.118 121 A HN 0.419 nan 8.150 nan 0.000 0.482 122 P HA 0.219 nan 4.420 nan 0.000 0.269 122 P C -0.165 177.120 177.300 -0.024 0.000 1.211 122 P CA 0.361 63.452 63.100 -0.016 0.000 0.781 122 P CB 0.481 32.161 31.700 -0.032 0.000 0.877 123 R N 1.331 121.806 120.500 -0.042 0.000 2.836 123 R HA 0.543 4.882 4.340 -0.001 0.000 0.269 123 R C -2.528 173.748 176.300 -0.039 0.000 1.010 123 R CA -2.138 53.940 56.100 -0.037 0.000 0.930 123 R CB 0.171 30.445 30.300 -0.043 0.000 1.218 123 R HN 0.301 nan 8.270 nan 0.000 0.473 124 P HA 0.068 nan 4.420 nan 0.000 0.265 124 P C -1.168 176.113 177.300 -0.031 0.000 1.193 124 P CA -0.040 63.045 63.100 -0.025 0.000 0.765 124 P CB 0.718 32.406 31.700 -0.019 0.000 0.823 125 A N 3.700 126.501 122.820 -0.033 0.000 2.337 125 A HA 0.631 4.950 4.320 -0.001 0.000 0.329 125 A C -0.209 177.354 177.584 -0.035 0.000 1.146 125 A CA -0.886 51.128 52.037 -0.037 0.000 0.800 125 A CB 0.623 19.594 19.000 -0.049 0.000 1.220 125 A HN 0.492 nan 8.150 nan 0.000 0.472 126 I N 2.917 123.467 120.570 -0.032 0.000 2.297 126 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 126 I C 0.212 176.287 176.117 -0.071 0.000 1.033 126 I CA 0.151 61.425 61.300 -0.044 0.000 1.253 126 I CB 0.876 38.853 38.000 -0.038 0.000 1.396 126 I HN 0.635 nan 8.210 nan 0.000 0.476 127 L N 4.839 126.012 121.223 -0.083 0.000 2.731 127 L HA 0.245 4.585 4.340 -0.001 0.000 0.240 127 L C 0.554 177.341 176.870 -0.138 0.000 1.120 127 L CA 0.050 54.809 54.840 -0.136 0.000 0.913 127 L CB 0.072 42.057 42.059 -0.123 0.000 1.213 127 L HN 0.631 nan 8.230 nan 0.000 0.515 128 T N -4.347 110.153 114.554 -0.091 0.000 2.906 128 T HA 0.394 4.744 4.350 -0.001 0.000 0.295 128 T C 0.782 175.439 174.700 -0.071 0.000 1.061 128 T CA -0.733 61.321 62.100 -0.078 0.000 1.000 128 T CB 2.276 71.118 68.868 -0.042 0.000 1.103 128 T HN -0.276 nan 8.240 nan 0.000 0.486 129 L N 1.711 122.893 121.223 -0.067 0.000 1.997 129 L HA -0.097 4.243 4.340 -0.001 0.000 0.216 129 L C 2.152 178.982 176.870 -0.066 0.000 1.074 129 L CA 2.176 56.975 54.840 -0.069 0.000 0.763 129 L CB -1.699 40.325 42.059 -0.059 0.000 0.890 129 L HN 0.835 nan 8.230 nan 0.000 0.434 130 D N -1.335 119.035 120.400 -0.050 0.000 2.097 130 D HA -0.213 4.426 4.640 -0.001 0.000 0.195 130 D C 2.129 178.400 176.300 -0.048 0.000 0.989 130 D CA 1.006 54.977 54.000 -0.048 0.000 0.827 130 D CB -0.316 40.465 40.800 -0.031 0.000 0.966 130 D HN 0.403 nan 8.370 nan 0.000 0.456 131 Q N 0.405 120.179 119.800 -0.043 0.000 2.112 131 Q HA -0.144 4.196 4.340 -0.001 0.000 0.206 131 Q C 2.269 178.240 176.000 -0.050 0.000 0.987 131 Q CA 1.734 57.512 55.803 -0.041 0.000 0.858 131 Q CB -0.266 28.450 28.738 -0.037 0.000 0.905 131 Q HN 0.383 nan 8.270 nan 0.000 0.420 132 A N 0.442 123.226 122.820 -0.060 0.000 1.873 132 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 132 A C 2.002 179.545 177.584 -0.068 0.000 1.186 132 A CA 0.964 52.962 52.037 -0.066 0.000 0.616 132 A CB -0.667 18.289 19.000 -0.073 0.000 0.823 132 A HN 0.300 nan 8.150 nan 0.000 0.442 133 L N 0.017 121.191 121.223 -0.082 0.000 1.997 133 L HA -0.242 4.098 4.340 -0.001 0.000 0.216 133 L C 2.884 179.712 176.870 -0.069 0.000 1.074 133 L CA 2.287 57.067 54.840 -0.100 0.000 0.763 133 L CB -1.122 40.863 42.059 -0.125 0.000 0.890 133 L HN 0.423 nan 8.230 nan 0.000 0.434 134 A N -0.986 121.801 122.820 -0.056 0.000 1.892 134 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 134 A C 2.163 179.726 177.584 -0.035 0.000 1.188 134 A CA 2.149 54.162 52.037 -0.040 0.000 0.631 134 A CB -1.092 17.888 19.000 -0.033 0.000 0.822 134 A HN 0.520 nan 8.150 nan 0.000 0.447 135 A N -1.317 121.481 122.820 -0.037 0.000 2.302 135 A HA 0.337 4.657 4.320 -0.001 0.000 0.219 135 A C 0.658 178.221 177.584 -0.035 0.000 1.243 135 A CA 0.951 52.969 52.037 -0.032 0.000 0.856 135 A CB -0.669 18.311 19.000 -0.033 0.000 0.893 135 A HN 0.647 nan 8.150 nan 0.000 0.491 136 D N -0.312 120.066 120.400 -0.038 0.000 2.704 136 D HA -0.176 4.464 4.640 -0.001 0.000 0.232 136 D C 0.088 176.358 176.300 -0.049 0.000 1.183 136 D CA 1.057 55.037 54.000 -0.034 0.000 0.647 136 D CB -1.147 39.642 40.800 -0.018 0.000 1.013 136 D HN 0.354 nan 8.370 nan 0.000 0.415 137 S N 0.999 116.658 115.700 -0.069 0.000 2.404 137 S HA 0.560 5.029 4.470 -0.001 0.000 0.309 137 S C 0.044 174.550 174.600 -0.156 0.000 1.076 137 S CA -0.451 57.684 58.200 -0.108 0.000 1.095 137 S CB 0.310 63.452 63.200 -0.097 0.000 0.972 137 S HN 0.491 nan 8.310 nan 0.000 0.484 138 R N 2.689 123.064 120.500 -0.209 0.000 2.781 138 R HA 0.567 4.907 4.340 -0.001 0.000 0.268 138 R C -1.642 174.467 176.300 -0.318 0.000 1.047 138 R CA -0.929 55.047 56.100 -0.208 0.000 0.925 138 R CB 0.516 30.796 30.300 -0.034 0.000 1.246 138 R HN 0.437 nan 8.270 nan 0.000 0.456 139 F N 0.450 120.405 119.950 0.009 0.000 2.523 139 F HA 0.345 4.872 4.527 -0.001 0.000 0.329 139 F C 0.208 176.009 175.800 0.001 0.000 1.061 139 F CA -0.425 57.576 58.000 0.001 0.000 0.967 139 F CB 1.830 40.825 39.000 -0.009 0.000 1.218 139 F HN 0.774 nan 8.300 nan 0.000 0.480 140 E N 0.216 120.546 120.200 0.217 0.000 2.553 140 E HA -0.189 4.161 4.350 -0.001 0.000 0.264 140 E C 0.677 177.320 176.600 0.071 0.000 1.068 140 E CA 0.301 56.768 56.400 0.112 0.000 0.774 140 E CB -1.898 27.853 29.700 0.086 0.000 1.349 140 E HN 1.094 nan 8.360 nan 0.000 0.404 141 G N 0.053 108.891 108.800 0.063 0.000 2.318 141 G HA2 0.022 3.982 3.960 -0.001 0.000 0.272 141 G HA3 0.022 3.982 3.960 -0.001 0.000 0.272 141 G C 0.641 175.562 174.900 0.034 0.000 0.845 141 G CA 1.247 46.370 45.100 0.038 0.000 1.153 141 G HN 1.258 nan 8.290 nan 0.000 0.460 142 G N -0.405 108.418 108.800 0.040 0.000 2.375 142 G HA2 0.389 4.349 3.960 -0.001 0.000 0.663 142 G HA3 0.389 4.349 3.960 -0.001 0.000 0.663 142 G C -2.229 172.676 174.900 0.008 0.000 1.391 142 G CA -0.248 44.875 45.100 0.038 0.000 0.949 142 G HN 0.643 nan 8.290 nan 0.000 0.646 143 P HA 0.512 nan 4.420 nan 0.000 0.274 143 P C -0.293 176.893 177.300 -0.189 0.000 1.260 143 P CA -0.286 62.664 63.100 -0.251 0.000 0.793 143 P CB 1.193 32.466 31.700 -0.712 0.000 1.048 144 V N 1.396 121.166 119.914 -0.239 0.000 2.513 144 V HA 0.401 4.520 4.120 -0.001 0.000 0.299 144 V C 0.447 176.386 176.094 -0.259 0.000 1.035 144 V CA -0.513 61.669 62.300 -0.197 0.000 0.889 144 V CB 1.209 32.896 31.823 -0.227 0.000 0.988 144 V HN 0.353 nan 8.190 nan 0.000 0.440 145 I N 3.820 124.315 120.570 -0.125 0.000 2.498 145 I HA 0.512 4.682 4.170 -0.001 0.000 0.290 145 I C -1.265 174.981 176.117 0.216 0.000 1.032 145 I CA -0.326 60.946 61.300 -0.047 0.000 1.073 145 I CB 2.151 40.163 38.000 0.020 0.000 1.251 145 I HN 0.483 nan 8.210 nan 0.000 0.426 146 W N 4.458 125.805 121.300 0.079 0.000 2.844 146 W HA 0.816 5.476 4.660 -0.001 0.000 0.340 146 W C -0.542 176.053 176.519 0.127 0.000 1.093 146 W CA -1.505 55.914 57.345 0.123 0.000 1.212 146 W CB 1.985 31.562 29.460 0.195 0.000 1.422 146 W HN 0.440 nan 8.180 nan 0.000 0.515 147 A N 3.044 126.085 122.820 0.368 0.000 2.437 147 A HA 0.735 5.054 4.320 -0.001 0.000 0.293 147 A C -1.275 176.429 177.584 0.199 0.000 1.038 147 A CA -0.848 51.332 52.037 0.239 0.000 0.708 147 A CB 1.959 21.058 19.000 0.165 0.000 1.251 147 A HN 0.550 nan 8.150 nan 0.000 0.409 148 R N 2.378 122.989 120.500 0.184 0.000 2.476 148 R HA 0.596 4.935 4.340 -0.001 0.000 0.305 148 R C 0.472 176.831 176.300 0.097 0.000 0.965 148 R CA 0.769 56.955 56.100 0.144 0.000 0.867 148 R CB 1.235 31.642 30.300 0.179 0.000 1.176 148 R HN 2.442 nan 8.270 nan 0.000 0.447 149 G N 3.033 111.879 108.800 0.077 0.000 2.593 149 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.237 149 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.237 149 G C -1.104 173.827 174.900 0.050 0.000 1.312 149 G CA 0.218 45.351 45.100 0.056 0.000 0.896 149 G HN 0.649 nan 8.290 nan 0.000 0.574 150 D N -0.029 120.392 120.400 0.035 0.000 2.375 150 D HA 0.493 5.133 4.640 -0.001 0.000 0.259 150 D C 1.686 177.996 176.300 0.017 0.000 1.235 150 D CA 0.289 54.307 54.000 0.030 0.000 0.924 150 D CB 0.794 41.610 40.800 0.026 0.000 1.143 150 D HN 0.822 nan 8.370 nan 0.000 0.529 151 V N 2.236 122.160 119.914 0.017 0.000 2.287 151 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 151 V C 2.065 178.153 176.094 -0.009 0.000 1.053 151 V CA 1.254 63.554 62.300 -0.001 0.000 1.027 151 V CB -0.583 31.240 31.823 -0.000 0.000 0.646 151 V HN 0.422 nan 8.190 nan 0.000 0.447 152 E N 0.954 121.153 120.200 -0.001 0.000 2.058 152 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 152 E C 2.350 178.945 176.600 -0.009 0.000 0.997 152 E CA 2.113 58.508 56.400 -0.007 0.000 0.801 152 E CB -0.834 28.866 29.700 0.000 0.000 0.746 152 E HN 0.695 nan 8.360 nan 0.000 0.450 153 T N 1.788 116.341 114.554 -0.002 0.000 2.635 153 T HA -0.186 4.164 4.350 -0.001 0.000 0.267 153 T C 2.085 176.779 174.700 -0.009 0.000 1.040 153 T CA 1.852 63.950 62.100 -0.003 0.000 1.156 153 T CB -0.396 68.474 68.868 0.004 0.000 0.863 153 T HN 0.327 nan 8.240 nan 0.000 0.430 154 A N 1.197 124.010 122.820 -0.011 0.000 1.908 154 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 154 A C 2.338 179.906 177.584 -0.026 0.000 1.181 154 A CA 1.463 53.490 52.037 -0.017 0.000 0.627 154 A CB -0.893 18.094 19.000 -0.022 0.000 0.818 154 A HN 0.507 nan 8.150 nan 0.000 0.445 155 L N -0.955 120.249 121.223 -0.032 0.000 2.072 155 L HA -0.108 4.232 4.340 -0.001 0.000 0.205 155 L C 3.065 179.912 176.870 -0.039 0.000 1.079 155 L CA 0.861 55.676 54.840 -0.042 0.000 0.752 155 L CB -0.684 41.345 42.059 -0.049 0.000 0.906 155 L HN 0.398 nan 8.230 nan 0.000 0.436 156 A N 0.602 123.403 122.820 -0.031 0.000 1.927 156 A HA -0.175 4.145 4.320 -0.001 0.000 0.220 156 A C 1.937 179.501 177.584 -0.033 0.000 1.185 156 A CA 1.880 53.898 52.037 -0.030 0.000 0.639 156 A CB -1.170 17.817 19.000 -0.022 0.000 0.820 156 A HN 0.452 nan 8.150 nan 0.000 0.451 157 G N -0.944 107.839 108.800 -0.028 0.000 3.882 157 G HA2 0.502 4.462 3.960 -0.001 0.000 0.283 157 G HA3 0.502 4.462 3.960 -0.001 0.000 0.283 157 G C 0.006 174.886 174.900 -0.034 0.000 1.283 157 G CA 0.522 45.605 45.100 -0.029 0.000 1.402 157 G HN 0.772 nan 8.290 nan 0.000 0.618 158 A N 0.070 122.863 122.820 -0.045 0.000 2.303 158 A HA 0.758 5.078 4.320 -0.001 0.000 0.320 158 A C 1.356 178.893 177.584 -0.079 0.000 1.192 158 A CA 0.180 52.190 52.037 -0.044 0.000 0.821 158 A CB 1.250 20.228 19.000 -0.037 0.000 1.188 158 A HN 0.773 nan 8.150 nan 0.000 0.492 159 A N 2.131 124.911 122.820 -0.065 0.000 1.915 159 A HA -0.092 4.228 4.320 -0.001 0.000 0.220 159 A C 0.902 178.220 177.584 -0.443 0.000 1.198 159 A CA 2.119 54.046 52.037 -0.183 0.000 0.647 159 A CB -0.688 18.306 19.000 -0.010 0.000 0.825 159 A HN 0.921 nan 8.150 nan 0.000 0.456 160 H N -3.733 115.302 119.070 -0.059 0.000 2.797 160 H HA 0.786 5.342 4.556 -0.001 0.000 0.372 160 H C -1.072 174.200 175.328 -0.094 0.000 1.168 160 H CA -0.599 55.404 56.048 -0.075 0.000 1.163 160 H CB 1.702 31.418 29.762 -0.076 0.000 1.778 160 H HN 0.297 nan 8.280 nan 0.000 0.551 161 L N 0.752 121.982 121.223 0.011 0.000 2.556 161 L HA 0.771 5.110 4.340 -0.001 0.000 0.257 161 L C -1.589 175.190 176.870 -0.151 0.000 0.955 161 L CA -0.349 54.446 54.840 -0.075 0.000 0.850 161 L CB 1.940 43.946 42.059 -0.087 0.000 1.398 161 L HN 0.839 nan 8.230 nan 0.000 0.412 162 A N 3.226 125.931 122.820 -0.191 0.000 2.402 162 A HA 0.781 5.100 4.320 -0.001 0.000 0.291 162 A C -1.371 176.090 177.584 -0.206 0.000 1.051 162 A CA -0.566 51.263 52.037 -0.346 0.000 0.716 162 A CB 1.226 19.925 19.000 -0.502 0.000 1.223 162 A HN 0.619 nan 8.150 nan 0.000 0.425 163 E N 0.962 120.999 120.200 -0.272 0.000 2.221 163 E HA 0.750 5.099 4.350 -0.001 0.000 0.268 163 E C -0.040 176.363 176.600 -0.329 0.000 0.933 163 E CA -0.959 55.297 56.400 -0.240 0.000 0.809 163 E CB 2.551 32.143 29.700 -0.179 0.000 1.190 163 E HN 1.023 nan 8.360 nan 0.000 0.406 164 G N -0.126 108.262 108.800 -0.686 0.000 2.489 164 G HA2 0.420 4.380 3.960 -0.001 0.000 0.291 164 G HA3 0.420 4.380 3.960 -0.001 0.000 0.291 164 G C -1.731 172.691 174.900 -0.796 0.000 1.487 164 G CA -0.474 44.260 45.100 -0.611 0.000 0.795 164 G HN 0.663 nan 8.290 nan 0.000 0.513 165 C N 0.794 120.029 119.300 -0.109 0.000 2.880 165 C HA 0.987 5.446 4.460 -0.001 0.000 0.320 165 C C -1.246 174.007 174.990 0.439 0.000 1.176 165 C CA -0.970 58.125 59.018 0.130 0.000 1.390 165 C CB 0.074 27.861 27.740 0.079 0.000 1.846 165 C HN 1.783 nan 8.230 nan 0.000 0.478 166 F N 2.579 122.657 119.950 0.214 0.000 2.741 166 F HA 0.741 5.267 4.527 -0.001 0.000 0.311 166 F C -1.161 174.739 175.800 0.166 0.000 1.149 166 F CA -0.700 57.425 58.000 0.209 0.000 0.930 166 F CB 1.033 40.205 39.000 0.285 0.000 1.312 166 F HN 0.535 nan 8.300 nan 0.000 0.450 167 E N 2.502 122.678 120.200 -0.040 0.000 2.191 167 E HA 0.565 4.915 4.350 -0.001 0.000 0.274 167 E C -1.043 175.402 176.600 -0.259 0.000 0.948 167 E CA -0.672 55.639 56.400 -0.149 0.000 0.802 167 E CB 2.967 32.666 29.700 -0.002 0.000 1.137 167 E HN 0.626 nan 8.360 nan 0.000 0.397 168 I N 1.498 121.931 120.570 -0.228 0.000 2.439 168 I HA 0.263 4.432 4.170 -0.001 0.000 0.285 168 I C 0.543 176.631 176.117 -0.048 0.000 1.021 168 I CA -0.684 60.473 61.300 -0.239 0.000 1.091 168 I CB 1.916 39.768 38.000 -0.247 0.000 1.242 168 I HN 0.459 nan 8.210 nan 0.000 0.439 169 G N 3.779 112.531 108.800 -0.080 0.000 2.572 169 G HA2 0.488 4.447 3.960 -0.001 0.000 0.261 169 G HA3 0.488 4.447 3.960 -0.001 0.000 0.261 169 G C 0.462 175.501 174.900 0.232 0.000 1.197 169 G CA -0.131 45.006 45.100 0.062 0.000 0.870 169 G HN 0.692 nan 8.290 nan 0.000 0.548 170 G N -1.373 107.573 108.800 0.243 0.000 2.468 170 G HA2 0.483 4.442 3.960 -0.001 0.000 0.264 170 G HA3 0.483 4.442 3.960 -0.001 0.000 0.264 170 G C -0.133 174.917 174.900 0.249 0.000 1.460 170 G CA 0.003 45.250 45.100 0.244 0.000 1.060 170 G HN 0.804 nan 8.290 nan 0.000 0.543 171 Q N -1.447 118.377 119.800 0.040 0.000 2.468 171 Q HA 0.303 4.642 4.340 -0.001 0.000 0.263 171 Q C -1.925 173.983 176.000 -0.152 0.000 0.979 171 Q CA -0.689 55.100 55.803 -0.022 0.000 0.932 171 Q CB 1.888 30.424 28.738 -0.337 0.000 1.462 171 Q HN 0.490 nan 8.270 nan 0.000 0.403 172 E N 1.801 121.919 120.200 -0.137 0.000 2.227 172 E HA 0.217 4.567 4.350 -0.001 0.000 0.282 172 E C -0.162 176.540 176.600 0.171 0.000 1.015 172 E CA 0.274 56.557 56.400 -0.193 0.000 0.823 172 E CB 0.706 29.946 29.700 -0.767 0.000 1.081 172 E HN 0.720 nan 8.360 nan 0.000 0.396 173 H N 4.013 123.276 119.070 0.323 0.000 2.289 173 H HA -0.131 4.424 4.556 -0.001 0.000 0.294 173 H C 0.169 175.455 175.328 -0.070 0.000 1.095 173 H CA 2.017 58.053 56.048 -0.021 0.000 1.256 173 H CB -0.291 29.240 29.762 -0.384 0.000 1.359 173 H HN 0.634 nan 8.280 nan 0.000 0.487 174 F N -0.204 119.547 119.950 -0.332 0.000 3.039 174 F HA -0.238 4.288 4.527 -0.001 0.000 0.287 174 F C -0.862 174.832 175.800 -0.177 0.000 0.956 174 F CA -0.362 57.480 58.000 -0.264 0.000 0.971 174 F CB -2.031 36.953 39.000 -0.027 0.000 0.943 174 F HN 0.145 nan 8.300 nan 0.000 0.766 175 Y N -0.123 120.169 120.300 -0.013 0.000 2.526 175 Y HA 0.250 4.799 4.550 -0.001 0.000 0.330 175 Y C 1.168 176.960 175.900 -0.180 0.000 1.156 175 Y CA -1.254 56.880 58.100 0.057 0.000 1.419 175 Y CB 0.100 38.616 38.460 0.094 0.000 1.250 175 Y HN 0.101 nan 8.280 nan 0.000 0.540 176 L N 1.297 122.547 121.223 0.044 0.000 2.083 176 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 176 L C 1.180 177.991 176.870 -0.099 0.000 1.083 176 L CA 1.465 56.238 54.840 -0.112 0.000 0.752 176 L CB -0.649 41.370 42.059 -0.066 0.000 0.899 176 L HN 0.869 nan 8.230 nan 0.000 0.433 177 E N 0.022 120.184 120.200 -0.063 0.000 2.259 177 E HA 0.340 4.689 4.350 -0.001 0.000 0.281 177 E C 0.001 176.574 176.600 -0.045 0.000 1.027 177 E CA -0.240 56.088 56.400 -0.120 0.000 0.838 177 E CB 1.390 30.971 29.700 -0.198 0.000 1.066 177 E HN 0.181 nan 8.360 nan 0.000 0.401 178 G N 3.000 111.783 108.800 -0.029 0.000 2.580 178 G HA2 0.073 4.033 3.960 -0.001 0.000 0.278 178 G HA3 0.073 4.033 3.960 -0.001 0.000 0.278 178 G C -0.191 174.621 174.900 -0.146 0.000 1.212 178 G CA -0.553 44.565 45.100 0.030 0.000 0.939 178 G HN 0.559 nan 8.290 nan 0.000 0.513 179 Q N -0.777 118.929 119.800 -0.156 0.000 2.333 179 Q HA 0.398 4.738 4.340 -0.001 0.000 0.299 179 Q C 0.199 176.023 176.000 -0.294 0.000 1.067 179 Q CA 0.815 56.452 55.803 -0.277 0.000 0.943 179 Q CB 1.057 29.652 28.738 -0.239 0.000 1.233 179 Q HN 0.813 nan 8.270 nan 0.000 0.401 180 A N 0.118 122.779 122.820 -0.266 0.000 2.586 180 A HA 0.839 5.159 4.320 -0.001 0.000 0.291 180 A C -1.760 175.729 177.584 -0.159 0.000 1.062 180 A CA 0.066 51.971 52.037 -0.220 0.000 0.666 180 A CB 1.348 20.260 19.000 -0.148 0.000 1.281 180 A HN 0.893 nan 8.150 nan 0.000 0.421 181 A N -0.671 122.070 122.820 -0.133 0.000 2.544 181 A HA 0.864 5.184 4.320 -0.001 0.000 0.291 181 A C -2.106 175.433 177.584 -0.075 0.000 1.055 181 A CA 0.104 52.090 52.037 -0.086 0.000 0.651 181 A CB 0.951 19.895 19.000 -0.092 0.000 1.296 181 A HN 2.513 nan 8.150 nan 0.000 0.431 182 L N -0.227 120.977 121.223 -0.032 0.000 2.549 182 L HA 0.893 5.232 4.340 -0.001 0.000 0.259 182 L C -0.750 176.125 176.870 0.007 0.000 0.934 182 L CA 0.380 55.204 54.840 -0.027 0.000 0.865 182 L CB 1.859 43.916 42.059 -0.002 0.000 1.352 182 L HN 1.978 nan 8.230 nan 0.000 0.410 183 A N 5.148 127.959 122.820 -0.015 0.000 2.374 183 A HA 0.873 5.192 4.320 -0.001 0.000 0.305 183 A C -1.757 175.825 177.584 -0.004 0.000 1.053 183 A CA -0.446 51.581 52.037 -0.016 0.000 0.726 183 A CB 1.268 20.245 19.000 -0.038 0.000 1.229 183 A HN 0.686 nan 8.150 nan 0.000 0.431 184 L N 3.792 125.018 121.223 0.006 0.000 2.349 184 L HA 0.479 4.819 4.340 -0.001 0.000 0.278 184 L C -2.325 174.545 176.870 -0.000 0.000 0.996 184 L CA -2.106 52.741 54.840 0.011 0.000 0.825 184 L CB 2.359 44.441 42.059 0.039 0.000 1.243 184 L HN 0.475 nan 8.230 nan 0.000 0.412 185 P HA 0.113 nan 4.420 nan 0.000 0.268 185 P C -0.778 176.523 177.300 0.001 0.000 1.205 185 P CA -0.157 62.944 63.100 0.001 0.000 0.771 185 P CB 1.265 32.970 31.700 0.008 0.000 0.858 186 A N 3.168 125.986 122.820 -0.003 0.000 2.876 186 A HA 0.318 4.638 4.320 -0.001 0.000 0.309 186 A C 0.060 177.640 177.584 -0.007 0.000 1.168 186 A CA -0.632 51.403 52.037 -0.005 0.000 0.762 186 A CB -0.142 18.852 19.000 -0.010 0.000 1.262 186 A HN 0.671 nan 8.150 nan 0.000 0.435 187 E N 0.948 121.146 120.200 -0.003 0.000 2.055 187 E HA -0.180 4.170 4.350 -0.001 0.000 0.251 187 E C 0.954 177.551 176.600 -0.005 0.000 1.718 187 E CA 0.915 57.313 56.400 -0.003 0.000 0.881 187 E CB -1.579 28.117 29.700 -0.006 0.000 0.890 187 E HN 2.336 nan 8.360 nan 0.000 0.319 188 G N 1.814 110.616 108.800 0.002 0.000 2.708 188 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.229 188 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.229 188 G C 0.615 175.519 174.900 0.006 0.000 1.236 188 G CA 0.416 45.518 45.100 0.004 0.000 0.749 188 G HN 1.352 nan 8.290 nan 0.000 0.515 189 G N -1.158 107.641 108.800 -0.002 0.000 3.119 189 G HA2 0.864 4.824 3.960 -0.001 0.000 0.206 189 G HA3 0.864 4.824 3.960 -0.001 0.000 0.206 189 G C -0.547 174.347 174.900 -0.009 0.000 1.313 189 G CA 0.563 45.663 45.100 -0.001 0.000 1.010 189 G HN 1.548 nan 8.290 nan 0.000 0.578 190 V N -2.448 117.455 119.914 -0.019 0.000 3.049 190 V HA 0.759 4.878 4.120 -0.001 0.000 0.309 190 V C -0.762 175.301 176.094 -0.051 0.000 1.148 190 V CA -0.973 61.309 62.300 -0.030 0.000 0.990 190 V CB 1.376 33.177 31.823 -0.036 0.000 1.039 190 V HN 0.548 nan 8.190 nan 0.000 0.430 191 V N 3.675 123.553 119.914 -0.060 0.000 2.513 191 V HA 0.614 4.733 4.120 -0.001 0.000 0.299 191 V C -0.722 175.290 176.094 -0.137 0.000 1.035 191 V CA -0.460 61.772 62.300 -0.114 0.000 0.889 191 V CB 1.776 33.535 31.823 -0.107 0.000 0.988 191 V HN 0.698 nan 8.190 nan 0.000 0.440 192 I N 3.962 124.408 120.570 -0.206 0.000 2.436 192 I HA 0.476 4.646 4.170 -0.001 0.000 0.289 192 I C -0.239 175.703 176.117 -0.292 0.000 1.010 192 I CA -0.620 60.580 61.300 -0.166 0.000 1.098 192 I CB 1.693 39.619 38.000 -0.124 0.000 1.266 192 I HN 0.570 nan 8.210 nan 0.000 0.434 193 H N 4.949 123.986 119.070 -0.055 0.000 2.458 193 H HA 0.650 5.206 4.556 -0.001 0.000 0.330 193 H C -0.225 175.066 175.328 -0.062 0.000 1.111 193 H CA -0.223 55.793 56.048 -0.053 0.000 1.245 193 H CB 2.366 32.099 29.762 -0.050 0.000 1.456 193 H HN 0.836 nan 8.280 nan 0.000 0.488 194 C N 0.443 119.764 119.300 0.035 0.000 3.314 194 C HA 0.467 4.927 4.460 -0.001 0.000 0.344 194 C C 0.501 175.478 174.990 -0.022 0.000 1.461 194 C CA -1.094 57.918 59.018 -0.011 0.000 1.249 194 C CB 1.306 29.018 27.740 -0.047 0.000 1.632 194 C HN 0.688 nan 8.230 nan 0.000 0.452 195 S N 1.204 116.869 115.700 -0.060 0.000 2.912 195 S HA 0.603 5.073 4.470 -0.001 0.000 0.184 195 S C -0.157 174.382 174.600 -0.103 0.000 1.390 195 S CA 0.327 58.485 58.200 -0.070 0.000 1.088 195 S CB -0.901 62.242 63.200 -0.094 0.000 1.284 195 S HN 1.536 nan 8.310 nan 0.000 0.502 196 S N 2.390 118.048 115.700 -0.071 0.000 2.634 196 S HA 0.445 4.915 4.470 -0.001 0.000 0.296 196 S C 0.471 175.043 174.600 -0.046 0.000 1.104 196 S CA -0.641 57.518 58.200 -0.069 0.000 0.920 196 S CB 1.582 64.756 63.200 -0.042 0.000 1.111 196 S HN 0.596 nan 8.310 nan 0.000 0.493 197 Q N 0.642 120.421 119.800 -0.035 0.000 2.403 197 Q HA 0.163 4.502 4.340 -0.001 0.000 0.203 197 Q C -0.064 175.980 176.000 0.073 0.000 0.932 197 Q CA 0.396 56.188 55.803 -0.019 0.000 0.945 197 Q CB 0.012 28.720 28.738 -0.051 0.000 1.045 197 Q HN 0.787 nan 8.270 nan 0.000 0.511 198 H N 0.011 119.052 119.070 -0.048 0.000 2.514 198 H HA 0.134 4.690 4.556 -0.001 0.000 0.226 198 H C -2.104 173.194 175.328 -0.050 0.000 1.421 198 H CA -2.152 53.873 56.048 -0.038 0.000 1.394 198 H CB 1.137 30.883 29.762 -0.027 0.000 1.701 198 H HN -0.008 nan 8.280 nan 0.000 0.515 199 P HA -0.144 nan 4.420 nan 0.000 0.215 199 P C 1.608 178.833 177.300 -0.124 0.000 1.153 199 P CA 1.045 64.112 63.100 -0.055 0.000 0.853 199 P CB 0.388 32.067 31.700 -0.035 0.000 0.788 200 S N -0.336 115.315 115.700 -0.081 0.000 2.383 200 S HA -0.210 4.260 4.470 -0.001 0.000 0.229 200 S C 2.001 176.422 174.600 -0.298 0.000 1.030 200 S CA 1.441 59.560 58.200 -0.135 0.000 1.002 200 S CB -0.739 62.450 63.200 -0.018 0.000 0.829 200 S HN 0.338 nan 8.310 nan 0.000 0.467 201 E N 0.720 120.550 120.200 -0.616 0.000 2.051 201 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 201 E C 1.862 178.264 176.600 -0.331 0.000 0.991 201 E CA 1.031 57.077 56.400 -0.589 0.000 0.799 201 E CB -0.087 29.056 29.700 -0.928 0.000 0.748 201 E HN 0.309 nan 8.360 nan 0.000 0.449 202 I N 1.353 121.767 120.570 -0.260 0.000 2.335 202 I HA -0.282 3.887 4.170 -0.001 0.000 0.251 202 I C 2.485 178.492 176.117 -0.183 0.000 1.129 202 I CA 1.394 62.594 61.300 -0.167 0.000 1.402 202 I CB -1.018 36.907 38.000 -0.124 0.000 1.069 202 I HN 0.397 nan 8.210 nan 0.000 0.424 203 Q N 0.277 119.937 119.800 -0.234 0.000 2.002 203 Q HA -0.285 4.055 4.340 -0.001 0.000 0.204 203 Q C 2.341 178.084 176.000 -0.429 0.000 0.988 203 Q CA 2.173 57.795 55.803 -0.303 0.000 0.843 203 Q CB -0.244 28.293 28.738 -0.335 0.000 0.908 203 Q HN 0.610 nan 8.270 nan 0.000 0.420 204 H N -0.142 118.532 119.070 -0.660 0.000 2.289 204 H HA -0.131 4.425 4.556 -0.001 0.000 0.296 204 H C 1.933 177.009 175.328 -0.420 0.000 1.091 204 H CA 1.720 57.273 56.048 -0.825 0.000 1.274 204 H CB 0.271 29.732 29.762 -0.501 0.000 1.364 204 H HN 0.049 nan 8.280 nan 0.000 0.490 205 K N 0.216 120.607 120.400 -0.015 0.000 2.097 205 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 205 K C 2.323 178.936 176.600 0.021 0.000 1.049 205 K CA 1.002 57.323 56.287 0.057 0.000 0.933 205 K CB -0.288 32.200 32.500 -0.021 0.000 0.717 205 K HN 0.249 nan 8.250 nan 0.000 0.442 206 V N 1.655 121.533 119.914 -0.061 0.000 2.358 206 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 206 V C 2.505 178.576 176.094 -0.040 0.000 1.047 206 V CA 1.896 64.168 62.300 -0.047 0.000 1.035 206 V CB -0.725 31.053 31.823 -0.076 0.000 0.658 206 V HN 0.287 nan 8.190 nan 0.000 0.452 207 A N -0.705 122.046 122.820 -0.116 0.000 1.883 207 A HA -0.297 4.023 4.320 -0.001 0.000 0.217 207 A C 1.994 179.576 177.584 -0.004 0.000 1.186 207 A CA 2.305 54.293 52.037 -0.081 0.000 0.624 207 A CB -0.977 17.961 19.000 -0.104 0.000 0.822 207 A HN 0.719 nan 8.150 nan 0.000 0.444 208 H N -0.851 118.266 119.070 0.078 0.000 2.387 208 H HA 0.008 4.563 4.556 -0.001 0.000 0.299 208 H C 2.366 177.727 175.328 0.056 0.000 1.090 208 H CA 0.885 56.980 56.048 0.078 0.000 1.332 208 H CB 0.008 29.854 29.762 0.140 0.000 1.386 208 H HN 0.564 nan 8.280 nan 0.000 0.516 209 A N 0.457 123.377 122.820 0.168 0.000 2.067 209 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 209 A C 1.975 179.636 177.584 0.128 0.000 1.158 209 A CA 0.931 53.049 52.037 0.135 0.000 0.661 209 A CB -0.113 18.937 19.000 0.085 0.000 0.801 209 A HN 0.340 nan 8.150 nan 0.000 0.452 210 L N -1.916 119.343 121.223 0.059 0.000 2.664 210 L HA 0.255 4.594 4.340 -0.001 0.000 0.233 210 L C 1.406 178.177 176.870 -0.165 0.000 1.113 210 L CA 0.538 55.396 54.840 0.031 0.000 0.896 210 L CB -0.030 42.036 42.059 0.011 0.000 1.163 210 L HN 0.537 nan 8.230 nan 0.000 0.497 211 G N 1.601 110.199 108.800 -0.336 0.000 2.182 211 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.248 211 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.248 211 G C -0.277 174.479 174.900 -0.240 0.000 1.042 211 G CA -0.055 44.666 45.100 -0.633 0.000 0.775 211 G HN 0.220 nan 8.290 nan 0.000 0.501 212 L N -0.379 120.783 121.223 -0.102 0.000 2.370 212 L HA 0.825 5.165 4.340 -0.001 0.000 0.266 212 L C 0.893 177.752 176.870 -0.017 0.000 1.002 212 L CA -0.843 53.977 54.840 -0.035 0.000 0.818 212 L CB 1.964 44.026 42.059 0.005 0.000 1.325 212 L HN 0.334 nan 8.230 nan 0.000 0.418 213 A N 1.105 123.896 122.820 -0.048 0.000 2.448 213 A HA 0.225 4.545 4.320 -0.001 0.000 0.239 213 A C 0.824 178.436 177.584 0.048 0.000 1.080 213 A CA -0.013 51.927 52.037 -0.162 0.000 0.779 213 A CB 0.007 18.756 19.000 -0.419 0.000 1.026 213 A HN 0.616 nan 8.150 nan 0.000 0.499 214 F N 1.021 120.811 119.950 -0.267 0.000 2.120 214 F HA -0.234 4.292 4.527 -0.001 0.000 0.300 214 F C 2.403 178.172 175.800 -0.052 0.000 1.095 214 F CA 2.185 60.074 58.000 -0.184 0.000 1.249 214 F CB -1.504 37.376 39.000 -0.200 0.000 0.995 214 F HN 0.901 nan 8.300 nan 0.000 0.480 215 H N -2.056 117.081 119.070 0.111 0.000 2.541 215 H HA -0.085 4.471 4.556 -0.001 0.000 0.289 215 H C 0.527 175.863 175.328 0.014 0.000 1.054 215 H CA 0.951 57.024 56.048 0.041 0.000 1.250 215 H CB -0.355 29.413 29.762 0.010 0.000 1.369 215 H HN 0.126 nan 8.280 nan 0.000 0.578 216 D N 1.439 122.047 120.400 0.348 0.000 2.336 216 D HA 0.167 4.807 4.640 -0.001 0.000 0.228 216 D C -0.509 175.825 176.300 0.056 0.000 1.120 216 D CA 0.079 54.171 54.000 0.154 0.000 0.839 216 D CB 0.714 41.605 40.800 0.150 0.000 0.932 216 D HN 0.158 nan 8.370 nan 0.000 0.509 217 V N 0.817 120.753 119.914 0.036 0.000 2.623 217 V HA 0.354 4.473 4.120 -0.001 0.000 0.304 217 V C -0.155 175.905 176.094 -0.058 0.000 1.054 217 V CA -0.963 61.318 62.300 -0.032 0.000 0.882 217 V CB 2.983 34.766 31.823 -0.067 0.000 1.002 217 V HN -0.126 nan 8.190 nan 0.000 0.424 218 R N 3.487 123.941 120.500 -0.077 0.000 2.534 218 R HA 0.820 5.160 4.340 -0.001 0.000 0.301 218 R C -1.906 174.312 176.300 -0.137 0.000 0.961 218 R CA -0.358 55.686 56.100 -0.093 0.000 0.871 218 R CB 2.096 32.347 30.300 -0.083 0.000 1.170 218 R HN 0.526 nan 8.270 nan 0.000 0.446 219 V N 3.832 123.667 119.914 -0.133 0.000 2.555 219 V HA 0.416 4.536 4.120 -0.001 0.000 0.302 219 V C -0.480 175.524 176.094 -0.150 0.000 1.038 219 V CA -0.700 61.505 62.300 -0.157 0.000 0.887 219 V CB 1.893 33.639 31.823 -0.127 0.000 0.991 219 V HN 0.803 nan 8.190 nan 0.000 0.434 220 E N 3.895 123.976 120.200 -0.198 0.000 2.248 220 E HA 0.671 5.021 4.350 -0.001 0.000 0.267 220 E C -1.042 175.522 176.600 -0.059 0.000 0.877 220 E CA -0.855 55.469 56.400 -0.127 0.000 0.759 220 E CB 2.449 32.050 29.700 -0.166 0.000 1.182 220 E HN 0.637 nan 8.360 nan 0.000 0.418 221 M N 2.966 122.557 119.600 -0.016 0.000 2.122 221 M HA 0.347 4.827 4.480 -0.001 0.000 0.269 221 M C -0.286 176.028 176.300 0.024 0.000 0.954 221 M CA -0.402 54.905 55.300 0.012 0.000 0.998 221 M CB 1.407 34.001 32.600 -0.011 0.000 1.755 221 M HN 0.343 nan 8.290 nan 0.000 0.459 222 R N 3.506 124.027 120.500 0.035 0.000 2.075 222 R HA 0.307 4.646 4.340 -0.001 0.000 0.226 222 R C -0.241 176.089 176.300 0.049 0.000 1.114 222 R CA 1.929 58.047 56.100 0.030 0.000 0.972 222 R CB 0.378 30.676 30.300 -0.003 0.000 0.869 222 R HN 0.783 nan 8.270 nan 0.000 0.437 223 R N -1.468 119.036 120.500 0.007 0.000 2.634 223 R HA 0.359 4.698 4.340 -0.001 0.000 0.263 223 R C -1.470 174.857 176.300 0.045 0.000 1.060 223 R CA -0.731 55.374 56.100 0.009 0.000 0.898 223 R CB 0.829 31.103 30.300 -0.043 0.000 1.253 223 R HN 0.016 nan 8.270 nan 0.000 0.461 224 M N 1.369 121.007 119.600 0.064 0.000 2.364 224 M HA 0.380 4.859 4.480 -0.001 0.000 0.334 224 M C 0.627 177.027 176.300 0.167 0.000 1.107 224 M CA -0.670 54.679 55.300 0.082 0.000 0.988 224 M CB 2.351 34.927 32.600 -0.041 0.000 1.673 224 M HN 0.970 nan 8.290 nan 0.000 0.441 225 G N 2.180 111.093 108.800 0.188 0.000 3.090 225 G HA2 0.451 4.410 3.960 -0.001 0.000 0.259 225 G HA3 0.451 4.410 3.960 -0.001 0.000 0.259 225 G C 0.402 175.316 174.900 0.024 0.000 0.797 225 G CA 0.410 45.535 45.100 0.041 0.000 2.032 225 G HN 1.090 nan 8.290 nan 0.000 0.614 226 G N -1.310 107.486 108.800 -0.008 0.000 2.712 226 G HA2 0.392 4.352 3.960 -0.001 0.000 0.686 226 G HA3 0.392 4.352 3.960 -0.001 0.000 0.686 226 G C 0.500 175.319 174.900 -0.135 0.000 1.181 226 G CA -0.220 44.850 45.100 -0.050 0.000 0.762 226 G HN 1.348 nan 8.290 nan 0.000 0.641 227 G N -0.657 107.811 108.800 -0.553 0.000 3.083 227 G HA2 0.515 4.475 3.960 -0.001 0.000 0.210 227 G HA3 0.515 4.475 3.960 -0.001 0.000 0.210 227 G C 0.807 175.624 174.900 -0.139 0.000 1.571 227 G CA 0.818 45.767 45.100 -0.252 0.000 0.727 227 G HN 1.812 nan 8.290 nan 0.000 0.988 228 F N 0.901 120.801 119.950 -0.084 0.000 3.093 228 F HA -0.170 4.356 4.527 -0.001 0.000 0.283 228 F C 2.011 177.689 175.800 -0.204 0.000 0.848 228 F CA 1.284 59.184 58.000 -0.167 0.000 1.059 228 F CB -1.536 37.285 39.000 -0.299 0.000 1.191 228 F HN 1.304 nan 8.300 nan 0.000 0.514 229 G N -1.255 107.513 108.800 -0.053 0.000 2.313 229 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.215 229 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.215 229 G C 1.191 176.036 174.900 -0.091 0.000 1.023 229 G CA 0.080 45.199 45.100 0.032 0.000 0.626 229 G HN 1.209 nan 8.290 nan 0.000 0.503 230 G N 0.186 108.679 108.800 -0.511 0.000 2.586 230 G HA2 0.128 4.087 3.960 -0.001 0.000 0.215 230 G HA3 0.128 4.087 3.960 -0.001 0.000 0.215 230 G C 1.161 175.880 174.900 -0.302 0.000 1.128 230 G CA 1.498 46.045 45.100 -0.921 0.000 0.774 230 G HN 0.537 nan 8.290 nan 0.000 0.543 231 K N -0.430 119.847 120.400 -0.205 0.000 2.478 231 K HA 0.173 4.493 4.320 -0.001 0.000 0.205 231 K C 1.380 177.951 176.600 -0.048 0.000 1.033 231 K CA -0.115 56.081 56.287 -0.151 0.000 1.091 231 K CB 0.681 33.052 32.500 -0.216 0.000 0.844 231 K HN 0.319 nan 8.250 nan 0.000 0.507 232 E N 0.728 120.926 120.200 -0.003 0.000 2.347 232 E HA -0.134 4.216 4.350 -0.001 0.000 0.196 232 E C 1.186 177.861 176.600 0.125 0.000 1.008 232 E CA 1.541 57.982 56.400 0.068 0.000 0.852 232 E CB 0.359 30.122 29.700 0.105 0.000 0.783 232 E HN 0.236 nan 8.360 nan 0.000 0.505 233 S N -1.661 114.092 115.700 0.089 0.000 2.462 233 S HA -0.024 4.446 4.470 -0.001 0.000 0.269 233 S C 0.911 175.577 174.600 0.110 0.000 1.005 233 S CA -0.608 57.654 58.200 0.103 0.000 1.260 233 S CB -0.247 63.021 63.200 0.113 0.000 0.990 233 S HN 0.150 nan 8.310 nan 0.000 0.477 234 Q N 2.022 121.874 119.800 0.086 0.000 2.362 234 Q HA 0.275 4.615 4.340 -0.001 0.000 0.215 234 Q C 1.328 177.376 176.000 0.081 0.000 0.944 234 Q CA 0.762 56.623 55.803 0.098 0.000 0.964 234 Q CB -0.535 28.236 28.738 0.055 0.000 0.998 234 Q HN 0.715 nan 8.270 nan 0.000 0.488 235 G N 1.078 109.913 108.800 0.058 0.000 2.595 235 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.213 235 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.213 235 G C 1.195 176.153 174.900 0.097 0.000 1.141 235 G CA -0.020 45.091 45.100 0.018 0.000 0.806 235 G HN 0.405 nan 8.290 nan 0.000 0.530 236 N N 0.554 119.347 118.700 0.155 0.000 2.049 236 N HA -0.233 4.507 4.740 -0.001 0.000 0.198 236 N C 1.898 177.534 175.510 0.210 0.000 1.030 236 N CA 1.684 54.816 53.050 0.137 0.000 0.870 236 N CB -0.284 38.261 38.487 0.096 0.000 1.045 236 N HN 0.344 nan 8.380 nan 0.000 0.434 237 H N 0.503 119.658 119.070 0.141 0.000 2.352 237 H HA -0.069 4.486 4.556 -0.001 0.000 0.299 237 H C 2.093 177.571 175.328 0.249 0.000 1.097 237 H CA 0.921 57.118 56.048 0.249 0.000 1.311 237 H CB -0.648 29.348 29.762 0.390 0.000 1.377 237 H HN 0.165 nan 8.280 nan 0.000 0.504 238 L N 0.125 121.507 121.223 0.264 0.000 2.046 238 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 238 L C 2.693 179.569 176.870 0.009 0.000 1.077 238 L CA 1.526 56.385 54.840 0.032 0.000 0.747 238 L CB -0.700 41.243 42.059 -0.194 0.000 0.896 238 L HN 0.338 nan 8.230 nan 0.000 0.432 239 A N -0.284 122.545 122.820 0.016 0.000 1.898 239 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 239 A C 2.310 179.894 177.584 0.001 0.000 1.181 239 A CA 1.489 53.517 52.037 -0.016 0.000 0.620 239 A CB -0.704 18.277 19.000 -0.032 0.000 0.819 239 A HN 0.341 nan 8.150 nan 0.000 0.442 240 I N -0.199 120.396 120.570 0.041 0.000 2.179 240 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 240 I C 2.978 179.110 176.117 0.025 0.000 1.088 240 I CA 1.134 62.454 61.300 0.034 0.000 1.357 240 I CB -0.279 37.750 38.000 0.048 0.000 1.051 240 I HN 0.349 nan 8.210 nan 0.000 0.409 241 A N -0.407 122.460 122.820 0.078 0.000 1.933 241 A HA -0.250 4.069 4.320 -0.001 0.000 0.218 241 A C 2.439 179.985 177.584 -0.064 0.000 1.175 241 A CA 1.893 53.954 52.037 0.041 0.000 0.628 241 A CB -1.275 17.794 19.000 0.114 0.000 0.814 241 A HN 0.553 nan 8.150 nan 0.000 0.444 242 C N -1.293 117.974 119.300 -0.055 0.000 2.446 242 C HA 0.085 4.545 4.460 -0.001 0.000 0.277 242 C C 3.347 178.293 174.990 -0.074 0.000 1.275 242 C CA 0.801 59.773 59.018 -0.077 0.000 1.727 242 C CB -1.244 26.452 27.740 -0.074 0.000 2.010 242 C HN 0.707 nan 8.230 nan 0.000 0.486 243 A N 0.083 122.870 122.820 -0.055 0.000 1.877 243 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 243 A C 2.282 179.828 177.584 -0.062 0.000 1.186 243 A CA 2.170 54.178 52.037 -0.047 0.000 0.620 243 A CB -0.921 18.059 19.000 -0.034 0.000 0.822 243 A HN 0.335 nan 8.150 nan 0.000 0.443 244 V N 0.020 119.884 119.914 -0.084 0.000 2.231 244 V HA -0.349 3.771 4.120 -0.001 0.000 0.250 244 V C 3.092 179.040 176.094 -0.243 0.000 1.058 244 V CA 2.364 64.579 62.300 -0.141 0.000 1.022 244 V CB -1.353 30.363 31.823 -0.179 0.000 0.640 244 V HN 0.646 nan 8.190 nan 0.000 0.445 245 A N -0.459 122.141 122.820 -0.366 0.000 1.986 245 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 245 A C 2.371 179.921 177.584 -0.056 0.000 1.171 245 A CA 2.409 54.252 52.037 -0.323 0.000 0.640 245 A CB -0.761 18.128 19.000 -0.185 0.000 0.811 245 A HN 0.647 nan 8.150 nan 0.000 0.451 246 A N -0.290 122.498 122.820 -0.054 0.000 1.855 246 A HA -0.129 4.191 4.320 -0.001 0.000 0.215 246 A C 2.183 179.775 177.584 0.014 0.000 1.191 246 A CA 1.738 53.770 52.037 -0.009 0.000 0.613 246 A CB -0.560 18.428 19.000 -0.019 0.000 0.829 246 A HN 0.544 nan 8.150 nan 0.000 0.442 247 R N -0.350 120.153 120.500 0.004 0.000 2.153 247 R HA -0.219 4.121 4.340 -0.001 0.000 0.252 247 R C 2.070 178.408 176.300 0.063 0.000 1.158 247 R CA 1.937 58.056 56.100 0.032 0.000 0.975 247 R CB -0.365 29.958 30.300 0.038 0.000 0.871 247 R HN 0.486 nan 8.270 nan 0.000 0.450 248 A N -0.694 122.178 122.820 0.086 0.000 1.861 248 A HA -0.063 4.256 4.320 -0.001 0.000 0.212 248 A C 2.134 179.807 177.584 0.148 0.000 1.199 248 A CA 1.422 53.555 52.037 0.160 0.000 0.613 248 A CB -0.704 18.490 19.000 0.322 0.000 0.846 248 A HN 0.568 nan 8.150 nan 0.000 0.446 249 T N -3.772 110.874 114.554 0.154 0.000 3.055 249 T HA 0.344 4.694 4.350 -0.001 0.000 0.265 249 T C 1.510 176.258 174.700 0.080 0.000 1.111 249 T CA 1.241 63.416 62.100 0.124 0.000 1.118 249 T CB -0.065 68.878 68.868 0.125 0.000 0.909 249 T HN 1.706 nan 8.240 nan 0.000 0.501 250 G N 2.136 110.975 108.800 0.066 0.000 2.176 250 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.253 250 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.253 250 G C 0.108 175.031 174.900 0.038 0.000 0.979 250 G CA 0.110 45.238 45.100 0.047 0.000 0.641 250 G HN 0.959 nan 8.290 nan 0.000 0.530 251 R N -0.931 119.593 120.500 0.039 0.000 2.836 251 R HA 0.708 5.048 4.340 -0.001 0.000 0.269 251 R C -3.255 173.053 176.300 0.013 0.000 1.010 251 R CA -2.304 53.812 56.100 0.027 0.000 0.930 251 R CB 0.708 31.027 30.300 0.032 0.000 1.218 251 R HN 0.037 nan 8.270 nan 0.000 0.473 252 P HA 0.031 nan 4.420 nan 0.000 0.266 252 P C -0.705 176.571 177.300 -0.040 0.000 1.195 252 P CA -0.382 62.708 63.100 -0.017 0.000 0.768 252 P CB 0.423 32.111 31.700 -0.021 0.000 0.838 253 C N 3.524 122.788 119.300 -0.060 0.000 2.431 253 C HA 0.478 4.938 4.460 -0.001 0.000 0.321 253 C C 0.231 175.142 174.990 -0.132 0.000 1.202 253 C CA -0.436 58.527 59.018 -0.091 0.000 1.398 253 C CB 1.227 28.933 27.740 -0.056 0.000 2.047 253 C HN 0.560 nan 8.230 nan 0.000 0.465 254 K N 3.034 123.299 120.400 -0.225 0.000 2.185 254 K HA 0.836 5.155 4.320 -0.001 0.000 0.240 254 K C -1.131 175.374 176.600 -0.159 0.000 0.983 254 K CA -0.513 55.647 56.287 -0.211 0.000 0.873 254 K CB 1.663 33.974 32.500 -0.316 0.000 1.118 254 K HN 0.825 nan 8.250 nan 0.000 0.441 255 M N 3.115 122.636 119.600 -0.132 0.000 2.325 255 M HA 0.314 4.793 4.480 -0.001 0.000 0.285 255 M C -1.937 174.277 176.300 -0.144 0.000 1.119 255 M CA -0.566 54.668 55.300 -0.111 0.000 0.959 255 M CB 1.865 34.361 32.600 -0.173 0.000 1.737 255 M HN 0.829 nan 8.290 nan 0.000 0.486 256 R N 2.913 123.377 120.500 -0.059 0.000 2.740 256 R HA 0.554 4.893 4.340 -0.001 0.000 0.273 256 R C -2.266 174.092 176.300 0.097 0.000 0.998 256 R CA -0.791 55.251 56.100 -0.098 0.000 0.900 256 R CB 1.555 31.796 30.300 -0.098 0.000 1.223 256 R HN 0.714 nan 8.270 nan 0.000 0.466 257 Y N 0.637 120.986 120.300 0.082 0.000 2.328 257 Y HA 0.146 4.696 4.550 -0.001 0.000 0.337 257 Y C 0.183 176.163 175.900 0.134 0.000 1.008 257 Y CA -0.950 57.221 58.100 0.118 0.000 1.129 257 Y CB 1.798 40.324 38.460 0.109 0.000 1.185 257 Y HN 0.725 nan 8.280 nan 0.000 0.476 258 D N 2.003 122.601 120.400 0.330 0.000 2.472 258 D HA -0.041 4.599 4.640 -0.001 0.000 0.237 258 D C 1.344 177.741 176.300 0.161 0.000 1.141 258 D CA 0.130 54.261 54.000 0.218 0.000 0.875 258 D CB 0.964 41.851 40.800 0.144 0.000 1.192 258 D HN 0.491 nan 8.370 nan 0.000 0.450 259 R N 2.225 122.797 120.500 0.122 0.000 2.113 259 R HA -0.206 4.134 4.340 -0.001 0.000 0.244 259 R C 1.113 177.460 176.300 0.079 0.000 1.142 259 R CA 2.216 58.378 56.100 0.104 0.000 0.953 259 R CB -0.342 30.013 30.300 0.091 0.000 0.860 259 R HN 0.619 nan 8.270 nan 0.000 0.438 260 D N -0.150 120.273 120.400 0.037 0.000 2.087 260 D HA -0.152 4.488 4.640 -0.001 0.000 0.192 260 D C 1.470 177.795 176.300 0.042 0.000 0.993 260 D CA 1.820 55.812 54.000 -0.014 0.000 0.828 260 D CB -0.314 40.441 40.800 -0.075 0.000 0.968 260 D HN 0.263 nan 8.370 nan 0.000 0.448 261 D N 0.393 120.812 120.400 0.032 0.000 2.126 261 D HA -0.193 4.446 4.640 -0.001 0.000 0.190 261 D C 1.680 177.910 176.300 -0.117 0.000 1.001 261 D CA 0.993 54.969 54.000 -0.040 0.000 0.841 261 D CB -0.563 40.188 40.800 -0.081 0.000 0.949 261 D HN 0.209 nan 8.370 nan 0.000 0.446 262 D N -0.008 120.365 120.400 -0.045 0.000 2.157 262 D HA -0.185 4.455 4.640 -0.001 0.000 0.191 262 D C 2.017 178.353 176.300 0.059 0.000 1.004 262 D CA 1.142 55.170 54.000 0.048 0.000 0.854 262 D CB -0.063 40.895 40.800 0.263 0.000 0.936 262 D HN 0.220 nan 8.370 nan 0.000 0.446 263 M N -0.209 119.431 119.600 0.067 0.000 2.319 263 M HA -0.086 4.394 4.480 -0.001 0.000 0.265 263 M C 2.352 178.692 176.300 0.066 0.000 1.068 263 M CA 0.390 55.725 55.300 0.057 0.000 1.118 263 M CB 0.135 32.765 32.600 0.050 0.000 1.395 263 M HN -0.062 nan 8.290 nan 0.000 0.435 264 V N 0.580 120.545 119.914 0.085 0.000 2.407 264 V HA -0.167 3.953 4.120 -0.001 0.000 0.245 264 V C 2.089 178.275 176.094 0.153 0.000 1.041 264 V CA 1.440 63.814 62.300 0.124 0.000 1.040 264 V CB -0.160 31.743 31.823 0.133 0.000 0.671 264 V HN 0.390 nan 8.190 nan 0.000 0.455 265 I N -0.142 120.475 120.570 0.080 0.000 2.703 265 I HA -0.015 4.154 4.170 -0.001 0.000 0.259 265 I C 1.438 177.601 176.117 0.077 0.000 1.151 265 I CA 0.798 62.168 61.300 0.118 0.000 1.470 265 I CB -0.198 37.756 38.000 -0.077 0.000 1.112 265 I HN 0.436 nan 8.210 nan 0.000 0.437 266 T N -1.059 113.534 114.554 0.065 0.000 2.862 266 T HA 0.566 4.915 4.350 -0.001 0.000 0.276 266 T C 0.459 175.213 174.700 0.089 0.000 0.974 266 T CA -0.488 61.668 62.100 0.094 0.000 0.966 266 T CB 1.596 70.580 68.868 0.193 0.000 1.072 266 T HN 0.147 nan 8.240 nan 0.000 0.538 267 G N 0.159 109.024 108.800 0.108 0.000 2.588 267 G HA2 0.590 4.550 3.960 -0.001 0.000 0.281 267 G HA3 0.590 4.550 3.960 -0.001 0.000 0.281 267 G C -0.797 174.219 174.900 0.194 0.000 1.236 267 G CA -0.801 44.359 45.100 0.101 0.000 0.969 267 G HN 0.810 nan 8.290 nan 0.000 0.504 268 K N -1.434 119.041 120.400 0.126 0.000 2.213 268 K HA 0.475 4.794 4.320 -0.001 0.000 0.254 268 K C -0.012 176.634 176.600 0.076 0.000 1.062 268 K CA -0.919 55.438 56.287 0.118 0.000 0.884 268 K CB 1.168 33.696 32.500 0.046 0.000 1.437 268 K HN 0.460 nan 8.250 nan 0.000 0.464 269 R N 0.874 121.384 120.500 0.017 0.000 2.679 269 R HA 0.059 4.399 4.340 -0.001 0.000 0.268 269 R C -0.707 175.635 176.300 0.070 0.000 1.044 269 R CA -0.027 56.079 56.100 0.010 0.000 1.105 269 R CB 0.145 30.279 30.300 -0.278 0.000 0.989 269 R HN 0.511 nan 8.270 nan 0.000 0.447 270 H N 2.627 121.747 119.070 0.083 0.000 3.017 270 H HA -0.004 4.551 4.556 -0.001 0.000 0.276 270 H C -0.315 175.174 175.328 0.268 0.000 1.062 270 H CA 0.383 56.511 56.048 0.133 0.000 1.486 270 H CB 0.201 30.053 29.762 0.150 0.000 1.507 270 H HN 0.504 nan 8.280 nan 0.000 0.508 271 D N 3.426 123.982 120.400 0.261 0.000 2.372 271 D HA 0.081 4.720 4.640 -0.001 0.000 0.243 271 D C -0.181 176.295 176.300 0.293 0.000 1.121 271 D CA 0.056 54.230 54.000 0.291 0.000 0.898 271 D CB 1.054 41.971 40.800 0.196 0.000 1.202 271 D HN 0.299 nan 8.370 nan 0.000 0.428 272 F N -0.499 119.453 119.950 0.004 0.000 2.631 272 F HA 0.450 4.977 4.527 -0.001 0.000 0.328 272 F C 0.577 176.323 175.800 -0.091 0.000 1.067 272 F CA -1.366 56.607 58.000 -0.044 0.000 0.969 272 F CB 2.494 41.425 39.000 -0.116 0.000 1.332 272 F HN 0.190 nan 8.300 nan 0.000 0.490 273 R N 1.878 122.454 120.500 0.127 0.000 2.561 273 R HA 0.739 5.079 4.340 -0.001 0.000 0.297 273 R C -2.007 174.370 176.300 0.128 0.000 0.969 273 R CA -0.410 55.716 56.100 0.043 0.000 0.879 273 R CB 1.472 31.798 30.300 0.043 0.000 1.178 273 R HN 0.711 nan 8.270 nan 0.000 0.445 274 I N 3.208 123.824 120.570 0.076 0.000 2.545 274 I HA 0.452 4.622 4.170 -0.001 0.000 0.292 274 I C -0.600 175.751 176.117 0.390 0.000 1.040 274 I CA -0.856 60.632 61.300 0.314 0.000 1.068 274 I CB 2.154 40.353 38.000 0.331 0.000 1.251 274 I HN 0.544 nan 8.210 nan 0.000 0.424 275 R N 6.137 126.871 120.500 0.389 0.000 2.439 275 R HA 0.536 4.875 4.340 -0.001 0.000 0.310 275 R C -1.841 174.612 176.300 0.254 0.000 0.955 275 R CA -0.489 55.736 56.100 0.208 0.000 0.853 275 R CB 1.210 31.586 30.300 0.126 0.000 1.171 275 R HN 0.577 nan 8.270 nan 0.000 0.449 276 Y N 0.316 120.723 120.300 0.178 0.000 2.570 276 Y HA 0.663 5.212 4.550 -0.001 0.000 0.345 276 Y C -1.070 174.754 175.900 -0.128 0.000 1.014 276 Y CA -1.426 56.648 58.100 -0.043 0.000 1.063 276 Y CB 1.571 39.989 38.460 -0.070 0.000 1.272 276 Y HN 0.371 nan 8.280 nan 0.000 0.477 277 R N 2.953 123.432 120.500 -0.035 0.000 2.483 277 R HA 0.611 4.951 4.340 -0.001 0.000 0.303 277 R C -1.667 174.562 176.300 -0.118 0.000 0.987 277 R CA -0.600 55.469 56.100 -0.051 0.000 0.881 277 R CB 2.252 32.496 30.300 -0.092 0.000 1.177 277 R HN 0.935 nan 8.270 nan 0.000 0.451 278 I N 0.811 121.330 120.570 -0.086 0.000 2.740 278 I HA 0.799 4.969 4.170 -0.001 0.000 0.303 278 I C -0.728 175.318 176.117 -0.119 0.000 1.044 278 I CA -0.566 60.641 61.300 -0.156 0.000 1.064 278 I CB 2.202 40.082 38.000 -0.200 0.000 1.249 278 I HN 0.684 nan 8.210 nan 0.000 0.433 279 G N 4.738 113.475 108.800 -0.105 0.000 2.719 279 G HA2 0.781 4.740 3.960 -0.001 0.000 0.298 279 G HA3 0.781 4.740 3.960 -0.001 0.000 0.298 279 G C -1.818 173.050 174.900 -0.053 0.000 1.411 279 G CA -0.285 44.774 45.100 -0.069 0.000 0.991 279 G HN 0.910 nan 8.290 nan 0.000 0.509 280 A N 1.290 124.102 122.820 -0.014 0.000 2.486 280 A HA 0.830 5.150 4.320 -0.001 0.000 0.289 280 A C -0.286 177.331 177.584 0.054 0.000 1.176 280 A CA -0.555 51.478 52.037 -0.006 0.000 0.757 280 A CB 1.307 20.281 19.000 -0.043 0.000 1.337 280 A HN 0.701 nan 8.150 nan 0.000 0.423 281 D N -0.692 119.731 120.400 0.038 0.000 2.349 281 D HA 0.386 5.025 4.640 -0.001 0.000 0.239 281 D C 1.394 177.764 176.300 0.116 0.000 1.315 281 D CA 1.093 55.125 54.000 0.053 0.000 0.937 281 D CB 0.571 41.386 40.800 0.024 0.000 1.133 281 D HN 0.566 nan 8.370 nan 0.000 0.489 282 A N -0.207 122.670 122.820 0.095 0.000 1.930 282 A HA -0.061 4.258 4.320 -0.001 0.000 0.215 282 A C 2.018 179.631 177.584 0.048 0.000 1.176 282 A CA 1.552 53.664 52.037 0.126 0.000 0.632 282 A CB -0.741 18.308 19.000 0.082 0.000 0.819 282 A HN 0.505 nan 8.150 nan 0.000 0.445 283 S N -2.014 113.698 115.700 0.020 0.000 2.481 283 S HA 0.335 4.804 4.470 -0.001 0.000 0.231 283 S C 1.461 176.039 174.600 -0.038 0.000 0.996 283 S CA 1.272 59.468 58.200 -0.006 0.000 0.942 283 S CB -0.089 63.111 63.200 0.001 0.000 0.768 283 S HN 1.816 nan 8.310 nan 0.000 0.520 284 G N 0.499 109.270 108.800 -0.048 0.000 2.211 284 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.201 284 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.201 284 G C -0.090 174.770 174.900 -0.067 0.000 0.997 284 G CA -0.357 44.691 45.100 -0.087 0.000 0.652 284 G HN 0.382 nan 8.290 nan 0.000 0.500 285 K N 1.333 121.716 120.400 -0.029 0.000 2.416 285 K HA 0.324 4.643 4.320 -0.001 0.000 0.283 285 K C 1.186 177.770 176.600 -0.027 0.000 1.037 285 K CA -0.215 56.066 56.287 -0.011 0.000 0.995 285 K CB 0.732 33.250 32.500 0.029 0.000 0.938 285 K HN 0.408 nan 8.250 nan 0.000 0.475 286 L N 3.969 125.162 121.223 -0.050 0.000 2.514 286 L HA -0.104 4.236 4.340 -0.001 0.000 0.280 286 L C 1.678 178.509 176.870 -0.065 0.000 1.223 286 L CA 0.097 54.890 54.840 -0.078 0.000 0.864 286 L CB 0.028 42.022 42.059 -0.107 0.000 1.118 286 L HN 0.527 nan 8.230 nan 0.000 0.494 287 L N 2.046 123.231 121.223 -0.065 0.000 2.425 287 L HA 0.374 4.714 4.340 -0.001 0.000 0.215 287 L C 0.848 177.674 176.870 -0.074 0.000 1.065 287 L CA 0.402 55.210 54.840 -0.053 0.000 0.842 287 L CB 0.317 42.356 42.059 -0.033 0.000 1.033 287 L HN 0.809 nan 8.230 nan 0.000 0.474 288 G N -0.906 107.842 108.800 -0.086 0.000 2.387 288 G HA2 0.625 4.585 3.960 -0.001 0.000 0.294 288 G HA3 0.625 4.585 3.960 -0.001 0.000 0.294 288 G C -2.184 172.656 174.900 -0.101 0.000 1.509 288 G CA 0.087 45.137 45.100 -0.084 0.000 0.806 288 G HN 0.057 nan 8.290 nan 0.000 0.546 289 A N 0.111 122.871 122.820 -0.101 0.000 2.520 289 A HA 0.775 5.095 4.320 -0.001 0.000 0.298 289 A C -1.945 175.506 177.584 -0.221 0.000 1.051 289 A CA -0.445 51.464 52.037 -0.214 0.000 0.690 289 A CB 2.382 21.257 19.000 -0.208 0.000 1.281 289 A HN 0.863 nan 8.150 nan 0.000 0.402 290 D N 0.942 121.139 120.400 -0.337 0.000 2.696 290 D HA 0.677 5.316 4.640 -0.001 0.000 0.251 290 D C -1.571 174.591 176.300 -0.231 0.000 1.188 290 D CA 0.034 53.939 54.000 -0.159 0.000 0.876 290 D CB 0.655 41.410 40.800 -0.075 0.000 1.334 290 D HN 0.247 nan 8.370 nan 0.000 0.540 291 F N 2.237 122.213 119.950 0.042 0.000 2.520 291 F HA 0.591 5.118 4.527 -0.001 0.000 0.322 291 F C -0.163 175.635 175.800 -0.004 0.000 1.103 291 F CA -0.996 57.039 58.000 0.059 0.000 0.926 291 F CB 2.199 41.190 39.000 -0.014 0.000 1.154 291 F HN -0.001 nan 8.300 nan 0.000 0.453 292 V N 2.606 122.701 119.914 0.301 0.000 2.531 292 V HA 0.337 4.457 4.120 -0.001 0.000 0.301 292 V C -0.846 175.453 176.094 0.342 0.000 1.034 292 V CA -0.725 61.706 62.300 0.218 0.000 0.865 292 V CB 1.797 33.747 31.823 0.212 0.000 0.995 292 V HN 0.732 nan 8.190 nan 0.000 0.424 293 H N 5.273 124.492 119.070 0.248 0.000 2.504 293 H HA 0.604 5.159 4.556 -0.001 0.000 0.322 293 H C -0.833 174.595 175.328 0.167 0.000 1.055 293 H CA -0.760 55.447 56.048 0.266 0.000 1.231 293 H CB 1.563 31.511 29.762 0.310 0.000 1.417 293 H HN 0.407 nan 8.280 nan 0.000 0.472 294 L N 2.860 124.203 121.223 0.200 0.000 2.322 294 L HA 0.668 5.008 4.340 -0.001 0.000 0.281 294 L C -0.265 176.445 176.870 -0.266 0.000 1.014 294 L CA -0.808 54.044 54.840 0.019 0.000 0.815 294 L CB 1.589 43.648 42.059 0.001 0.000 1.247 294 L HN 0.598 nan 8.230 nan 0.000 0.421 295 A N 3.404 125.993 122.820 -0.384 0.000 2.374 295 A HA 0.582 4.901 4.320 -0.001 0.000 0.305 295 A C -0.780 176.652 177.584 -0.254 0.000 1.053 295 A CA -0.691 50.938 52.037 -0.682 0.000 0.726 295 A CB 1.639 19.965 19.000 -1.124 0.000 1.229 295 A HN 0.665 nan 8.150 nan 0.000 0.431 296 R N 2.407 122.802 120.500 -0.174 0.000 2.248 296 R HA 0.271 4.611 4.340 -0.001 0.000 0.337 296 R C -0.232 176.045 176.300 -0.039 0.000 1.106 296 R CA -0.071 55.977 56.100 -0.087 0.000 0.959 296 R CB 0.225 30.465 30.300 -0.100 0.000 1.075 296 R HN 0.858 nan 8.270 nan 0.000 0.480 297 C N 2.047 121.372 119.300 0.042 0.000 2.780 297 C HA 0.348 4.808 4.460 -0.001 0.000 0.267 297 C C 1.189 176.169 174.990 -0.017 0.000 1.266 297 C CA 0.312 59.366 59.018 0.060 0.000 1.709 297 C CB -0.795 27.087 27.740 0.237 0.000 1.975 297 C HN 1.016 nan 8.230 nan 0.000 0.582 298 G N 0.777 109.590 108.800 0.021 0.000 2.610 298 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.304 298 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.304 298 G C 0.138 175.171 174.900 0.221 0.000 1.309 298 G CA -0.018 45.113 45.100 0.051 0.000 0.906 298 G HN 0.602 nan 8.290 nan 0.000 0.521 299 W N 0.615 121.940 121.300 0.041 0.000 3.180 299 W HA 0.495 5.155 4.660 -0.001 0.000 0.254 299 W C 0.596 177.242 176.519 0.212 0.000 1.318 299 W CA 0.992 58.421 57.345 0.139 0.000 1.608 299 W CB -1.190 28.389 29.460 0.199 0.000 1.124 299 W HN 1.499 nan 8.180 nan 0.000 0.694 300 S N -1.040 114.482 115.700 -0.296 0.000 2.656 300 S HA 0.655 5.125 4.470 -0.001 0.000 0.273 300 S C 0.680 175.005 174.600 -0.459 0.000 1.168 300 S CA -0.057 57.932 58.200 -0.351 0.000 0.817 300 S CB 1.317 63.895 63.200 -1.037 0.000 1.146 300 S HN 0.059 nan 8.310 nan 0.000 0.475 301 A N 0.950 123.402 122.820 -0.614 0.000 1.930 301 A HA 0.123 4.443 4.320 -0.001 0.000 0.217 301 A C 1.143 178.446 177.584 -0.468 0.000 1.175 301 A CA 1.986 53.493 52.037 -0.882 0.000 0.627 301 A CB -1.912 16.707 19.000 -0.635 0.000 0.815 301 A HN 1.255 nan 8.150 nan 0.000 0.443 302 D N -1.413 118.800 120.400 -0.311 0.000 3.541 302 D HA -0.261 4.379 4.640 -0.001 0.000 0.160 302 D C 0.383 176.627 176.300 -0.093 0.000 0.995 302 D CA 2.456 56.364 54.000 -0.153 0.000 0.931 302 D CB -0.839 39.900 40.800 -0.101 0.000 0.465 302 D HN 0.206 nan 8.370 nan 0.000 0.432 303 L N 0.296 121.512 121.223 -0.013 0.000 2.791 303 L HA 0.255 4.594 4.340 -0.001 0.000 0.239 303 L C 1.850 178.661 176.870 -0.099 0.000 1.203 303 L CA -0.111 54.734 54.840 0.009 0.000 1.002 303 L CB 0.101 42.243 42.059 0.139 0.000 1.295 303 L HN 0.153 nan 8.230 nan 0.000 0.504 304 S N 0.798 116.427 115.700 -0.120 0.000 2.374 304 S HA -0.244 4.226 4.470 -0.001 0.000 0.227 304 S C 1.906 176.383 174.600 -0.205 0.000 1.037 304 S CA 1.536 59.609 58.200 -0.213 0.000 1.024 304 S CB -0.179 62.957 63.200 -0.107 0.000 0.861 304 S HN 0.488 nan 8.310 nan 0.000 0.456 305 L N 1.937 123.084 121.223 -0.126 0.000 1.971 305 L HA -0.115 4.224 4.340 -0.001 0.000 0.215 305 L C -1.060 175.824 176.870 0.025 0.000 1.072 305 L CA 1.781 56.595 54.840 -0.043 0.000 0.758 305 L CB -1.126 40.925 42.059 -0.012 0.000 0.889 305 L HN 0.238 nan 8.230 nan 0.000 0.433 306 P HA -0.093 nan 4.420 nan 0.000 0.217 306 P C 1.914 179.287 177.300 0.123 0.000 1.151 306 P CA 0.983 64.235 63.100 0.254 0.000 0.828 306 P CB 0.071 32.071 31.700 0.500 0.000 0.788 307 V N -0.237 119.511 119.914 -0.277 0.000 2.237 307 V HA -0.289 3.831 4.120 -0.001 0.000 0.245 307 V C 2.568 178.553 176.094 -0.181 0.000 1.046 307 V CA 2.147 64.117 62.300 -0.551 0.000 1.007 307 V CB -1.507 29.804 31.823 -0.853 0.000 0.638 307 V HN 0.182 nan 8.190 nan 0.000 0.445 308 C N 0.089 119.299 119.300 -0.150 0.000 2.401 308 C HA -0.207 4.253 4.460 -0.001 0.000 0.276 308 C C 2.525 177.550 174.990 0.059 0.000 1.233 308 C CA 1.070 60.099 59.018 0.019 0.000 1.753 308 C CB -1.254 26.467 27.740 -0.032 0.000 2.029 308 C HN 0.625 nan 8.230 nan 0.000 0.478 309 D N 0.005 120.449 120.400 0.074 0.000 2.170 309 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 309 D C 2.257 178.688 176.300 0.218 0.000 1.004 309 D CA 1.357 55.471 54.000 0.190 0.000 0.860 309 D CB -0.499 40.514 40.800 0.354 0.000 0.931 309 D HN 0.530 nan 8.370 nan 0.000 0.448 310 R N 0.150 120.778 120.500 0.213 0.000 2.115 310 R HA -0.004 4.335 4.340 -0.001 0.000 0.230 310 R C 2.048 178.509 176.300 0.268 0.000 1.111 310 R CA 1.200 57.459 56.100 0.266 0.000 0.976 310 R CB -0.046 30.461 30.300 0.345 0.000 0.870 310 R HN 0.136 nan 8.270 nan 0.000 0.445 311 A N 0.854 123.769 122.820 0.158 0.000 1.898 311 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 311 A C 2.175 179.904 177.584 0.242 0.000 1.181 311 A CA 1.301 53.407 52.037 0.115 0.000 0.620 311 A CB -0.375 18.594 19.000 -0.050 0.000 0.819 311 A HN 0.302 nan 8.150 nan 0.000 0.442 312 M N -1.123 118.602 119.600 0.208 0.000 2.108 312 M HA -0.152 4.327 4.480 -0.001 0.000 0.261 312 M C 1.998 178.519 176.300 0.368 0.000 1.066 312 M CA 1.225 56.608 55.300 0.139 0.000 1.107 312 M CB -0.552 31.851 32.600 -0.329 0.000 1.356 312 M HN 0.340 nan 8.290 nan 0.000 0.406 313 L N -0.488 120.939 121.223 0.339 0.000 2.187 313 L HA -0.190 4.149 4.340 -0.001 0.000 0.213 313 L C 1.530 178.463 176.870 0.104 0.000 1.100 313 L CA 2.024 56.961 54.840 0.161 0.000 0.765 313 L CB -0.950 41.053 42.059 -0.094 0.000 0.904 313 L HN 0.319 nan 8.230 nan 0.000 0.437 314 H N -2.419 116.784 119.070 0.221 0.000 2.542 314 H HA 0.363 4.918 4.556 -0.001 0.000 0.283 314 H C 1.788 177.204 175.328 0.147 0.000 1.059 314 H CA 0.506 56.661 56.048 0.179 0.000 1.162 314 H CB 0.298 30.078 29.762 0.030 0.000 1.539 314 H HN 0.213 nan 8.280 nan 0.000 0.543 315 A N 0.798 123.730 122.820 0.186 0.000 2.259 315 A HA -0.144 4.175 4.320 -0.001 0.000 0.212 315 A C 1.414 178.967 177.584 -0.052 0.000 1.178 315 A CA 1.474 53.427 52.037 -0.140 0.000 0.734 315 A CB -0.159 18.610 19.000 -0.384 0.000 0.774 315 A HN 0.518 nan 8.150 nan 0.000 0.481 316 D N -1.680 118.836 120.400 0.192 0.000 2.350 316 D HA 0.267 4.907 4.640 -0.001 0.000 0.213 316 D C 1.248 177.746 176.300 0.331 0.000 1.031 316 D CA 0.807 54.970 54.000 0.272 0.000 0.861 316 D CB -0.815 40.236 40.800 0.419 0.000 0.926 316 D HN 0.518 nan 8.370 nan 0.000 0.520 317 G N 1.116 110.082 108.800 0.277 0.000 2.634 317 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.309 317 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.309 317 G C 0.622 175.571 174.900 0.083 0.000 1.265 317 G CA 0.773 46.013 45.100 0.234 0.000 0.998 317 G HN 0.337 nan 8.290 nan 0.000 0.551 318 S N 0.948 116.444 115.700 -0.340 0.000 2.622 318 S HA 0.484 4.954 4.470 -0.001 0.000 0.236 318 S C -0.540 173.683 174.600 -0.629 0.000 0.956 318 S CA 0.343 58.257 58.200 -0.477 0.000 0.971 318 S CB -0.178 62.662 63.200 -0.600 0.000 0.782 318 S HN 0.462 nan 8.310 nan 0.000 0.468 319 Y N -0.318 120.061 120.300 0.133 0.000 2.570 319 Y HA 0.600 5.150 4.550 -0.001 0.000 0.345 319 Y C -0.380 175.213 175.900 -0.512 0.000 1.014 319 Y CA -2.247 55.782 58.100 -0.119 0.000 1.063 319 Y CB 0.509 38.969 38.460 -0.001 0.000 1.272 319 Y HN 0.120 nan 8.280 nan 0.000 0.477 320 F N 1.690 121.266 119.950 -0.623 0.000 2.384 320 F HA 0.673 5.200 4.527 -0.001 0.000 0.338 320 F C -0.972 174.759 175.800 -0.114 0.000 1.103 320 F CA -0.943 56.735 58.000 -0.536 0.000 1.157 320 F CB 0.691 39.477 39.000 -0.356 0.000 1.167 320 F HN 0.178 nan 8.300 nan 0.000 0.529 321 V N 8.293 127.634 119.914 -0.954 0.000 2.532 321 V HA 0.222 4.341 4.120 -0.001 0.000 0.294 321 V C -1.944 173.692 176.094 -0.764 0.000 1.036 321 V CA -1.122 60.780 62.300 -0.663 0.000 0.876 321 V CB 1.654 33.347 31.823 -0.217 0.000 1.012 321 V HN 0.671 nan 8.190 nan 0.000 0.432 322 P HA 0.013 nan 4.420 nan 0.000 0.218 322 P C 0.247 177.451 177.300 -0.159 0.000 1.149 322 P CA 1.195 64.073 63.100 -0.370 0.000 0.817 322 P CB 0.413 32.028 31.700 -0.140 0.000 0.785 323 A N -0.839 121.906 122.820 -0.125 0.000 2.486 323 A HA 0.753 5.073 4.320 -0.001 0.000 0.300 323 A C -1.620 175.956 177.584 -0.014 0.000 1.048 323 A CA -0.582 51.435 52.037 -0.033 0.000 0.696 323 A CB 1.017 20.009 19.000 -0.014 0.000 1.278 323 A HN 0.091 nan 8.150 nan 0.000 0.405 324 L N 1.474 122.725 121.223 0.047 0.000 2.611 324 L HA 0.705 5.045 4.340 -0.001 0.000 0.260 324 L C -1.052 175.895 176.870 0.129 0.000 0.924 324 L CA -0.438 54.445 54.840 0.073 0.000 0.901 324 L CB 1.758 43.849 42.059 0.052 0.000 1.369 324 L HN 0.923 nan 8.230 nan 0.000 0.415 325 R N 4.253 124.835 120.500 0.136 0.000 2.750 325 R HA 0.834 5.174 4.340 -0.001 0.000 0.281 325 R C -1.750 174.645 176.300 0.158 0.000 0.972 325 R CA -0.545 55.646 56.100 0.151 0.000 0.912 325 R CB 1.969 32.330 30.300 0.100 0.000 1.187 325 R HN 0.672 nan 8.270 nan 0.000 0.464 326 I N 1.584 122.221 120.570 0.112 0.000 2.686 326 I HA 0.294 4.463 4.170 -0.001 0.000 0.295 326 I C -0.988 175.077 176.117 -0.087 0.000 1.114 326 I CA -0.577 60.716 61.300 -0.011 0.000 1.038 326 I CB 2.405 40.327 38.000 -0.131 0.000 1.238 326 I HN 0.595 nan 8.210 nan 0.000 0.420 327 E N 4.153 124.290 120.200 -0.105 0.000 2.216 327 E HA 0.473 4.822 4.350 -0.001 0.000 0.260 327 E C -1.545 174.938 176.600 -0.196 0.000 0.880 327 E CA -0.382 55.931 56.400 -0.146 0.000 0.765 327 E CB 1.704 31.380 29.700 -0.040 0.000 1.174 327 E HN 0.486 nan 8.360 nan 0.000 0.417 328 S N 4.950 120.462 115.700 -0.313 0.000 2.640 328 S HA 0.322 4.792 4.470 -0.001 0.000 0.320 328 S C -1.167 173.288 174.600 -0.241 0.000 1.097 328 S CA -0.677 57.412 58.200 -0.185 0.000 1.092 328 S CB 0.419 63.510 63.200 -0.181 0.000 0.988 328 S HN 0.557 nan 8.310 nan 0.000 0.470 329 H N 4.697 123.760 119.070 -0.013 0.000 2.467 329 H HA 0.426 4.982 4.556 -0.001 0.000 0.326 329 H C -0.129 175.173 175.328 -0.042 0.000 1.094 329 H CA -0.824 55.211 56.048 -0.022 0.000 1.253 329 H CB 1.005 30.756 29.762 -0.019 0.000 1.439 329 H HN 0.506 nan 8.280 nan 0.000 0.479 330 R N 4.013 124.571 120.500 0.096 0.000 2.247 330 R HA 0.325 4.664 4.340 -0.001 0.000 0.329 330 R C -0.285 176.100 176.300 0.141 0.000 1.014 330 R CA -0.592 55.560 56.100 0.086 0.000 0.907 330 R CB 0.631 30.993 30.300 0.103 0.000 1.146 330 R HN 0.454 nan 8.270 nan 0.000 0.499 331 L N 2.634 123.898 121.223 0.068 0.000 2.326 331 L HA 0.450 4.789 4.340 -0.001 0.000 0.278 331 L C 0.867 177.751 176.870 0.024 0.000 1.092 331 L CA -0.647 54.203 54.840 0.017 0.000 0.810 331 L CB 0.813 42.852 42.059 -0.034 0.000 1.153 331 L HN 0.359 nan 8.230 nan 0.000 0.439 332 R N 1.937 122.366 120.500 -0.118 0.000 2.349 332 R HA 0.545 4.885 4.340 -0.001 0.000 0.299 332 R C -0.640 175.622 176.300 -0.063 0.000 1.027 332 R CA -0.128 55.875 56.100 -0.162 0.000 0.958 332 R CB 1.203 31.167 30.300 -0.560 0.000 1.047 332 R HN 0.857 nan 8.270 nan 0.000 0.468 333 T N 0.036 114.599 114.554 0.015 0.000 2.821 333 T HA 0.236 4.586 4.350 -0.001 0.000 0.306 333 T C -0.447 174.287 174.700 0.057 0.000 1.313 333 T CA -1.076 61.017 62.100 -0.012 0.000 1.012 333 T CB 1.253 70.062 68.868 -0.097 0.000 1.298 333 T HN 0.582 nan 8.240 nan 0.000 0.502 334 N N 1.462 120.177 118.700 0.025 0.000 3.091 334 N HA 0.353 5.093 4.740 -0.001 0.000 0.301 334 N C 0.008 175.547 175.510 0.049 0.000 1.325 334 N CA -0.152 52.956 53.050 0.097 0.000 1.143 334 N CB 0.128 38.642 38.487 0.045 0.000 1.450 334 N HN 0.809 nan 8.380 nan 0.000 0.542 335 T N -3.676 110.877 114.554 -0.002 0.000 2.742 335 T HA 0.379 4.729 4.350 -0.001 0.000 0.282 335 T C -0.167 174.454 174.700 -0.131 0.000 1.025 335 T CA -1.035 60.995 62.100 -0.116 0.000 1.020 335 T CB 0.766 69.358 68.868 -0.461 0.000 1.317 335 T HN -0.181 nan 8.240 nan 0.000 0.538 336 Q N 1.431 121.114 119.800 -0.194 0.000 2.310 336 Q HA 0.278 4.618 4.340 -0.001 0.000 0.315 336 Q C 0.249 176.163 176.000 -0.144 0.000 1.081 336 Q CA 0.331 55.941 55.803 -0.321 0.000 0.981 336 Q CB 0.252 28.949 28.738 -0.068 0.000 1.184 336 Q HN 0.679 nan 8.270 nan 0.000 0.389 337 S N 3.750 119.364 115.700 -0.144 0.000 2.503 337 S HA 0.066 4.536 4.470 -0.001 0.000 0.317 337 S C -0.068 174.430 174.600 -0.170 0.000 1.162 337 S CA -0.664 57.410 58.200 -0.209 0.000 1.124 337 S CB -0.342 62.620 63.200 -0.397 0.000 1.207 337 S HN 0.467 nan 8.310 nan 0.000 0.538 338 N N 2.975 121.522 118.700 -0.254 0.000 2.307 338 N HA 0.157 4.896 4.740 -0.001 0.000 0.230 338 N C 0.464 175.870 175.510 -0.172 0.000 1.297 338 N CA 0.314 53.129 53.050 -0.391 0.000 0.884 338 N CB 0.774 38.664 38.487 -0.995 0.000 1.115 338 N HN 0.662 nan 8.380 nan 0.000 0.436 339 T N -1.624 112.959 114.554 0.049 0.000 2.646 339 T HA 0.560 4.910 4.350 -0.001 0.000 0.297 339 T C -1.435 173.421 174.700 0.259 0.000 1.363 339 T CA -0.305 61.923 62.100 0.213 0.000 1.056 339 T CB 0.037 69.009 68.868 0.174 0.000 1.779 339 T HN 0.519 nan 8.240 nan 0.000 0.459 340 A N 0.679 123.654 122.820 0.258 0.000 2.351 340 A HA 0.734 5.054 4.320 -0.001 0.000 0.257 340 A C -0.968 176.889 177.584 0.456 0.000 1.087 340 A CA -0.144 52.079 52.037 0.311 0.000 0.798 340 A CB -0.235 19.027 19.000 0.437 0.000 1.033 340 A HN 0.733 nan 8.150 nan 0.000 0.488 341 F N 0.674 120.744 119.950 0.199 0.000 2.749 341 F HA 0.361 4.888 4.527 -0.001 0.000 0.339 341 F C 0.295 176.032 175.800 -0.104 0.000 1.211 341 F CA -0.814 57.249 58.000 0.105 0.000 1.099 341 F CB 1.158 40.074 39.000 -0.141 0.000 1.359 341 F HN 0.833 nan 8.300 nan 0.000 0.549 342 R N 4.089 124.716 120.500 0.213 0.000 4.360 342 R HA 0.037 4.377 4.340 -0.001 0.000 0.119 342 R C 0.857 176.909 176.300 -0.414 0.000 0.311 342 R CA 2.045 58.130 56.100 -0.025 0.000 0.816 342 R CB -0.699 29.644 30.300 0.072 0.000 1.070 342 R HN 1.194 nan 8.270 nan 0.000 0.227 343 G N 3.465 112.128 108.800 -0.229 0.000 2.905 343 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.196 343 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.196 343 G C 0.178 175.148 174.900 0.117 0.000 1.044 343 G CA -0.190 44.771 45.100 -0.233 0.000 0.778 343 G HN 0.779 nan 8.290 nan 0.000 0.474 344 F N 1.318 121.205 119.950 -0.104 0.000 2.866 344 F HA 0.060 4.587 4.527 -0.001 0.000 0.254 344 F C 1.801 177.564 175.800 -0.062 0.000 1.009 344 F CA 2.593 60.574 58.000 -0.032 0.000 0.907 344 F CB -0.933 38.069 39.000 0.004 0.000 0.859 344 F HN 2.003 nan 8.300 nan 0.000 0.842 345 G N -0.055 108.656 108.800 -0.148 0.000 2.284 345 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.247 345 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.247 345 G C 1.534 176.326 174.900 -0.181 0.000 1.012 345 G CA 0.784 45.775 45.100 -0.181 0.000 0.618 345 G HN 1.547 nan 8.290 nan 0.000 0.521 346 G N 1.810 110.522 108.800 -0.146 0.000 2.459 346 G HA2 0.032 3.992 3.960 -0.001 0.000 0.217 346 G HA3 0.032 3.992 3.960 -0.001 0.000 0.217 346 G C 0.147 174.943 174.900 -0.174 0.000 1.183 346 G CA 2.076 46.984 45.100 -0.319 0.000 0.776 346 G HN 0.554 nan 8.290 nan 0.000 0.552 347 P HA -0.107 nan 4.420 nan 0.000 0.214 347 P C 1.822 179.158 177.300 0.059 0.000 1.163 347 P CA 1.527 64.677 63.100 0.084 0.000 0.883 347 P CB -0.086 31.677 31.700 0.105 0.000 0.788 348 Q N -0.529 119.199 119.800 -0.120 0.000 2.014 348 Q HA -0.137 4.202 4.340 -0.001 0.000 0.207 348 Q C 2.497 178.270 176.000 -0.378 0.000 0.993 348 Q CA 2.238 57.827 55.803 -0.357 0.000 0.850 348 Q CB -1.817 26.268 28.738 -1.089 0.000 0.916 348 Q HN 0.253 nan 8.270 nan 0.000 0.417 349 G N 0.216 108.803 108.800 -0.355 0.000 2.469 349 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.219 349 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.219 349 G C 1.465 176.338 174.900 -0.045 0.000 1.150 349 G CA 1.104 46.099 45.100 -0.174 0.000 0.763 349 G HN 0.468 nan 8.290 nan 0.000 0.561 350 A N 0.004 122.840 122.820 0.027 0.000 1.930 350 A HA 0.216 4.536 4.320 -0.001 0.000 0.215 350 A C 2.295 179.964 177.584 0.141 0.000 1.176 350 A CA 1.464 53.569 52.037 0.114 0.000 0.632 350 A CB -0.329 18.750 19.000 0.131 0.000 0.819 350 A HN 0.396 nan 8.150 nan 0.000 0.445 351 L N 0.454 121.752 121.223 0.124 0.000 2.046 351 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 351 L C 2.351 179.371 176.870 0.250 0.000 1.077 351 L CA 2.198 57.139 54.840 0.169 0.000 0.747 351 L CB -1.453 40.674 42.059 0.113 0.000 0.896 351 L HN 0.325 nan 8.230 nan 0.000 0.432 352 G N -0.099 108.831 108.800 0.217 0.000 2.631 352 G HA2 -0.453 3.507 3.960 -0.001 0.000 0.219 352 G HA3 -0.453 3.507 3.960 -0.001 0.000 0.219 352 G C 1.600 176.724 174.900 0.373 0.000 1.214 352 G CA 1.602 46.914 45.100 0.354 0.000 0.785 352 G HN 0.480 nan 8.290 nan 0.000 0.596 353 M N 0.188 119.929 119.600 0.236 0.000 2.229 353 M HA 0.091 4.571 4.480 -0.001 0.000 0.264 353 M C 2.192 178.634 176.300 0.237 0.000 1.063 353 M CA 1.537 57.063 55.300 0.377 0.000 1.114 353 M CB -0.161 32.658 32.600 0.365 0.000 1.387 353 M HN 0.148 nan 8.290 nan 0.000 0.420 354 E N 0.225 120.561 120.200 0.226 0.000 2.077 354 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 354 E C 2.217 178.851 176.600 0.056 0.000 0.989 354 E CA 0.883 57.392 56.400 0.183 0.000 0.800 354 E CB -0.500 29.322 29.700 0.204 0.000 0.746 354 E HN 0.453 nan 8.360 nan 0.000 0.452 355 R N 0.626 121.137 120.500 0.019 0.000 2.073 355 R HA -0.044 4.295 4.340 -0.001 0.000 0.234 355 R C 2.154 178.295 176.300 -0.265 0.000 1.134 355 R CA 1.325 57.331 56.100 -0.157 0.000 0.952 355 R CB -0.662 29.381 30.300 -0.428 0.000 0.850 355 R HN 0.157 nan 8.270 nan 0.000 0.433 356 A N 0.930 123.512 122.820 -0.397 0.000 1.865 356 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 356 A C 2.384 179.790 177.584 -0.297 0.000 1.191 356 A CA 1.525 53.155 52.037 -0.678 0.000 0.623 356 A CB -0.700 17.928 19.000 -0.619 0.000 0.826 356 A HN 0.354 nan 8.150 nan 0.000 0.444 357 I N -0.723 119.731 120.570 -0.193 0.000 2.264 357 I HA -0.273 3.897 4.170 -0.001 0.000 0.248 357 I C 2.494 178.537 176.117 -0.123 0.000 1.111 357 I CA 2.029 63.212 61.300 -0.195 0.000 1.382 357 I CB -0.087 37.737 38.000 -0.294 0.000 1.060 357 I HN 0.539 nan 8.210 nan 0.000 0.418 358 E N 0.103 120.257 120.200 -0.077 0.000 2.038 358 E HA -0.334 4.016 4.350 -0.001 0.000 0.195 358 E C 2.230 178.860 176.600 0.049 0.000 1.000 358 E CA 1.725 58.112 56.400 -0.021 0.000 0.803 358 E CB -0.234 29.415 29.700 -0.085 0.000 0.750 358 E HN 0.467 nan 8.360 nan 0.000 0.448 359 H N 0.125 119.116 119.070 -0.132 0.000 2.265 359 H HA -0.164 4.391 4.556 -0.001 0.000 0.295 359 H C 2.072 177.256 175.328 -0.242 0.000 1.084 359 H CA 1.805 57.648 56.048 -0.341 0.000 1.261 359 H CB -0.855 28.621 29.762 -0.477 0.000 1.360 359 H HN 0.290 nan 8.280 nan 0.000 0.487 360 L N 0.719 121.871 121.223 -0.118 0.000 2.010 360 L HA -0.232 4.108 4.340 -0.001 0.000 0.219 360 L C 2.613 179.426 176.870 -0.096 0.000 1.077 360 L CA 2.532 57.283 54.840 -0.148 0.000 0.773 360 L CB -1.457 40.506 42.059 -0.161 0.000 0.892 360 L HN 0.368 nan 8.230 nan 0.000 0.436 361 A N -0.811 121.969 122.820 -0.065 0.000 1.883 361 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 361 A C 2.264 179.852 177.584 0.007 0.000 1.186 361 A CA 1.770 53.780 52.037 -0.045 0.000 0.624 361 A CB -0.537 18.449 19.000 -0.023 0.000 0.822 361 A HN 0.466 nan 8.150 nan 0.000 0.444 362 R N -0.451 120.100 120.500 0.085 0.000 2.103 362 R HA -0.142 4.198 4.340 -0.001 0.000 0.242 362 R C 2.350 178.700 176.300 0.083 0.000 1.142 362 R CA 1.367 57.550 56.100 0.139 0.000 0.960 362 R CB -1.851 28.625 30.300 0.294 0.000 0.858 362 R HN 0.550 nan 8.270 nan 0.000 0.439 363 G N 1.879 110.703 108.800 0.040 0.000 2.505 363 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 363 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 363 G C 1.304 176.216 174.900 0.019 0.000 1.145 363 G CA 1.301 46.404 45.100 0.005 0.000 0.761 363 G HN 0.458 nan 8.290 nan 0.000 0.571 364 M N -0.180 119.398 119.600 -0.037 0.000 2.549 364 M HA 0.485 4.964 4.480 -0.001 0.000 0.273 364 M C 1.290 177.561 176.300 -0.048 0.000 1.213 364 M CA 0.245 55.501 55.300 -0.073 0.000 0.976 364 M CB 0.217 32.587 32.600 -0.383 0.000 1.457 364 M HN 0.191 nan 8.290 nan 0.000 0.485 365 G N 2.265 111.061 108.800 -0.007 0.000 2.379 365 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.297 365 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.297 365 G C -0.035 174.854 174.900 -0.019 0.000 1.004 365 G CA 0.373 45.475 45.100 0.003 0.000 0.921 365 G HN 0.643 nan 8.290 nan 0.000 0.511 366 R N -0.424 120.054 120.500 -0.038 0.000 2.643 366 R HA 0.371 4.711 4.340 -0.001 0.000 0.272 366 R C -0.377 175.913 176.300 -0.017 0.000 0.995 366 R CA -0.806 55.268 56.100 -0.044 0.000 1.032 366 R CB 0.705 30.955 30.300 -0.084 0.000 1.126 366 R HN 0.223 nan 8.270 nan 0.000 0.505 367 D N 2.992 123.385 120.400 -0.012 0.000 2.371 367 D HA 0.049 4.689 4.640 -0.001 0.000 0.256 367 D C -1.688 174.623 176.300 0.019 0.000 1.193 367 D CA -1.847 52.160 54.000 0.011 0.000 0.881 367 D CB 1.363 42.169 40.800 0.010 0.000 1.143 367 D HN 0.162 nan 8.370 nan 0.000 0.473 368 P HA -0.218 nan 4.420 nan 0.000 0.216 368 P C 1.079 178.405 177.300 0.043 0.000 1.157 368 P CA 2.290 65.412 63.100 0.037 0.000 0.880 368 P CB 0.001 31.750 31.700 0.080 0.000 0.791 369 A N 0.013 122.897 122.820 0.106 0.000 1.884 369 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 369 A C 2.216 179.826 177.584 0.044 0.000 1.197 369 A CA 2.086 54.201 52.037 0.131 0.000 0.637 369 A CB -1.325 17.838 19.000 0.272 0.000 0.827 369 A HN 0.109 nan 8.150 nan 0.000 0.450 370 E N -0.580 119.635 120.200 0.025 0.000 2.077 370 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 370 E C 1.946 178.496 176.600 -0.083 0.000 0.989 370 E CA 0.994 57.380 56.400 -0.024 0.000 0.800 370 E CB -0.740 28.950 29.700 -0.017 0.000 0.746 370 E HN 0.473 nan 8.360 nan 0.000 0.452 371 L N 1.548 122.722 121.223 -0.081 0.000 1.990 371 L HA -0.230 4.109 4.340 -0.001 0.000 0.213 371 L C 2.272 179.029 176.870 -0.188 0.000 1.072 371 L CA 1.883 56.645 54.840 -0.128 0.000 0.755 371 L CB -0.355 41.627 42.059 -0.128 0.000 0.889 371 L HN 0.023 nan 8.230 nan 0.000 0.432 372 R N -0.780 119.616 120.500 -0.173 0.000 2.075 372 R HA -0.148 4.192 4.340 -0.001 0.000 0.230 372 R C 2.195 178.126 176.300 -0.616 0.000 1.140 372 R CA 1.422 57.404 56.100 -0.197 0.000 0.928 372 R CB -1.142 29.222 30.300 0.106 0.000 0.834 372 R HN 0.488 nan 8.270 nan 0.000 0.429 373 A N 1.778 124.224 122.820 -0.624 0.000 1.944 373 A HA -0.252 4.068 4.320 -0.001 0.000 0.222 373 A C 2.183 179.457 177.584 -0.517 0.000 1.237 373 A CA 1.926 53.532 52.037 -0.718 0.000 0.668 373 A CB -0.790 18.091 19.000 -0.198 0.000 0.830 373 A HN 0.306 nan 8.150 nan 0.000 0.471 374 L N -0.610 120.445 121.223 -0.280 0.000 2.275 374 L HA -0.059 4.281 4.340 -0.001 0.000 0.215 374 L C 1.189 178.001 176.870 -0.097 0.000 1.119 374 L CA 1.679 56.433 54.840 -0.143 0.000 0.790 374 L CB -0.197 41.801 42.059 -0.101 0.000 0.919 374 L HN 0.419 nan 8.230 nan 0.000 0.443 375 N N -1.673 116.953 118.700 -0.123 0.000 2.200 375 N HA 0.133 4.872 4.740 -0.001 0.000 0.224 375 N C -0.102 175.554 175.510 0.244 0.000 1.179 375 N CA -0.111 52.978 53.050 0.066 0.000 0.877 375 N CB 0.370 38.877 38.487 0.034 0.000 1.072 375 N HN 0.204 nan 8.380 nan 0.000 0.519 376 F N 0.579 120.645 119.950 0.194 0.000 2.535 376 F HA 0.049 4.575 4.527 -0.001 0.000 0.332 376 F C 0.959 176.786 175.800 0.046 0.000 1.208 376 F CA -0.644 57.407 58.000 0.085 0.000 1.330 376 F CB 0.375 39.406 39.000 0.053 0.000 1.167 376 F HN -0.010 nan 8.300 nan 0.000 0.597 377 Y N 1.030 121.494 120.300 0.273 0.000 2.597 377 Y HA -0.055 4.495 4.550 -0.001 0.000 0.336 377 Y C 0.634 176.582 175.900 0.080 0.000 1.216 377 Y CA -0.382 57.802 58.100 0.141 0.000 1.463 377 Y CB 0.019 38.518 38.460 0.066 0.000 1.303 377 Y HN 0.382 nan 8.280 nan 0.000 0.576 378 D N 4.571 125.070 120.400 0.166 0.000 2.472 378 D HA 0.031 4.670 4.640 -0.001 0.000 0.237 378 D C -2.040 174.299 176.300 0.065 0.000 1.141 378 D CA -0.790 53.258 54.000 0.080 0.000 0.875 378 D CB 0.424 41.231 40.800 0.012 0.000 1.192 378 D HN 0.285 nan 8.370 nan 0.000 0.450 379 P HA 0.194 nan 4.420 nan 0.000 0.272 379 P C -2.484 174.828 177.300 0.019 0.000 1.254 379 P CA -0.833 62.275 63.100 0.014 0.000 0.795 379 P CB -0.258 31.454 31.700 0.021 0.000 1.022 380 P HA 0.404 nan 4.420 nan 0.000 0.282 380 P C -0.826 176.490 177.300 0.026 0.000 1.259 380 P CA 0.022 63.139 63.100 0.027 0.000 0.826 380 P CB 0.364 32.086 31.700 0.037 0.000 1.064 399 K N 0.571 120.972 120.400 0.002 0.000 5.705 399 K HA -0.185 4.134 4.320 -0.001 0.000 0.638 399 K C -1.429 175.163 176.600 -0.013 0.000 1.874 399 K CA 1.288 57.575 56.287 -0.001 0.000 1.442 399 K CB -1.947 30.555 32.500 0.002 0.000 1.832 399 K HN 0.659 nan 8.250 nan 0.000 0.290 400 T N 4.245 118.795 114.554 -0.007 0.000 2.929 400 T HA 0.278 4.628 4.350 -0.001 0.000 0.284 400 T C 0.342 175.028 174.700 -0.023 0.000 1.014 400 T CA -0.748 61.343 62.100 -0.015 0.000 1.051 400 T CB 1.210 70.081 68.868 0.004 0.000 1.028 400 T HN 0.493 nan 8.240 nan 0.000 0.485 401 Q N 1.178 120.947 119.800 -0.051 0.000 2.454 401 Q HA 0.439 4.779 4.340 -0.001 0.000 0.247 401 Q C 0.525 176.579 176.000 0.089 0.000 1.028 401 Q CA -0.360 55.406 55.803 -0.062 0.000 0.910 401 Q CB 0.533 29.145 28.738 -0.209 0.000 1.276 401 Q HN 0.805 nan 8.270 nan 0.000 0.489 402 T N -2.745 111.942 114.554 0.221 0.000 2.926 402 T HA 0.554 4.904 4.350 -0.001 0.000 0.289 402 T C 0.144 174.996 174.700 0.253 0.000 1.054 402 T CA -0.861 61.330 62.100 0.152 0.000 1.015 402 T CB 1.492 70.403 68.868 0.071 0.000 1.167 402 T HN 0.668 nan 8.240 nan 0.000 0.526 403 T N -1.273 113.245 114.554 -0.061 0.000 2.810 403 T HA 0.255 4.605 4.350 -0.001 0.000 0.277 403 T C 1.344 175.995 174.700 -0.081 0.000 0.973 403 T CA -0.423 61.617 62.100 -0.101 0.000 0.949 403 T CB 0.167 68.528 68.868 -0.845 0.000 1.075 403 T HN 0.916 nan 8.240 nan 0.000 0.537 404 H N -0.287 118.808 119.070 0.042 0.000 2.563 404 H HA 0.010 4.566 4.556 -0.001 0.000 0.272 404 H C 0.778 176.207 175.328 0.169 0.000 1.005 404 H CA 0.568 56.698 56.048 0.137 0.000 1.171 404 H CB -0.823 29.084 29.762 0.242 0.000 1.351 404 H HN 0.914 nan 8.280 nan 0.000 0.602 405 Y N -1.796 118.309 120.300 -0.324 0.000 2.531 405 Y HA 0.527 5.077 4.550 -0.001 0.000 0.249 405 Y C 1.449 177.268 175.900 -0.135 0.000 1.168 405 Y CA -0.596 57.334 58.100 -0.283 0.000 1.226 405 Y CB 0.323 38.519 38.460 -0.439 0.000 1.177 405 Y HN 0.170 nan 8.280 nan 0.000 0.527 406 G N 1.080 109.742 108.800 -0.230 0.000 2.132 406 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.228 406 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.228 406 G C -0.224 174.600 174.900 -0.126 0.000 1.000 406 G CA 0.172 45.205 45.100 -0.110 0.000 0.693 406 G HN 0.627 nan 8.290 nan 0.000 0.515 407 Q N 0.556 120.189 119.800 -0.278 0.000 2.307 407 Q HA 0.550 4.889 4.340 -0.001 0.000 0.262 407 Q C 0.209 176.162 176.000 -0.080 0.000 0.961 407 Q CA -0.701 55.024 55.803 -0.130 0.000 0.882 407 Q CB 0.835 29.533 28.738 -0.068 0.000 1.264 407 Q HN 0.504 nan 8.270 nan 0.000 0.446 408 E N 2.025 122.222 120.200 -0.006 0.000 2.413 408 E HA 0.084 4.434 4.350 -0.001 0.000 0.263 408 E C -0.786 175.833 176.600 0.032 0.000 1.015 408 E CA -0.108 56.298 56.400 0.009 0.000 0.916 408 E CB 1.124 30.839 29.700 0.025 0.000 0.947 408 E HN 0.376 nan 8.360 nan 0.000 0.440 409 V N 2.793 122.687 119.914 -0.034 0.000 2.259 409 V HA 0.234 4.353 4.120 -0.001 0.000 0.267 409 V C 0.487 176.586 176.094 0.008 0.000 1.051 409 V CA -0.131 62.126 62.300 -0.071 0.000 0.830 409 V CB 0.764 32.301 31.823 -0.478 0.000 1.080 409 V HN 0.798 nan 8.190 nan 0.000 0.467 410 A N 3.310 126.183 122.820 0.088 0.000 2.460 410 A HA 0.313 4.632 4.320 -0.001 0.000 0.258 410 A C 0.858 178.500 177.584 0.098 0.000 1.300 410 A CA 0.309 52.392 52.037 0.077 0.000 0.913 410 A CB -0.074 18.971 19.000 0.075 0.000 1.031 410 A HN 0.784 nan 8.150 nan 0.000 0.512 411 D N -2.378 118.106 120.400 0.141 0.000 2.672 411 D HA 0.049 4.689 4.640 -0.001 0.000 0.287 411 D C -0.224 176.121 176.300 0.075 0.000 1.559 411 D CA -0.255 53.837 54.000 0.153 0.000 0.796 411 D CB -1.433 39.519 40.800 0.253 0.000 1.181 411 D HN 0.058 nan 8.370 nan 0.000 0.458 412 C N 1.990 121.266 119.300 -0.039 0.000 2.540 412 C HA 0.430 4.890 4.460 -0.001 0.000 0.377 412 C C 1.457 176.128 174.990 -0.533 0.000 1.274 412 C CA -0.279 58.479 59.018 -0.433 0.000 1.718 412 C CB -0.753 26.909 27.740 -0.129 0.000 2.391 412 C HN 0.325 nan 8.230 nan 0.000 0.565 413 V N 5.934 125.336 119.914 -0.854 0.000 3.099 413 V HA 0.233 4.353 4.120 -0.001 0.000 0.356 413 V C 1.239 176.966 176.094 -0.612 0.000 1.364 413 V CA 0.428 62.419 62.300 -0.514 0.000 1.229 413 V CB -0.861 30.717 31.823 -0.409 0.000 1.227 413 V HN 0.895 nan 8.190 nan 0.000 0.493 414 L N 1.089 121.904 121.223 -0.679 0.000 2.056 414 L HA 0.071 4.411 4.340 -0.001 0.000 0.207 414 L C 2.770 179.395 176.870 -0.409 0.000 1.078 414 L CA 1.907 56.314 54.840 -0.723 0.000 0.749 414 L CB -0.849 40.542 42.059 -1.113 0.000 0.901 414 L HN 0.542 nan 8.230 nan 0.000 0.433 415 G N -0.424 108.298 108.800 -0.130 0.000 2.586 415 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.218 415 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.218 415 G C 1.399 176.317 174.900 0.030 0.000 1.216 415 G CA 0.974 46.148 45.100 0.123 0.000 0.786 415 G HN 0.364 nan 8.290 nan 0.000 0.583 416 E N -0.273 119.914 120.200 -0.022 0.000 2.049 416 E HA -0.148 4.202 4.350 -0.001 0.000 0.198 416 E C 2.535 179.122 176.600 -0.021 0.000 1.007 416 E CA 1.160 57.585 56.400 0.042 0.000 0.809 416 E CB -0.246 29.549 29.700 0.159 0.000 0.749 416 E HN 0.406 nan 8.360 nan 0.000 0.450 417 L N 0.446 121.482 121.223 -0.312 0.000 1.970 417 L HA -0.225 4.115 4.340 -0.001 0.000 0.212 417 L C 2.446 179.231 176.870 -0.142 0.000 1.071 417 L CA 1.258 55.849 54.840 -0.415 0.000 0.751 417 L CB -0.290 41.260 42.059 -0.849 0.000 0.889 417 L HN 0.023 nan 8.230 nan 0.000 0.432 418 V N -0.207 119.633 119.914 -0.123 0.000 2.252 418 V HA -0.379 3.740 4.120 -0.001 0.000 0.249 418 V C 2.509 178.622 176.094 0.030 0.000 1.056 418 V CA 2.463 64.754 62.300 -0.016 0.000 1.022 418 V CB -1.179 30.712 31.823 0.114 0.000 0.641 418 V HN 0.589 nan 8.190 nan 0.000 0.445 419 T N -0.198 114.397 114.554 0.068 0.000 2.536 419 T HA -0.379 3.970 4.350 -0.001 0.000 0.263 419 T C 1.991 176.739 174.700 0.080 0.000 1.115 419 T CA 2.477 64.628 62.100 0.085 0.000 1.180 419 T CB -0.447 68.475 68.868 0.091 0.000 0.864 419 T HN 0.455 nan 8.240 nan 0.000 0.419 420 R N 0.440 120.997 120.500 0.095 0.000 2.154 420 R HA -0.159 4.181 4.340 -0.001 0.000 0.248 420 R C 2.368 178.718 176.300 0.083 0.000 1.155 420 R CA 1.543 57.711 56.100 0.112 0.000 0.979 420 R CB -0.465 29.949 30.300 0.190 0.000 0.869 420 R HN 0.360 nan 8.270 nan 0.000 0.452 421 L N 0.682 121.936 121.223 0.051 0.000 2.095 421 L HA -0.082 4.257 4.340 -0.001 0.000 0.204 421 L C 2.113 178.986 176.870 0.005 0.000 1.080 421 L CA 1.623 56.475 54.840 0.020 0.000 0.759 421 L CB -0.344 41.702 42.059 -0.022 0.000 0.914 421 L HN 0.211 nan 8.230 nan 0.000 0.439 422 Q N -0.510 119.292 119.800 0.003 0.000 2.096 422 Q HA -0.211 4.129 4.340 -0.001 0.000 0.204 422 Q C 1.977 178.051 176.000 0.124 0.000 0.982 422 Q CA 1.813 57.645 55.803 0.049 0.000 0.850 422 Q CB -0.037 28.780 28.738 0.133 0.000 0.901 422 Q HN 0.449 nan 8.270 nan 0.000 0.422 423 K N 0.073 120.532 120.400 0.098 0.000 2.031 423 K HA -0.063 4.256 4.320 -0.001 0.000 0.205 423 K C 2.251 178.897 176.600 0.077 0.000 1.049 423 K CA 1.458 57.800 56.287 0.092 0.000 0.939 423 K CB -0.689 31.858 32.500 0.078 0.000 0.717 423 K HN 0.187 nan 8.250 nan 0.000 0.438 424 S N 1.096 116.836 115.700 0.066 0.000 2.419 424 S HA -0.052 4.418 4.470 -0.001 0.000 0.233 424 S C 1.873 176.506 174.600 0.055 0.000 1.016 424 S CA 1.073 59.307 58.200 0.056 0.000 0.974 424 S CB -0.096 63.136 63.200 0.052 0.000 0.786 424 S HN 0.290 nan 8.310 nan 0.000 0.492 425 A N 0.422 123.280 122.820 0.063 0.000 2.430 425 A HA 0.474 4.794 4.320 -0.001 0.000 0.243 425 A C 0.704 178.354 177.584 0.109 0.000 1.254 425 A CA 0.081 52.159 52.037 0.067 0.000 0.914 425 A CB -0.796 18.229 19.000 0.041 0.000 0.998 425 A HN 0.656 nan 8.150 nan 0.000 0.515 426 N N -2.149 116.624 118.700 0.121 0.000 2.780 426 N HA -0.213 4.526 4.740 -0.001 0.000 0.247 426 N C 0.175 175.791 175.510 0.176 0.000 1.076 426 N CA 0.621 53.740 53.050 0.115 0.000 0.688 426 N CB -1.487 37.044 38.487 0.074 0.000 0.957 426 N HN 0.438 nan 8.380 nan 0.000 0.551 427 F N 0.386 120.348 119.950 0.020 0.000 2.014 427 F HA -0.096 4.431 4.527 -0.001 0.000 0.295 427 F C 2.430 178.240 175.800 0.017 0.000 1.145 427 F CA 2.171 60.182 58.000 0.020 0.000 1.178 427 F CB -1.029 37.989 39.000 0.030 0.000 0.972 427 F HN 0.233 nan 8.300 nan 0.000 0.476 428 T N -0.318 114.195 114.554 -0.068 0.000 2.624 428 T HA -0.269 4.081 4.350 -0.001 0.000 0.268 428 T C 1.972 176.591 174.700 -0.135 0.000 1.041 428 T CA 2.517 64.504 62.100 -0.188 0.000 1.159 428 T CB -0.868 67.967 68.868 -0.054 0.000 0.863 428 T HN 0.317 nan 8.240 nan 0.000 0.434 429 T N 1.407 115.933 114.554 -0.047 0.000 2.684 429 T HA -0.089 4.261 4.350 -0.001 0.000 0.267 429 T C 2.189 176.861 174.700 -0.047 0.000 1.036 429 T CA 1.041 63.122 62.100 -0.032 0.000 1.148 429 T CB -0.188 68.681 68.868 0.001 0.000 0.863 429 T HN 0.306 nan 8.240 nan 0.000 0.436 430 R N 0.320 120.797 120.500 -0.038 0.000 2.091 430 R HA -0.051 4.288 4.340 -0.001 0.000 0.238 430 R C 2.664 178.914 176.300 -0.083 0.000 1.136 430 R CA 1.315 57.394 56.100 -0.035 0.000 0.959 430 R CB -0.261 30.052 30.300 0.022 0.000 0.856 430 R HN 0.269 nan 8.270 nan 0.000 0.437 431 R N 0.411 120.802 120.500 -0.181 0.000 2.097 431 R HA -0.192 4.148 4.340 -0.001 0.000 0.236 431 R C 2.251 178.484 176.300 -0.112 0.000 1.135 431 R CA 1.995 57.968 56.100 -0.213 0.000 0.934 431 R CB -0.459 29.611 30.300 -0.383 0.000 0.846 431 R HN 0.255 nan 8.270 nan 0.000 0.431 432 A N 0.698 123.461 122.820 -0.095 0.000 1.849 432 A HA -0.284 4.036 4.320 -0.001 0.000 0.217 432 A C 1.981 179.558 177.584 -0.011 0.000 1.202 432 A CA 2.064 54.074 52.037 -0.045 0.000 0.629 432 A CB -0.887 18.091 19.000 -0.037 0.000 0.834 432 A HN 0.537 nan 8.150 nan 0.000 0.447 433 E N -0.588 119.607 120.200 -0.008 0.000 2.136 433 E HA -0.251 4.098 4.350 -0.001 0.000 0.202 433 E C 1.834 178.468 176.600 0.056 0.000 1.019 433 E CA 1.771 58.186 56.400 0.024 0.000 0.819 433 E CB -0.382 29.321 29.700 0.005 0.000 0.739 433 E HN 0.736 nan 8.360 nan 0.000 0.458 434 I N 0.324 120.901 120.570 0.011 0.000 2.252 434 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 434 I C 2.473 178.653 176.117 0.104 0.000 1.102 434 I CA 0.737 62.058 61.300 0.035 0.000 1.385 434 I CB -0.343 37.637 38.000 -0.034 0.000 1.064 434 I HN 0.128 nan 8.210 nan 0.000 0.414 435 A N 1.166 124.016 122.820 0.050 0.000 1.849 435 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 435 A C 2.571 180.202 177.584 0.078 0.000 1.202 435 A CA 2.447 54.512 52.037 0.047 0.000 0.629 435 A CB -1.210 17.796 19.000 0.010 0.000 0.834 435 A HN 0.428 nan 8.150 nan 0.000 0.447 436 A N -1.576 121.289 122.820 0.075 0.000 1.863 436 A HA -0.303 4.017 4.320 -0.001 0.000 0.218 436 A C 2.037 179.692 177.584 0.118 0.000 1.233 436 A CA 2.090 54.172 52.037 0.076 0.000 0.655 436 A CB -1.510 17.537 19.000 0.078 0.000 0.839 436 A HN 0.947 nan 8.150 nan 0.000 0.454 437 W N 1.148 122.434 121.300 -0.024 0.000 2.308 437 W HA -0.276 4.384 4.660 -0.001 0.000 0.301 437 W C 2.051 178.555 176.519 -0.025 0.000 1.220 437 W CA 2.289 59.620 57.345 -0.022 0.000 1.240 437 W CB -0.202 29.246 29.460 -0.020 0.000 1.142 437 W HN 0.440 nan 8.180 nan 0.000 0.521 438 N N -0.047 118.844 118.700 0.319 0.000 2.058 438 N HA -0.204 4.535 4.740 -0.001 0.000 0.191 438 N C 1.946 177.440 175.510 -0.026 0.000 1.037 438 N CA 2.324 55.478 53.050 0.173 0.000 0.848 438 N CB -1.375 37.203 38.487 0.152 0.000 1.021 438 N HN 0.243 nan 8.380 nan 0.000 0.422 439 S N -0.840 114.851 115.700 -0.015 0.000 2.528 439 S HA -0.050 4.420 4.470 -0.001 0.000 0.244 439 S C 1.233 175.775 174.600 -0.098 0.000 0.982 439 S CA 1.089 59.259 58.200 -0.049 0.000 0.953 439 S CB -0.412 62.770 63.200 -0.029 0.000 0.754 439 S HN 0.216 nan 8.310 nan 0.000 0.529 440 T N 1.005 115.458 114.554 -0.168 0.000 3.085 440 T HA 0.335 4.685 4.350 -0.001 0.000 0.264 440 T C -0.169 174.339 174.700 -0.319 0.000 1.019 440 T CA -0.381 61.584 62.100 -0.225 0.000 0.910 440 T CB -0.152 68.554 68.868 -0.270 0.000 1.059 440 T HN 0.445 nan 8.240 nan 0.000 0.542 441 N N 0.830 119.333 118.700 -0.328 0.000 2.265 441 N HA 0.484 5.224 4.740 -0.001 0.000 0.300 441 N C 0.706 176.105 175.510 -0.185 0.000 1.148 441 N CA -0.840 52.001 53.050 -0.349 0.000 0.772 441 N CB 1.803 39.944 38.487 -0.577 0.000 1.434 441 N HN 0.067 nan 8.380 nan 0.000 0.481 442 R N -0.215 120.199 120.500 -0.144 0.000 2.521 442 R HA 0.257 4.596 4.340 -0.001 0.000 0.289 442 R C -0.219 176.044 176.300 -0.061 0.000 0.936 442 R CA 0.169 56.217 56.100 -0.087 0.000 1.089 442 R CB 0.287 30.541 30.300 -0.076 0.000 1.348 442 R HN 0.436 nan 8.270 nan 0.000 0.536 443 T N 0.662 115.179 114.554 -0.062 0.000 3.000 443 T HA 0.374 4.724 4.350 -0.001 0.000 0.248 443 T C 0.385 175.088 174.700 0.005 0.000 1.034 443 T CA 0.198 62.281 62.100 -0.028 0.000 1.060 443 T CB 0.309 69.160 68.868 -0.027 0.000 0.983 443 T HN -0.001 nan 8.240 nan 0.000 0.482 444 L N 0.823 122.062 121.223 0.027 0.000 2.319 444 L HA 0.857 5.196 4.340 -0.001 0.000 0.267 444 L C -0.793 176.198 176.870 0.201 0.000 1.011 444 L CA -1.238 53.683 54.840 0.135 0.000 0.818 444 L CB 1.863 44.094 42.059 0.286 0.000 1.316 444 L HN 0.038 nan 8.230 nan 0.000 0.432 445 A N 1.820 124.768 122.820 0.213 0.000 2.520 445 A HA 0.733 5.052 4.320 -0.001 0.000 0.298 445 A C -1.124 176.543 177.584 0.138 0.000 1.051 445 A CA -0.705 51.474 52.037 0.236 0.000 0.690 445 A CB 1.782 20.840 19.000 0.096 0.000 1.281 445 A HN 0.722 nan 8.150 nan 0.000 0.402 446 R N 0.390 120.953 120.500 0.105 0.000 2.668 446 R HA 0.742 5.082 4.340 -0.001 0.000 0.279 446 R C 0.080 176.356 176.300 -0.040 0.000 0.976 446 R CA -0.382 55.666 56.100 -0.086 0.000 0.978 446 R CB 2.245 32.350 30.300 -0.325 0.000 1.133 446 R HN 0.937 nan 8.270 nan 0.000 0.484 447 G N 0.804 109.569 108.800 -0.059 0.000 2.672 447 G HA2 0.680 4.640 3.960 -0.001 0.000 0.292 447 G HA3 0.680 4.640 3.960 -0.001 0.000 0.292 447 G C -1.608 173.283 174.900 -0.014 0.000 1.375 447 G CA -0.498 44.582 45.100 -0.033 0.000 0.890 447 G HN 0.475 nan 8.290 nan 0.000 0.476 448 I N 0.072 120.661 120.570 0.031 0.000 2.692 448 I HA 0.695 4.864 4.170 -0.001 0.000 0.293 448 I C -0.559 175.654 176.117 0.159 0.000 1.200 448 I CA -0.812 60.542 61.300 0.091 0.000 1.036 448 I CB 2.071 40.142 38.000 0.118 0.000 1.258 448 I HN 0.867 nan 8.210 nan 0.000 0.421 449 A N 6.377 129.292 122.820 0.158 0.000 2.527 449 A HA 0.845 5.165 4.320 -0.001 0.000 0.293 449 A C -2.023 175.627 177.584 0.111 0.000 1.117 449 A CA -0.569 51.574 52.037 0.177 0.000 0.723 449 A CB 1.996 21.072 19.000 0.126 0.000 1.313 449 A HN 0.681 nan 8.150 nan 0.000 0.411 450 L N 1.208 122.481 121.223 0.083 0.000 2.346 450 L HA 0.856 5.195 4.340 -0.001 0.000 0.276 450 L C -0.284 176.628 176.870 0.069 0.000 1.006 450 L CA 0.174 54.986 54.840 -0.045 0.000 0.817 450 L CB 2.167 44.099 42.059 -0.211 0.000 1.272 450 L HN 1.017 nan 8.230 nan 0.000 0.421 451 S N 4.557 120.304 115.700 0.079 0.000 2.548 451 S HA 0.823 5.293 4.470 -0.001 0.000 0.276 451 S C -3.161 171.516 174.600 0.128 0.000 1.129 451 S CA -1.047 57.239 58.200 0.142 0.000 0.931 451 S CB 2.109 65.399 63.200 0.151 0.000 1.068 451 S HN 0.588 nan 8.310 nan 0.000 0.480 452 P HA 0.707 nan 4.420 nan 0.000 0.287 452 P C -1.286 176.060 177.300 0.076 0.000 1.290 452 P CA -0.877 62.269 63.100 0.076 0.000 0.889 452 P CB 1.806 33.528 31.700 0.038 0.000 1.190 453 V N 1.206 121.160 119.914 0.066 0.000 2.789 453 V HA 0.527 4.646 4.120 -0.001 0.000 0.311 453 V C -0.180 175.959 176.094 0.075 0.000 1.073 453 V CA -0.511 61.850 62.300 0.102 0.000 0.921 453 V CB 2.075 33.989 31.823 0.152 0.000 1.009 453 V HN 0.671 nan 8.190 nan 0.000 0.426 454 K N 4.307 124.729 120.400 0.036 0.000 2.541 454 K HA 0.621 4.941 4.320 -0.001 0.000 0.250 454 K C -2.131 174.500 176.600 0.052 0.000 0.950 454 K CA -0.442 55.749 56.287 -0.160 0.000 0.805 454 K CB 1.729 34.103 32.500 -0.209 0.000 1.166 454 K HN 0.500 nan 8.250 nan 0.000 0.430 455 F N 3.196 123.064 119.950 -0.136 0.000 2.612 455 F HA 0.491 5.017 4.527 -0.001 0.000 0.332 455 F C 0.182 175.865 175.800 -0.196 0.000 1.167 455 F CA -0.423 57.555 58.000 -0.036 0.000 0.970 455 F CB 1.628 40.546 39.000 -0.138 0.000 1.234 455 F HN 0.748 nan 8.300 nan 0.000 0.453 456 G N 5.879 114.310 108.800 -0.615 0.000 2.491 456 G HA2 0.351 4.311 3.960 -0.001 0.000 0.238 456 G HA3 0.351 4.311 3.960 -0.001 0.000 0.238 456 G C -0.764 173.324 174.900 -1.352 0.000 1.277 456 G CA -0.362 43.694 45.100 -1.739 0.000 0.851 456 G HN 0.488 nan 8.290 nan 0.000 0.573 457 I N 0.775 120.711 120.570 -1.057 0.000 2.389 457 I HA 0.582 4.751 4.170 -0.001 0.000 0.288 457 I C 0.261 176.217 176.117 -0.267 0.000 0.999 457 I CA -0.264 60.656 61.300 -0.634 0.000 1.129 457 I CB 0.626 37.993 38.000 -1.055 0.000 1.288 457 I HN 0.559 nan 8.210 nan 0.000 0.444 458 S N 4.485 120.098 115.700 -0.146 0.000 3.002 458 S HA 0.082 4.552 4.470 -0.001 0.000 0.244 458 S C -0.673 173.894 174.600 -0.055 0.000 0.572 458 S CA -0.895 57.281 58.200 -0.040 0.000 1.082 458 S CB -0.123 63.108 63.200 0.052 0.000 1.172 458 S HN 0.306 nan 8.310 nan 0.000 0.602 459 F N 2.251 122.160 119.950 -0.069 0.000 2.595 459 F HA 0.142 4.669 4.527 -0.001 0.000 0.359 459 F C 2.302 178.053 175.800 -0.082 0.000 1.147 459 F CA 1.135 59.068 58.000 -0.112 0.000 1.341 459 F CB 0.666 39.583 39.000 -0.139 0.000 1.104 459 F HN 0.766 nan 8.300 nan 0.000 0.603 460 T N -0.137 114.485 114.554 0.114 0.000 3.067 460 T HA 0.021 4.371 4.350 -0.001 0.000 0.261 460 T C 0.707 175.610 174.700 0.338 0.000 1.110 460 T CA 0.079 62.222 62.100 0.072 0.000 1.113 460 T CB 0.027 68.958 68.868 0.104 0.000 0.917 460 T HN 0.225 nan 8.240 nan 0.000 0.499 461 L N 3.788 125.154 121.223 0.238 0.000 2.387 461 L HA 0.389 4.728 4.340 -0.001 0.000 0.267 461 L C 1.177 178.041 176.870 -0.010 0.000 1.197 461 L CA 0.069 54.984 54.840 0.125 0.000 1.070 461 L CB -0.925 41.151 42.059 0.028 0.000 1.349 461 L HN 0.218 nan 8.230 nan 0.000 0.422 462 T N 2.015 116.649 114.554 0.134 0.000 2.680 462 T HA -0.260 4.089 4.350 -0.001 0.000 0.268 462 T C 1.583 176.296 174.700 0.022 0.000 1.033 462 T CA 2.315 64.479 62.100 0.107 0.000 1.152 462 T CB -0.416 68.560 68.868 0.179 0.000 0.859 462 T HN 0.733 nan 8.240 nan 0.000 0.452 463 H N 0.982 120.067 119.070 0.025 0.000 2.561 463 H HA 0.135 4.691 4.556 -0.001 0.000 0.278 463 H C 1.887 177.176 175.328 -0.065 0.000 1.014 463 H CA 0.488 56.534 56.048 -0.003 0.000 1.211 463 H CB -0.789 28.975 29.762 0.003 0.000 1.365 463 H HN 0.356 nan 8.280 nan 0.000 0.594 464 L N 1.077 121.984 121.223 -0.526 0.000 2.551 464 L HA -0.051 4.289 4.340 -0.001 0.000 0.228 464 L C 0.421 177.057 176.870 -0.390 0.000 1.153 464 L CA 0.321 54.785 54.840 -0.627 0.000 0.851 464 L CB -0.267 40.992 42.059 -1.334 0.000 0.959 464 L HN 0.228 nan 8.230 nan 0.000 0.451 465 N N 2.611 121.261 118.700 -0.082 0.000 3.034 465 N HA 0.113 4.852 4.740 -0.001 0.000 0.265 465 N C -0.570 174.948 175.510 0.012 0.000 1.166 465 N CA 0.040 53.135 53.050 0.074 0.000 1.081 465 N CB 0.456 39.046 38.487 0.171 0.000 1.378 465 N HN 0.469 nan 8.380 nan 0.000 0.520 466 Q N -0.280 119.498 119.800 -0.037 0.000 2.379 466 Q HA 0.840 5.179 4.340 -0.001 0.000 0.278 466 Q C -1.791 174.119 176.000 -0.150 0.000 1.068 466 Q CA -1.246 54.462 55.803 -0.159 0.000 0.816 466 Q CB 2.262 30.967 28.738 -0.055 0.000 1.387 466 Q HN 0.229 nan 8.270 nan 0.000 0.413 467 A N 0.622 123.260 122.820 -0.303 0.000 2.594 467 A HA 0.986 5.305 4.320 -0.001 0.000 0.291 467 A C -0.972 176.500 177.584 -0.186 0.000 1.105 467 A CA -0.224 51.738 52.037 -0.125 0.000 0.694 467 A CB 1.997 20.978 19.000 -0.031 0.000 1.291 467 A HN 0.961 nan 8.150 nan 0.000 0.410 468 G N -1.149 107.671 108.800 0.034 0.000 2.642 468 G HA2 0.903 4.863 3.960 -0.001 0.000 0.293 468 G HA3 0.903 4.863 3.960 -0.001 0.000 0.293 468 G C -0.732 174.250 174.900 0.137 0.000 1.341 468 G CA 0.074 45.260 45.100 0.144 0.000 0.916 468 G HN 2.008 nan 8.290 nan 0.000 0.474 469 A N -0.506 122.397 122.820 0.138 0.000 2.594 469 A HA 0.839 5.159 4.320 -0.001 0.000 0.291 469 A C -2.056 175.583 177.584 0.092 0.000 1.105 469 A CA -0.625 51.486 52.037 0.124 0.000 0.694 469 A CB 2.090 21.155 19.000 0.108 0.000 1.291 469 A HN 1.789 nan 8.150 nan 0.000 0.410 470 L N 0.862 122.127 121.223 0.069 0.000 2.438 470 L HA 0.748 5.088 4.340 -0.001 0.000 0.270 470 L C -1.585 175.296 176.870 0.018 0.000 0.972 470 L CA -0.367 54.496 54.840 0.038 0.000 0.831 470 L CB 1.865 43.942 42.059 0.030 0.000 1.273 470 L HN 0.528 nan 8.230 nan 0.000 0.405 471 V N 4.652 124.565 119.914 -0.003 0.000 2.555 471 V HA 0.654 4.774 4.120 -0.001 0.000 0.302 471 V C -0.682 175.366 176.094 -0.076 0.000 1.038 471 V CA -0.595 61.690 62.300 -0.025 0.000 0.887 471 V CB 1.797 33.609 31.823 -0.018 0.000 0.991 471 V HN 0.738 nan 8.190 nan 0.000 0.434 472 Q N 4.271 123.997 119.800 -0.124 0.000 2.353 472 Q HA 0.613 4.952 4.340 -0.001 0.000 0.268 472 Q C -1.052 174.775 176.000 -0.289 0.000 1.045 472 Q CA -0.454 55.192 55.803 -0.262 0.000 0.811 472 Q CB 3.118 31.584 28.738 -0.454 0.000 1.305 472 Q HN 0.650 nan 8.270 nan 0.000 0.447 473 I N 3.241 123.644 120.570 -0.279 0.000 2.354 473 I HA 0.276 4.446 4.170 -0.001 0.000 0.286 473 I C -0.540 175.433 176.117 -0.241 0.000 1.007 473 I CA -0.683 60.513 61.300 -0.173 0.000 1.167 473 I CB 0.466 38.442 38.000 -0.041 0.000 1.320 473 I HN 0.483 nan 8.210 nan 0.000 0.458 474 Y N 2.951 123.238 120.300 -0.022 0.000 2.282 474 Y HA 0.067 4.617 4.550 -0.001 0.000 0.335 474 Y C 2.148 177.990 175.900 -0.095 0.000 1.335 474 Y CA -0.363 57.694 58.100 -0.072 0.000 1.529 474 Y CB 0.423 38.842 38.460 -0.067 0.000 1.429 474 Y HN 0.601 nan 8.280 nan 0.000 0.563 475 T N -3.155 111.404 114.554 0.008 0.000 3.051 475 T HA -0.156 4.194 4.350 -0.001 0.000 0.269 475 T C 0.741 175.430 174.700 -0.019 0.000 1.127 475 T CA 1.200 63.245 62.100 -0.093 0.000 1.107 475 T CB -0.460 68.257 68.868 -0.252 0.000 0.898 475 T HN 0.728 nan 8.240 nan 0.000 0.517 476 D N 0.500 120.918 120.400 0.029 0.000 2.328 476 D HA 0.231 4.870 4.640 -0.001 0.000 0.221 476 D C 1.669 178.024 176.300 0.091 0.000 1.072 476 D CA 0.437 54.462 54.000 0.042 0.000 0.850 476 D CB -0.664 40.151 40.800 0.025 0.000 0.922 476 D HN 0.537 nan 8.370 nan 0.000 0.516 477 G N 0.358 109.227 108.800 0.115 0.000 2.234 477 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.260 477 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.260 477 G C 0.541 175.593 174.900 0.254 0.000 0.987 477 G CA 0.520 45.750 45.100 0.216 0.000 0.625 477 G HN 0.740 nan 8.290 nan 0.000 0.532 478 S N -0.748 115.060 115.700 0.181 0.000 2.608 478 S HA 0.693 5.162 4.470 -0.001 0.000 0.261 478 S C 0.005 174.729 174.600 0.206 0.000 1.314 478 S CA 0.040 58.335 58.200 0.159 0.000 0.992 478 S CB 2.487 65.754 63.200 0.111 0.000 0.935 478 S HN 1.191 nan 8.310 nan 0.000 0.564 479 V N 0.263 120.267 119.914 0.150 0.000 2.760 479 V HA 0.731 4.850 4.120 -0.001 0.000 0.309 479 V C -0.149 176.004 176.094 0.100 0.000 1.077 479 V CA -0.874 61.492 62.300 0.111 0.000 0.910 479 V CB 1.609 33.463 31.823 0.051 0.000 1.008 479 V HN 1.200 nan 8.190 nan 0.000 0.424 480 A N 4.327 127.200 122.820 0.089 0.000 2.260 480 A HA 0.815 5.134 4.320 -0.001 0.000 0.314 480 A C -0.915 176.677 177.584 0.014 0.000 1.257 480 A CA -0.358 51.723 52.037 0.074 0.000 0.871 480 A CB 0.778 19.861 19.000 0.138 0.000 1.166 480 A HN 0.898 nan 8.150 nan 0.000 0.522 481 L N 3.014 124.241 121.223 0.007 0.000 2.309 481 L HA 0.589 4.929 4.340 -0.001 0.000 0.282 481 L C -0.476 176.405 176.870 0.018 0.000 1.036 481 L CA -0.237 54.611 54.840 0.015 0.000 0.806 481 L CB 1.256 43.325 42.059 0.017 0.000 1.220 481 L HN 0.726 nan 8.230 nan 0.000 0.429 482 N N 2.547 121.275 118.700 0.045 0.000 2.310 482 N HA 0.417 5.156 4.740 -0.001 0.000 0.292 482 N C -1.430 174.140 175.510 0.099 0.000 1.049 482 N CA -0.277 52.787 53.050 0.024 0.000 0.849 482 N CB 1.465 39.950 38.487 -0.004 0.000 1.532 482 N HN 1.000 nan 8.380 nan 0.000 0.479 483 H N -0.336 118.750 119.070 0.026 0.000 3.038 483 H HA 0.581 5.136 4.556 -0.001 0.000 0.289 483 H C 0.588 175.950 175.328 0.058 0.000 1.510 483 H CA -0.618 55.456 56.048 0.043 0.000 1.227 483 H CB 0.649 30.436 29.762 0.041 0.000 1.880 483 H HN 0.365 nan 8.280 nan 0.000 0.594 484 G N -1.087 107.806 108.800 0.155 0.000 2.887 484 G HA2 0.302 4.262 3.960 -0.001 0.000 0.211 484 G HA3 0.302 4.262 3.960 -0.001 0.000 0.211 484 G C 0.646 175.577 174.900 0.052 0.000 1.152 484 G CA 0.063 45.201 45.100 0.065 0.000 0.769 484 G HN 0.828 nan 8.290 nan 0.000 0.541 485 G N 0.117 109.015 108.800 0.164 0.000 2.651 485 G HA2 0.452 4.411 3.960 -0.001 0.000 0.260 485 G HA3 0.452 4.411 3.960 -0.001 0.000 0.260 485 G C -0.062 174.825 174.900 -0.021 0.000 1.216 485 G CA 0.410 45.588 45.100 0.130 0.000 0.913 485 G HN 0.406 nan 8.290 nan 0.000 0.535 486 T N -2.028 112.494 114.554 -0.053 0.000 2.876 486 T HA 0.536 4.885 4.350 -0.001 0.000 0.289 486 T C -0.689 173.890 174.700 -0.202 0.000 1.014 486 T CA -0.816 61.218 62.100 -0.111 0.000 0.986 486 T CB 2.314 71.143 68.868 -0.065 0.000 1.021 486 T HN 0.504 nan 8.240 nan 0.000 0.458 487 E N 2.884 122.911 120.200 -0.289 0.000 2.130 487 E HA 0.413 4.762 4.350 -0.001 0.000 0.284 487 E C 0.286 176.829 176.600 -0.094 0.000 1.018 487 E CA -0.692 55.537 56.400 -0.285 0.000 0.817 487 E CB 0.562 30.035 29.700 -0.379 0.000 1.078 487 E HN 0.762 nan 8.360 nan 0.000 0.396 488 M N 2.794 122.339 119.600 -0.092 0.000 2.785 488 M HA 0.509 4.989 4.480 -0.001 0.000 0.374 488 M C 0.747 177.013 176.300 -0.058 0.000 1.221 488 M CA -0.075 55.171 55.300 -0.090 0.000 0.912 488 M CB 0.510 32.989 32.600 -0.202 0.000 1.355 488 M HN 0.603 nan 8.290 nan 0.000 0.513 489 G N 1.583 110.427 108.800 0.073 0.000 2.179 489 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.220 489 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.220 489 G C 0.676 175.671 174.900 0.159 0.000 0.990 489 G CA 0.430 45.607 45.100 0.129 0.000 0.646 489 G HN 0.667 nan 8.290 nan 0.000 0.517 490 Q N 0.903 120.753 119.800 0.083 0.000 2.319 490 Q HA 0.392 4.732 4.340 -0.001 0.000 0.202 490 Q C 1.455 177.500 176.000 0.075 0.000 0.896 490 Q CA 0.970 56.809 55.803 0.060 0.000 0.942 490 Q CB 0.086 28.815 28.738 -0.015 0.000 1.083 490 Q HN 1.866 nan 8.270 nan 0.000 0.510 491 G N 1.765 110.626 108.800 0.102 0.000 2.137 491 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.237 491 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.237 491 G C 0.325 175.163 174.900 -0.104 0.000 1.002 491 G CA 0.432 45.505 45.100 -0.045 0.000 0.702 491 G HN 0.404 nan 8.290 nan 0.000 0.515 492 L N 0.075 121.231 121.223 -0.112 0.000 1.961 492 L HA 0.078 4.418 4.340 -0.001 0.000 0.210 492 L C 2.607 179.455 176.870 -0.037 0.000 1.072 492 L CA 2.878 57.661 54.840 -0.095 0.000 0.749 492 L CB -0.608 41.385 42.059 -0.109 0.000 0.889 492 L HN 0.333 nan 8.230 nan 0.000 0.432 493 H N 0.153 119.220 119.070 -0.005 0.000 2.375 493 H HA -0.259 4.297 4.556 -0.001 0.000 0.289 493 H C 2.127 177.394 175.328 -0.102 0.000 1.121 493 H CA 1.781 57.829 56.048 -0.001 0.000 1.207 493 H CB -1.063 28.678 29.762 -0.035 0.000 1.355 493 H HN 0.590 nan 8.280 nan 0.000 0.486 494 A N 1.202 123.987 122.820 -0.058 0.000 1.855 494 A HA -0.167 4.153 4.320 -0.001 0.000 0.215 494 A C 2.371 179.914 177.584 -0.069 0.000 1.191 494 A CA 1.695 53.679 52.037 -0.088 0.000 0.613 494 A CB -0.302 18.619 19.000 -0.131 0.000 0.829 494 A HN 0.435 nan 8.150 nan 0.000 0.442 495 K N -0.821 119.535 120.400 -0.074 0.000 2.074 495 K HA -0.176 4.144 4.320 -0.001 0.000 0.209 495 K C 2.037 178.584 176.600 -0.087 0.000 1.048 495 K CA 1.661 57.901 56.287 -0.078 0.000 0.926 495 K CB -0.359 32.098 32.500 -0.070 0.000 0.713 495 K HN 0.329 nan 8.250 nan 0.000 0.444 496 M N 0.630 120.171 119.600 -0.098 0.000 2.086 496 M HA -0.129 4.351 4.480 -0.001 0.000 0.261 496 M C 2.369 178.621 176.300 -0.080 0.000 1.067 496 M CA 1.328 56.540 55.300 -0.146 0.000 1.116 496 M CB -0.953 31.448 32.600 -0.332 0.000 1.348 496 M HN -0.051 nan 8.290 nan 0.000 0.407 497 V N 0.387 120.271 119.914 -0.050 0.000 2.282 497 V HA -0.325 3.794 4.120 -0.001 0.000 0.249 497 V C 2.452 178.503 176.094 -0.072 0.000 1.057 497 V CA 1.915 64.183 62.300 -0.053 0.000 1.032 497 V CB -0.777 31.014 31.823 -0.054 0.000 0.645 497 V HN 0.521 nan 8.190 nan 0.000 0.447 498 Q N -0.840 118.909 119.800 -0.086 0.000 2.050 498 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 498 Q C 2.301 178.224 176.000 -0.129 0.000 0.980 498 Q CA 1.953 57.688 55.803 -0.113 0.000 0.840 498 Q CB -0.345 28.314 28.738 -0.132 0.000 0.898 498 Q HN 0.544 nan 8.270 nan 0.000 0.424 499 V N 0.878 120.731 119.914 -0.102 0.000 2.324 499 V HA -0.336 3.784 4.120 -0.001 0.000 0.250 499 V C 2.183 178.276 176.094 -0.003 0.000 1.060 499 V CA 1.926 64.207 62.300 -0.031 0.000 1.042 499 V CB -0.993 30.871 31.823 0.068 0.000 0.650 499 V HN 0.447 nan 8.190 nan 0.000 0.450 500 A N -0.220 122.580 122.820 -0.032 0.000 1.898 500 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 500 A C 2.437 179.986 177.584 -0.059 0.000 1.181 500 A CA 1.815 53.833 52.037 -0.033 0.000 0.620 500 A CB -0.758 18.220 19.000 -0.036 0.000 0.819 500 A HN 0.568 nan 8.150 nan 0.000 0.442 501 A N 0.000 122.772 122.820 -0.081 0.000 1.940 501 A HA 0.112 4.432 4.320 -0.001 0.000 0.219 501 A C 2.473 179.998 177.584 -0.097 0.000 1.176 501 A CA 2.147 54.121 52.037 -0.105 0.000 0.631 501 A CB -0.955 17.983 19.000 -0.104 0.000 0.814 501 A HN 1.046 nan 8.150 nan 0.000 0.446 502 A N -0.835 121.929 122.820 -0.093 0.000 1.902 502 A HA 0.026 4.346 4.320 -0.001 0.000 0.217 502 A C 2.123 179.706 177.584 -0.001 0.000 1.181 502 A CA 1.838 53.822 52.037 -0.088 0.000 0.623 502 A CB -0.657 18.220 19.000 -0.205 0.000 0.818 502 A HN 0.435 nan 8.150 nan 0.000 0.443 503 V N -0.524 119.407 119.914 0.029 0.000 3.052 503 V HA 0.010 4.130 4.120 -0.001 0.000 0.254 503 V C 2.093 178.163 176.094 -0.040 0.000 1.100 503 V CA 0.971 63.298 62.300 0.046 0.000 1.112 503 V CB -0.259 31.599 31.823 0.059 0.000 0.738 503 V HN 0.518 nan 8.190 nan 0.000 0.469 504 L N 0.296 121.471 121.223 -0.079 0.000 2.529 504 L HA 0.296 4.636 4.340 -0.001 0.000 0.223 504 L C 1.750 178.553 176.870 -0.113 0.000 1.113 504 L CA 0.921 55.672 54.840 -0.148 0.000 0.861 504 L CB -0.132 41.832 42.059 -0.160 0.000 1.012 504 L HN 0.540 nan 8.230 nan 0.000 0.461 505 G N 1.377 110.151 108.800 -0.045 0.000 2.136 505 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.242 505 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.242 505 G C 0.275 175.133 174.900 -0.069 0.000 0.989 505 G CA 0.598 45.721 45.100 0.037 0.000 0.682 505 G HN 0.439 nan 8.290 nan 0.000 0.522 506 I N -3.224 117.221 120.570 -0.209 0.000 3.237 506 I HA 0.843 5.012 4.170 -0.001 0.000 0.308 506 I C -0.459 175.566 176.117 -0.154 0.000 1.093 506 I CA -1.230 59.916 61.300 -0.256 0.000 1.001 506 I CB 1.803 39.500 38.000 -0.504 0.000 1.245 506 I HN -0.037 nan 8.210 nan 0.000 0.485 507 D N 1.974 122.302 120.400 -0.120 0.000 2.255 507 D HA 0.333 4.973 4.640 -0.001 0.000 0.249 507 D C -1.894 174.356 176.300 -0.084 0.000 1.078 507 D CA -2.390 51.561 54.000 -0.081 0.000 0.896 507 D CB 1.674 42.443 40.800 -0.051 0.000 1.194 507 D HN 0.230 nan 8.370 nan 0.000 0.429 508 P HA -0.202 nan 4.420 nan 0.000 0.218 508 P C 1.541 178.809 177.300 -0.055 0.000 1.152 508 P CA 0.799 63.858 63.100 -0.069 0.000 0.857 508 P CB 0.186 31.849 31.700 -0.062 0.000 0.787 509 V N -0.165 119.722 119.914 -0.045 0.000 2.568 509 V HA -0.225 3.894 4.120 -0.001 0.000 0.253 509 V C 2.224 178.302 176.094 -0.026 0.000 1.072 509 V CA 1.643 63.923 62.300 -0.032 0.000 1.084 509 V CB -1.110 30.699 31.823 -0.024 0.000 0.676 509 V HN 0.208 nan 8.190 nan 0.000 0.469 510 Q N -0.551 119.229 119.800 -0.034 0.000 2.482 510 Q HA 0.123 4.463 4.340 -0.001 0.000 0.209 510 Q C 0.196 176.188 176.000 -0.013 0.000 0.961 510 Q CA 0.337 56.129 55.803 -0.017 0.000 0.945 510 Q CB 0.410 29.129 28.738 -0.033 0.000 1.012 510 Q HN 0.483 nan 8.270 nan 0.000 0.515 511 V N 1.490 121.387 119.914 -0.029 0.000 2.378 511 V HA 0.324 4.443 4.120 -0.001 0.000 0.288 511 V C -0.169 175.910 176.094 -0.024 0.000 1.016 511 V CA -0.834 61.452 62.300 -0.023 0.000 0.840 511 V CB 1.903 33.700 31.823 -0.042 0.000 0.994 511 V HN 0.035 nan 8.190 nan 0.000 0.431 512 R N 4.064 124.556 120.500 -0.013 0.000 2.474 512 R HA 0.646 4.986 4.340 -0.001 0.000 0.295 512 R C -0.799 175.467 176.300 -0.057 0.000 0.980 512 R CA -0.424 55.657 56.100 -0.031 0.000 0.934 512 R CB 1.404 31.695 30.300 -0.015 0.000 1.101 512 R HN 0.633 nan 8.270 nan 0.000 0.469 513 I N 2.499 123.004 120.570 -0.108 0.000 2.577 513 I HA 0.402 4.572 4.170 -0.001 0.000 0.300 513 I C -0.421 175.586 176.117 -0.184 0.000 0.990 513 I CA 0.262 61.450 61.300 -0.187 0.000 1.283 513 I CB 1.702 39.472 38.000 -0.383 0.000 1.411 513 I HN 0.914 nan 8.210 nan 0.000 0.515 514 T N 3.948 118.392 114.554 -0.184 0.000 2.949 514 T HA 0.862 5.212 4.350 -0.001 0.000 0.287 514 T C -0.040 174.560 174.700 -0.166 0.000 1.034 514 T CA -0.655 61.365 62.100 -0.133 0.000 1.018 514 T CB 1.137 69.963 68.868 -0.071 0.000 1.135 514 T HN 0.845 nan 8.240 nan 0.000 0.532 515 A N 1.079 123.845 122.820 -0.091 0.000 2.386 515 A HA 0.526 4.845 4.320 -0.001 0.000 0.248 515 A C 0.732 178.278 177.584 -0.063 0.000 1.082 515 A CA -0.510 51.494 52.037 -0.056 0.000 0.789 515 A CB -0.547 18.443 19.000 -0.017 0.000 1.025 515 A HN 0.860 nan 8.150 nan 0.000 0.490 516 T N 2.030 116.559 114.554 -0.041 0.000 2.888 516 T HA 0.363 4.713 4.350 -0.001 0.000 0.301 516 T C -0.361 174.310 174.700 -0.048 0.000 1.001 516 T CA 0.561 62.623 62.100 -0.063 0.000 1.147 516 T CB 0.106 68.948 68.868 -0.044 0.000 0.931 516 T HN 0.666 nan 8.240 nan 0.000 0.541 517 D N 1.839 122.210 120.400 -0.048 0.000 2.891 517 D HA 0.084 4.724 4.640 -0.001 0.000 0.224 517 D C 1.046 177.327 176.300 -0.033 0.000 1.321 517 D CA -0.518 53.455 54.000 -0.046 0.000 0.929 517 D CB 1.444 42.219 40.800 -0.043 0.000 1.551 517 D HN 0.497 nan 8.370 nan 0.000 0.574 518 T N 0.047 114.577 114.554 -0.040 0.000 3.155 518 T HA -0.075 4.275 4.350 -0.001 0.000 0.264 518 T C 1.268 175.960 174.700 -0.014 0.000 1.160 518 T CA 1.215 63.300 62.100 -0.025 0.000 1.075 518 T CB -0.236 68.603 68.868 -0.048 0.000 0.921 518 T HN 0.230 nan 8.240 nan 0.000 0.533 519 S N -0.519 115.170 115.700 -0.020 0.000 2.556 519 S HA 0.323 4.792 4.470 -0.001 0.000 0.216 519 S C 1.549 176.149 174.600 0.001 0.000 0.970 519 S CA -0.560 57.636 58.200 -0.007 0.000 0.912 519 S CB 0.096 63.287 63.200 -0.015 0.000 0.790 519 S HN 0.522 nan 8.310 nan 0.000 0.504 520 K N 0.642 121.042 120.400 -0.000 0.000 2.240 520 K HA 0.313 4.633 4.320 -0.001 0.000 0.202 520 K C -0.377 176.237 176.600 0.024 0.000 1.053 520 K CA 0.464 56.755 56.287 0.008 0.000 0.973 520 K CB 0.512 33.011 32.500 -0.000 0.000 0.924 520 K HN 0.168 nan 8.250 nan 0.000 0.477 521 V N 4.184 124.116 119.914 0.029 0.000 2.407 521 V HA 0.316 4.436 4.120 -0.001 0.000 0.291 521 V C -2.526 173.605 176.094 0.061 0.000 1.018 521 V CA -1.889 60.447 62.300 0.059 0.000 0.842 521 V CB 1.387 33.251 31.823 0.069 0.000 0.996 521 V HN 0.120 nan 8.190 nan 0.000 0.426 522 P HA 0.448 nan 4.420 nan 0.000 0.287 522 P C -0.589 176.769 177.300 0.097 0.000 1.279 522 P CA -0.485 62.658 63.100 0.071 0.000 0.867 522 P CB 1.025 32.765 31.700 0.066 0.000 1.127 523 N N -1.420 117.332 118.700 0.087 0.000 2.771 523 N HA -0.088 4.651 4.740 -0.001 0.000 0.249 523 N C -0.195 175.389 175.510 0.123 0.000 1.069 523 N CA 1.030 54.146 53.050 0.110 0.000 0.688 523 N CB -2.340 36.221 38.487 0.124 0.000 0.928 523 N HN 0.676 nan 8.380 nan 0.000 0.551 524 T N -3.037 111.583 114.554 0.110 0.000 2.909 524 T HA 0.574 4.923 4.350 -0.001 0.000 0.286 524 T C 0.812 175.595 174.700 0.140 0.000 1.002 524 T CA -0.563 61.603 62.100 0.110 0.000 1.074 524 T CB 2.010 70.936 68.868 0.097 0.000 0.984 524 T HN 0.111 nan 8.240 nan 0.000 0.495 525 S N 1.042 116.754 115.700 0.021 0.000 2.596 525 S HA 0.543 5.013 4.470 -0.001 0.000 0.260 525 S C 0.840 175.264 174.600 -0.292 0.000 1.336 525 S CA -0.512 57.601 58.200 -0.145 0.000 0.993 525 S CB 0.089 63.057 63.200 -0.386 0.000 0.923 525 S HN 1.124 nan 8.310 nan 0.000 0.567 526 A N 1.179 123.401 122.820 -0.996 0.000 2.386 526 A HA 0.427 4.747 4.320 -0.001 0.000 0.248 526 A C 0.311 177.774 177.584 -0.202 0.000 1.082 526 A CA -0.366 51.086 52.037 -0.975 0.000 0.789 526 A CB -0.135 18.160 19.000 -1.174 0.000 1.025 526 A HN 0.668 nan 8.150 nan 0.000 0.490 527 T N 1.744 116.242 114.554 -0.093 0.000 2.738 527 T HA 0.546 4.896 4.350 -0.001 0.000 0.294 527 T C 0.223 174.892 174.700 -0.052 0.000 0.914 527 T CA 0.892 62.976 62.100 -0.026 0.000 1.052 527 T CB -0.269 68.573 68.868 -0.043 0.000 0.897 527 T HN 1.395 nan 8.240 nan 0.000 0.522 528 A N 2.414 125.203 122.820 -0.053 0.000 2.438 528 A HA 0.819 5.139 4.320 -0.001 0.000 0.301 528 A C 0.162 177.455 177.584 -0.485 0.000 1.101 528 A CA -0.325 51.592 52.037 -0.200 0.000 0.621 528 A CB -0.075 18.829 19.000 -0.161 0.000 1.350 528 A HN 1.734 nan 8.150 nan 0.000 0.496 529 A N -0.378 122.113 122.820 -0.549 0.000 2.930 529 A HA 0.198 4.518 4.320 -0.001 0.000 0.273 529 A C 1.103 178.462 177.584 -0.375 0.000 1.435 529 A CA 1.586 53.240 52.037 -0.638 0.000 0.780 529 A CB -2.683 15.550 19.000 -1.279 0.000 1.034 529 A HN 2.678 nan 8.150 nan 0.000 0.562 530 S N -2.269 113.280 115.700 -0.251 0.000 3.311 530 S HA -0.228 4.242 4.470 -0.001 0.000 0.373 530 S C 1.023 175.532 174.600 -0.151 0.000 0.945 530 S CA 1.551 59.648 58.200 -0.172 0.000 1.238 530 S CB -2.417 60.688 63.200 -0.158 0.000 0.893 530 S HN 2.446 nan 8.310 nan 0.000 0.478 531 S N -0.625 114.966 115.700 -0.182 0.000 2.511 531 S HA 0.394 4.863 4.470 -0.001 0.000 0.214 531 S C 2.067 176.648 174.600 -0.032 0.000 0.997 531 S CA 0.485 58.628 58.200 -0.096 0.000 0.908 531 S CB -0.262 62.873 63.200 -0.109 0.000 0.803 531 S HN 0.959 nan 8.310 nan 0.000 0.504 532 G N 2.469 111.243 108.800 -0.044 0.000 2.703 532 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.222 532 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.222 532 G C 1.600 176.478 174.900 -0.037 0.000 1.183 532 G CA 1.573 46.659 45.100 -0.023 0.000 0.775 532 G HN 0.890 nan 8.290 nan 0.000 0.615 533 A N -0.023 122.764 122.820 -0.056 0.000 1.911 533 A HA 0.147 4.467 4.320 -0.001 0.000 0.212 533 A C 2.089 179.619 177.584 -0.091 0.000 1.189 533 A CA 1.763 53.752 52.037 -0.081 0.000 0.639 533 A CB -0.331 18.631 19.000 -0.063 0.000 0.839 533 A HN 0.277 nan 8.150 nan 0.000 0.449 534 D N 0.066 120.431 120.400 -0.058 0.000 2.126 534 D HA -0.207 4.432 4.640 -0.001 0.000 0.190 534 D C 2.056 178.240 176.300 -0.193 0.000 1.001 534 D CA 2.020 55.973 54.000 -0.079 0.000 0.841 534 D CB -0.239 40.570 40.800 0.014 0.000 0.949 534 D HN 0.511 nan 8.370 nan 0.000 0.446 535 M N -0.435 119.086 119.600 -0.131 0.000 2.276 535 M HA -0.000 4.479 4.480 -0.001 0.000 0.262 535 M C 1.883 178.052 176.300 -0.217 0.000 1.098 535 M CA 0.637 55.823 55.300 -0.190 0.000 1.167 535 M CB -0.286 32.337 32.600 0.039 0.000 1.337 535 M HN -0.048 nan 8.290 nan 0.000 0.446 536 N N 1.014 119.640 118.700 -0.123 0.000 2.149 536 N HA -0.128 4.612 4.740 -0.001 0.000 0.188 536 N C 1.836 177.230 175.510 -0.192 0.000 1.019 536 N CA 1.719 54.694 53.050 -0.124 0.000 0.857 536 N CB -0.539 37.878 38.487 -0.116 0.000 0.997 536 N HN 0.454 nan 8.380 nan 0.000 0.426 537 G N 2.583 111.258 108.800 -0.208 0.000 2.631 537 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.219 537 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.219 537 G C 1.541 176.316 174.900 -0.209 0.000 1.214 537 G CA 1.129 46.122 45.100 -0.178 0.000 0.785 537 G HN 0.109 nan 8.290 nan 0.000 0.596 538 M N 1.274 120.655 119.600 -0.365 0.000 2.088 538 M HA -0.117 4.362 4.480 -0.001 0.000 0.256 538 M C 3.036 179.220 176.300 -0.192 0.000 1.071 538 M CA 1.540 56.584 55.300 -0.428 0.000 1.097 538 M CB -1.645 30.299 32.600 -1.094 0.000 1.315 538 M HN 0.350 nan 8.290 nan 0.000 0.406 539 A N -0.421 122.314 122.820 -0.142 0.000 1.940 539 A HA -0.091 4.229 4.320 -0.001 0.000 0.219 539 A C 2.467 180.046 177.584 -0.009 0.000 1.176 539 A CA 1.977 54.004 52.037 -0.017 0.000 0.631 539 A CB -1.010 17.991 19.000 0.002 0.000 0.814 539 A HN 0.333 nan 8.150 nan 0.000 0.446 540 V N 0.333 120.220 119.914 -0.045 0.000 2.295 540 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 540 V C 2.535 178.617 176.094 -0.020 0.000 1.049 540 V CA 2.446 64.730 62.300 -0.026 0.000 1.024 540 V CB -0.748 31.038 31.823 -0.061 0.000 0.648 540 V HN 0.761 nan 8.190 nan 0.000 0.447 541 K N 0.660 121.036 120.400 -0.040 0.000 2.063 541 K HA -0.278 4.041 4.320 -0.001 0.000 0.208 541 K C 1.881 178.465 176.600 -0.026 0.000 1.048 541 K CA 2.214 58.481 56.287 -0.033 0.000 0.928 541 K CB -0.423 32.019 32.500 -0.096 0.000 0.713 541 K HN 0.488 nan 8.250 nan 0.000 0.442 542 D N -0.132 120.260 120.400 -0.012 0.000 2.123 542 D HA -0.138 4.502 4.640 -0.001 0.000 0.196 542 D C 1.688 178.001 176.300 0.022 0.000 0.992 542 D CA 1.612 55.625 54.000 0.022 0.000 0.833 542 D CB -0.140 40.703 40.800 0.072 0.000 0.954 542 D HN 0.368 nan 8.370 nan 0.000 0.455 543 A N -0.433 122.401 122.820 0.023 0.000 1.873 543 A HA -0.131 4.188 4.320 -0.001 0.000 0.215 543 A C 2.611 180.191 177.584 -0.007 0.000 1.186 543 A CA 1.433 53.480 52.037 0.016 0.000 0.616 543 A CB -0.996 18.017 19.000 0.022 0.000 0.823 543 A HN 0.491 nan 8.150 nan 0.000 0.442 544 C N -0.447 118.845 119.300 -0.014 0.000 2.411 544 C HA -0.094 4.366 4.460 -0.001 0.000 0.279 544 C C 2.598 177.558 174.990 -0.049 0.000 1.288 544 C CA 1.132 60.130 59.018 -0.032 0.000 1.764 544 C CB -1.368 26.355 27.740 -0.030 0.000 1.974 544 C HN 0.663 nan 8.230 nan 0.000 0.498 545 E N 0.299 120.478 120.200 -0.034 0.000 2.077 545 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 545 E C 2.167 178.746 176.600 -0.035 0.000 0.989 545 E CA 1.667 58.044 56.400 -0.039 0.000 0.800 545 E CB -0.217 29.469 29.700 -0.023 0.000 0.746 545 E HN 0.606 nan 8.360 nan 0.000 0.452 546 T N 1.526 116.069 114.554 -0.019 0.000 2.746 546 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 546 T C 1.950 176.632 174.700 -0.030 0.000 1.039 546 T CA 0.881 62.973 62.100 -0.014 0.000 1.142 546 T CB -0.208 68.658 68.868 -0.004 0.000 0.866 546 T HN 0.050 nan 8.240 nan 0.000 0.444 547 L N 0.576 121.774 121.223 -0.042 0.000 1.961 547 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 547 L C 2.874 179.692 176.870 -0.087 0.000 1.072 547 L CA 1.512 56.320 54.840 -0.053 0.000 0.749 547 L CB -0.591 41.441 42.059 -0.046 0.000 0.889 547 L HN 0.107 nan 8.230 nan 0.000 0.432 548 R N 0.360 120.765 120.500 -0.159 0.000 2.140 548 R HA -0.236 4.104 4.340 -0.001 0.000 0.250 548 R C 2.107 178.316 176.300 -0.153 0.000 1.150 548 R CA 2.003 57.903 56.100 -0.334 0.000 0.966 548 R CB -0.793 29.277 30.300 -0.383 0.000 0.869 548 R HN 0.519 nan 8.270 nan 0.000 0.445 549 G N 0.245 109.006 108.800 -0.064 0.000 2.442 549 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 549 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 549 G C 1.532 176.454 174.900 0.037 0.000 1.141 549 G CA 0.714 45.818 45.100 0.007 0.000 0.763 549 G HN 0.366 nan 8.290 nan 0.000 0.554 550 R N -0.395 120.114 120.500 0.015 0.000 2.115 550 R HA 0.187 4.527 4.340 -0.001 0.000 0.226 550 R C 2.574 178.926 176.300 0.086 0.000 1.100 550 R CA 0.420 56.541 56.100 0.034 0.000 0.980 550 R CB -0.284 30.014 30.300 -0.004 0.000 0.875 550 R HN 0.331 nan 8.270 nan 0.000 0.445 551 L N -0.083 121.194 121.223 0.091 0.000 2.027 551 L HA -0.126 4.214 4.340 -0.001 0.000 0.206 551 L C 2.655 179.718 176.870 0.322 0.000 1.074 551 L CA 1.253 56.221 54.840 0.213 0.000 0.745 551 L CB -0.643 41.600 42.059 0.307 0.000 0.898 551 L HN 0.230 nan 8.230 nan 0.000 0.433 552 A N 0.602 123.609 122.820 0.312 0.000 1.877 552 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 552 A C 2.430 180.116 177.584 0.170 0.000 1.186 552 A CA 1.776 53.992 52.037 0.297 0.000 0.620 552 A CB -1.403 17.767 19.000 0.283 0.000 0.822 552 A HN 0.437 nan 8.150 nan 0.000 0.443 553 G N -0.733 108.154 108.800 0.145 0.000 2.574 553 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.220 553 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.220 553 G C 1.477 176.445 174.900 0.114 0.000 1.173 553 G CA 1.486 46.650 45.100 0.106 0.000 0.772 553 G HN 0.554 nan 8.290 nan 0.000 0.585 554 F N 1.191 121.138 119.950 -0.004 0.000 2.051 554 F HA -0.068 4.458 4.527 -0.001 0.000 0.296 554 F C 2.718 178.478 175.800 -0.066 0.000 1.122 554 F CA 1.731 59.708 58.000 -0.039 0.000 1.201 554 F CB -0.704 38.265 39.000 -0.051 0.000 0.978 554 F HN 0.003 nan 8.300 nan 0.000 0.472 555 V N 0.623 120.423 119.914 -0.191 0.000 2.568 555 V HA -0.301 3.818 4.120 -0.001 0.000 0.253 555 V C 2.593 178.511 176.094 -0.294 0.000 1.072 555 V CA 1.663 63.711 62.300 -0.421 0.000 1.084 555 V CB -1.361 30.313 31.823 -0.248 0.000 0.676 555 V HN 0.569 nan 8.190 nan 0.000 0.469 556 A N -0.238 122.497 122.820 -0.141 0.000 1.854 556 A HA -0.007 4.313 4.320 -0.001 0.000 0.214 556 A C 2.462 179.977 177.584 -0.115 0.000 1.192 556 A CA 1.640 53.625 52.037 -0.087 0.000 0.611 556 A CB -0.905 18.083 19.000 -0.020 0.000 0.832 556 A HN 0.551 nan 8.150 nan 0.000 0.442 557 A N -0.320 122.430 122.820 -0.117 0.000 1.948 557 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 557 A C 2.305 179.786 177.584 -0.173 0.000 1.177 557 A CA 1.952 53.923 52.037 -0.110 0.000 0.636 557 A CB -0.562 18.391 19.000 -0.078 0.000 0.815 557 A HN 0.505 nan 8.150 nan 0.000 0.449 558 R N -0.293 120.015 120.500 -0.319 0.000 2.062 558 R HA -0.081 4.259 4.340 -0.001 0.000 0.229 558 R C 0.425 176.604 176.300 -0.203 0.000 1.128 558 R CA 1.500 57.392 56.100 -0.347 0.000 0.960 558 R CB -0.125 29.779 30.300 -0.661 0.000 0.855 558 R HN 0.461 nan 8.270 nan 0.000 0.432 559 E N 0.305 120.399 120.200 -0.176 0.000 2.423 559 E HA 0.133 4.483 4.350 -0.001 0.000 0.198 559 E C -0.094 176.484 176.600 -0.037 0.000 1.038 559 E CA 0.249 56.612 56.400 -0.061 0.000 1.011 559 E CB 0.326 30.036 29.700 0.017 0.000 1.118 559 E HN 0.503 nan 8.360 nan 0.000 0.451 560 G N 2.024 110.790 108.800 -0.057 0.000 2.712 560 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.243 560 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.243 560 G C 0.345 175.234 174.900 -0.019 0.000 0.118 560 G CA 0.422 45.502 45.100 -0.035 0.000 1.170 560 G HN 0.747 nan 8.290 nan 0.000 0.560 561 C N 0.422 119.713 119.300 -0.015 0.000 2.646 561 C HA 0.676 5.135 4.460 -0.001 0.000 0.225 561 C C 0.271 175.261 174.990 0.000 0.000 1.045 561 C CA -0.130 58.886 59.018 -0.003 0.000 1.111 561 C CB 0.116 27.858 27.740 0.004 0.000 1.314 561 C HN 2.906 nan 8.230 nan 0.000 0.457 562 A N 0.924 123.750 122.820 0.010 0.000 2.312 562 A HA 0.900 5.220 4.320 -0.001 0.000 0.328 562 A C 1.199 178.801 177.584 0.031 0.000 1.158 562 A CA 0.706 52.754 52.037 0.018 0.000 0.821 562 A CB 1.155 20.167 19.000 0.020 0.000 1.170 562 A HN 2.687 nan 8.150 nan 0.000 0.490 563 A N 1.853 124.697 122.820 0.040 0.000 1.873 563 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 563 A C 1.964 179.598 177.584 0.083 0.000 1.193 563 A CA 2.090 54.167 52.037 0.066 0.000 0.629 563 A CB -0.622 18.418 19.000 0.066 0.000 0.826 563 A HN 1.032 nan 8.150 nan 0.000 0.447 564 R N -0.783 119.756 120.500 0.066 0.000 2.357 564 R HA 0.002 4.341 4.340 -0.001 0.000 0.202 564 R C -0.211 176.130 176.300 0.068 0.000 1.047 564 R CA 1.384 57.527 56.100 0.071 0.000 1.034 564 R CB -0.306 30.027 30.300 0.054 0.000 0.875 564 R HN 0.283 nan 8.270 nan 0.000 0.473 565 D N 0.741 121.176 120.400 0.058 0.000 2.424 565 D HA 0.112 4.752 4.640 -0.001 0.000 0.220 565 D C -0.403 175.926 176.300 0.049 0.000 1.150 565 D CA -0.045 53.985 54.000 0.049 0.000 0.831 565 D CB 0.862 41.682 40.800 0.034 0.000 0.981 565 D HN 0.004 nan 8.370 nan 0.000 0.500 566 V N 1.427 121.382 119.914 0.068 0.000 2.607 566 V HA 0.352 4.471 4.120 -0.001 0.000 0.289 566 V C 0.497 176.604 176.094 0.022 0.000 1.053 566 V CA -0.372 61.942 62.300 0.023 0.000 0.996 566 V CB 1.874 33.719 31.823 0.038 0.000 0.995 566 V HN -0.059 nan 8.190 nan 0.000 0.476 567 I N 3.894 124.409 120.570 -0.092 0.000 2.499 567 I HA 0.426 4.596 4.170 -0.001 0.000 0.288 567 I C -1.173 174.881 176.117 -0.105 0.000 1.048 567 I CA -0.177 61.126 61.300 0.005 0.000 1.062 567 I CB 1.982 40.004 38.000 0.037 0.000 1.238 567 I HN 0.418 nan 8.210 nan 0.000 0.426 568 F N 5.005 125.020 119.950 0.109 0.000 2.385 568 F HA 0.486 5.012 4.527 -0.001 0.000 0.360 568 F C 0.185 176.031 175.800 0.078 0.000 1.122 568 F CA -0.223 57.853 58.000 0.126 0.000 1.090 568 F CB 0.840 39.924 39.000 0.139 0.000 1.150 568 F HN 0.349 nan 8.300 nan 0.000 0.472 569 D N 2.027 122.541 120.400 0.190 0.000 2.706 569 D HA 0.361 5.001 4.640 -0.001 0.000 0.225 569 D C -0.382 175.962 176.300 0.073 0.000 1.241 569 D CA -0.157 53.911 54.000 0.114 0.000 0.784 569 D CB 2.117 42.968 40.800 0.084 0.000 1.521 569 D HN 0.652 nan 8.370 nan 0.000 0.461 570 A N 1.730 124.572 122.820 0.037 0.000 2.704 570 A HA 0.032 4.352 4.320 -0.001 0.000 0.299 570 A C 1.395 178.998 177.584 0.032 0.000 1.507 570 A CA 2.118 54.166 52.037 0.019 0.000 0.776 570 A CB -2.252 16.759 19.000 0.019 0.000 1.027 570 A HN 1.911 nan 8.150 nan 0.000 0.475 571 G N -2.613 106.202 108.800 0.025 0.000 2.166 571 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.260 571 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.260 571 G C -0.111 174.889 174.900 0.167 0.000 0.986 571 G CA 1.037 46.170 45.100 0.055 0.000 0.683 571 G HN 1.480 nan 8.290 nan 0.000 0.527 572 Q N -0.733 119.161 119.800 0.157 0.000 2.375 572 Q HA 0.692 5.032 4.340 -0.001 0.000 0.271 572 Q C -0.464 175.615 176.000 0.132 0.000 1.074 572 Q CA -0.730 55.165 55.803 0.155 0.000 0.808 572 Q CB 2.796 31.585 28.738 0.085 0.000 1.327 572 Q HN 0.218 nan 8.270 nan 0.000 0.441 573 V N 1.653 121.648 119.914 0.136 0.000 2.581 573 V HA 0.477 4.596 4.120 -0.001 0.000 0.303 573 V C -0.593 175.577 176.094 0.126 0.000 1.041 573 V CA -0.528 61.746 62.300 -0.043 0.000 0.907 573 V CB 2.053 33.785 31.823 -0.152 0.000 0.994 573 V HN 0.687 nan 8.190 nan 0.000 0.442 574 Q N 1.878 121.685 119.800 0.010 0.000 2.284 574 Q HA 0.787 5.127 4.340 -0.001 0.000 0.269 574 Q C -1.257 174.793 176.000 0.082 0.000 1.026 574 Q CA -0.388 55.457 55.803 0.070 0.000 0.831 574 Q CB 2.330 31.067 28.738 -0.002 0.000 1.322 574 Q HN 1.029 nan 8.270 nan 0.000 0.419 575 A N 1.308 124.222 122.820 0.157 0.000 2.582 575 A HA 0.550 4.869 4.320 -0.001 0.000 0.297 575 A C -0.396 177.252 177.584 0.107 0.000 1.059 575 A CA -0.295 51.819 52.037 0.128 0.000 0.705 575 A CB 1.293 20.373 19.000 0.134 0.000 1.279 575 A HN 0.769 nan 8.150 nan 0.000 0.404 576 S N 0.510 116.241 115.700 0.053 0.000 3.491 576 S HA -0.055 4.415 4.470 -0.001 0.000 0.371 576 S C 1.797 176.394 174.600 -0.006 0.000 0.980 576 S CA 2.068 60.284 58.200 0.027 0.000 1.204 576 S CB -1.495 61.729 63.200 0.039 0.000 0.915 576 S HN 2.843 nan 8.310 nan 0.000 0.482 577 G N -0.504 108.279 108.800 -0.028 0.000 2.302 577 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.263 577 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.263 577 G C 0.116 174.930 174.900 -0.143 0.000 0.995 577 G CA 1.097 46.156 45.100 -0.069 0.000 0.622 577 G HN 0.703 nan 8.290 nan 0.000 0.538 578 K N 0.282 120.553 120.400 -0.215 0.000 2.209 578 K HA 0.750 5.070 4.320 -0.001 0.000 0.238 578 K C 0.419 176.626 176.600 -0.655 0.000 1.028 578 K CA 0.046 56.045 56.287 -0.479 0.000 0.935 578 K CB 1.384 33.513 32.500 -0.619 0.000 1.162 578 K HN 0.650 nan 8.250 nan 0.000 0.485 579 S N -1.021 114.104 115.700 -0.959 0.000 2.570 579 S HA 0.582 5.052 4.470 -0.001 0.000 0.270 579 S C -1.520 172.647 174.600 -0.720 0.000 1.149 579 S CA -1.066 56.733 58.200 -0.668 0.000 0.837 579 S CB 1.028 64.076 63.200 -0.253 0.000 1.124 579 S HN 0.637 nan 8.310 nan 0.000 0.465 580 W N 0.248 121.534 121.300 -0.022 0.000 3.060 580 W HA 0.529 5.188 4.660 -0.001 0.000 0.346 580 W C 0.007 176.544 176.519 0.031 0.000 1.194 580 W CA -1.123 56.225 57.345 0.004 0.000 1.105 580 W CB 1.646 31.109 29.460 0.005 0.000 1.487 580 W HN 0.578 nan 8.180 nan 0.000 0.592 581 R N 0.716 121.414 120.500 0.331 0.000 2.459 581 R HA 0.152 4.492 4.340 -0.001 0.000 0.281 581 R C 1.066 177.537 176.300 0.285 0.000 1.050 581 R CA -0.547 55.705 56.100 0.254 0.000 1.055 581 R CB 0.828 31.244 30.300 0.193 0.000 1.045 581 R HN 0.367 nan 8.270 nan 0.000 0.495 582 F N 2.666 122.704 119.950 0.147 0.000 2.063 582 F HA -0.341 4.185 4.527 -0.001 0.000 0.298 582 F C 2.105 177.979 175.800 0.124 0.000 1.109 582 F CA 2.329 60.424 58.000 0.158 0.000 1.212 582 F CB -0.307 38.786 39.000 0.156 0.000 0.973 582 F HN 0.718 nan 8.300 nan 0.000 0.480 583 A N -0.115 122.851 122.820 0.244 0.000 1.892 583 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 583 A C 2.142 179.727 177.584 0.003 0.000 1.188 583 A CA 2.161 54.255 52.037 0.094 0.000 0.631 583 A CB -1.032 18.050 19.000 0.136 0.000 0.822 583 A HN 0.606 nan 8.150 nan 0.000 0.447 584 E N -0.643 119.593 120.200 0.061 0.000 2.077 584 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 584 E C 1.909 178.481 176.600 -0.047 0.000 0.989 584 E CA 1.008 57.435 56.400 0.046 0.000 0.800 584 E CB -0.245 29.538 29.700 0.137 0.000 0.746 584 E HN 0.527 nan 8.360 nan 0.000 0.452 585 I N 0.882 121.393 120.570 -0.098 0.000 2.208 585 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 585 I C 2.408 178.419 176.117 -0.176 0.000 1.097 585 I CA 1.102 62.309 61.300 -0.155 0.000 1.363 585 I CB -1.049 36.860 38.000 -0.152 0.000 1.051 585 I HN 0.004 nan 8.210 nan 0.000 0.413 586 V N 1.177 120.928 119.914 -0.272 0.000 2.358 586 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 586 V C 2.802 178.813 176.094 -0.138 0.000 1.047 586 V CA 1.608 63.752 62.300 -0.261 0.000 1.035 586 V CB -1.168 30.472 31.823 -0.305 0.000 0.658 586 V HN 0.447 nan 8.190 nan 0.000 0.452 587 A N 0.249 123.025 122.820 -0.074 0.000 1.883 587 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 587 A C 2.468 180.059 177.584 0.012 0.000 1.186 587 A CA 2.332 54.375 52.037 0.009 0.000 0.624 587 A CB -0.934 18.082 19.000 0.027 0.000 0.822 587 A HN 0.575 nan 8.150 nan 0.000 0.444 588 A N -0.113 122.686 122.820 -0.035 0.000 1.865 588 A HA 0.071 4.390 4.320 -0.001 0.000 0.217 588 A C 2.545 179.942 177.584 -0.312 0.000 1.191 588 A CA 2.526 54.545 52.037 -0.030 0.000 0.623 588 A CB -1.197 17.900 19.000 0.161 0.000 0.826 588 A HN 1.217 nan 8.150 nan 0.000 0.444 589 A N -1.630 120.813 122.820 -0.629 0.000 1.978 589 A HA -0.127 4.193 4.320 -0.001 0.000 0.220 589 A C 2.109 179.439 177.584 -0.423 0.000 1.170 589 A CA 1.815 53.258 52.037 -0.990 0.000 0.636 589 A CB -0.796 17.698 19.000 -0.843 0.000 0.810 589 A HN 0.816 nan 8.150 nan 0.000 0.448 590 Y N 0.309 120.423 120.300 -0.309 0.000 2.114 590 Y HA -0.241 4.309 4.550 -0.001 0.000 0.284 590 Y C 2.295 178.107 175.900 -0.147 0.000 1.143 590 Y CA 2.145 60.133 58.100 -0.186 0.000 1.135 590 Y CB -0.368 38.020 38.460 -0.120 0.000 0.980 590 Y HN 0.233 nan 8.280 nan 0.000 0.499 591 M N 0.196 119.609 119.600 -0.313 0.000 2.149 591 M HA -0.146 4.334 4.480 -0.001 0.000 0.261 591 M C 2.239 178.369 176.300 -0.283 0.000 1.064 591 M CA 1.690 56.782 55.300 -0.347 0.000 1.102 591 M CB -1.727 30.802 32.600 -0.118 0.000 1.369 591 M HN 0.479 nan 8.290 nan 0.000 0.408 592 A N -0.268 122.411 122.820 -0.235 0.000 2.239 592 A HA 0.017 4.337 4.320 -0.001 0.000 0.209 592 A C 0.751 178.225 177.584 -0.184 0.000 1.171 592 A CA 0.074 52.019 52.037 -0.153 0.000 0.768 592 A CB -0.545 18.419 19.000 -0.059 0.000 0.790 592 A HN 0.580 nan 8.150 nan 0.000 0.478 593 R N -1.455 118.888 120.500 -0.261 0.000 3.261 593 R HA -0.136 4.204 4.340 -0.001 0.000 0.257 593 R C -1.098 175.120 176.300 -0.136 0.000 1.014 593 R CA 0.728 56.712 56.100 -0.194 0.000 0.681 593 R CB -2.057 28.157 30.300 -0.144 0.000 1.155 593 R HN 0.557 nan 8.270 nan 0.000 0.424 594 I N 0.530 121.003 120.570 -0.162 0.000 2.362 594 I HA 0.104 4.273 4.170 -0.001 0.000 0.289 594 I C 0.931 176.995 176.117 -0.087 0.000 0.994 594 I CA -0.505 60.718 61.300 -0.128 0.000 1.158 594 I CB 1.886 39.765 38.000 -0.202 0.000 1.315 594 I HN 0.129 nan 8.210 nan 0.000 0.451 595 S N 6.594 122.261 115.700 -0.055 0.000 2.573 595 S HA 0.098 4.567 4.470 -0.001 0.000 0.297 595 S C 0.294 174.859 174.600 -0.058 0.000 1.280 595 S CA 0.105 58.280 58.200 -0.042 0.000 1.061 595 S CB 0.138 63.316 63.200 -0.036 0.000 0.812 595 S HN 0.490 nan 8.310 nan 0.000 0.500 596 L N 4.477 125.662 121.223 -0.063 0.000 3.096 596 L HA 0.363 4.702 4.340 -0.001 0.000 0.247 596 L C 0.261 177.068 176.870 -0.104 0.000 1.321 596 L CA -0.371 54.417 54.840 -0.087 0.000 1.044 596 L CB 0.177 42.174 42.059 -0.103 0.000 1.434 596 L HN 0.549 nan 8.230 nan 0.000 0.533 597 S N 0.633 116.285 115.700 -0.080 0.000 2.541 597 S HA 0.915 5.384 4.470 -0.001 0.000 0.280 597 S C -0.958 173.612 174.600 -0.049 0.000 1.112 597 S CA -0.171 57.980 58.200 -0.082 0.000 0.925 597 S CB 2.229 65.382 63.200 -0.078 0.000 1.067 597 S HN 0.333 nan 8.310 nan 0.000 0.479 598 A N 2.146 124.943 122.820 -0.038 0.000 2.606 598 A HA 0.840 5.160 4.320 -0.001 0.000 0.293 598 A C -0.209 177.378 177.584 0.003 0.000 1.082 598 A CA -0.495 51.534 52.037 -0.015 0.000 0.685 598 A CB 1.168 20.162 19.000 -0.011 0.000 1.284 598 A HN 1.224 nan 8.150 nan 0.000 0.408 599 T N -1.147 113.420 114.554 0.021 0.000 2.948 599 T HA 0.859 5.209 4.350 -0.001 0.000 0.285 599 T C 0.251 174.994 174.700 0.070 0.000 1.019 599 T CA -0.170 61.959 62.100 0.048 0.000 1.013 599 T CB 1.812 70.715 68.868 0.058 0.000 1.117 599 T HN 1.896 nan 8.240 nan 0.000 0.533 600 G N -0.334 108.533 108.800 0.111 0.000 2.619 600 G HA2 0.686 4.645 3.960 -0.001 0.000 0.296 600 G HA3 0.686 4.645 3.960 -0.001 0.000 0.296 600 G C -2.133 172.921 174.900 0.257 0.000 1.334 600 G CA -0.899 44.287 45.100 0.144 0.000 0.934 600 G HN 0.805 nan 8.290 nan 0.000 0.476 601 F N 0.468 120.463 119.950 0.075 0.000 2.665 601 F HA 0.729 5.256 4.527 -0.001 0.000 0.308 601 F C -2.012 173.888 175.800 0.166 0.000 1.112 601 F CA -1.173 56.886 58.000 0.099 0.000 0.972 601 F CB 2.029 41.066 39.000 0.060 0.000 1.295 601 F HN 0.675 nan 8.300 nan 0.000 0.440 602 Y N 3.307 123.037 120.300 -0.950 0.000 2.571 602 Y HA 0.802 5.352 4.550 -0.001 0.000 0.341 602 Y C -1.926 173.638 175.900 -0.561 0.000 1.076 602 Y CA -0.731 57.064 58.100 -0.508 0.000 1.029 602 Y CB 2.053 40.367 38.460 -0.243 0.000 1.308 602 Y HN 0.932 nan 8.280 nan 0.000 0.461 603 A N 3.142 125.215 122.820 -1.246 0.000 2.375 603 A HA 0.557 4.876 4.320 -0.001 0.000 0.295 603 A C -1.046 176.049 177.584 -0.816 0.000 1.066 603 A CA -0.699 50.934 52.037 -0.672 0.000 0.722 603 A CB 0.794 19.653 19.000 -0.235 0.000 1.206 603 A HN 0.684 nan 8.150 nan 0.000 0.435 604 T N 5.364 119.715 114.554 -0.340 0.000 2.888 604 T HA 0.413 4.762 4.350 -0.001 0.000 0.301 604 T C -1.797 172.841 174.700 -0.105 0.000 1.001 604 T CA -0.273 61.752 62.100 -0.126 0.000 1.147 604 T CB 0.373 69.292 68.868 0.086 0.000 0.931 604 T HN 0.640 nan 8.240 nan 0.000 0.541 605 P HA 0.292 nan 4.420 nan 0.000 0.293 605 P C -0.134 177.172 177.300 0.010 0.000 1.304 605 P CA -0.618 62.462 63.100 -0.033 0.000 0.767 605 P CB 0.638 32.324 31.700 -0.024 0.000 1.247 606 K N -2.306 118.101 120.400 0.012 0.000 3.363 606 K HA -0.169 4.151 4.320 -0.001 0.000 0.313 606 K C -0.045 176.567 176.600 0.020 0.000 1.259 606 K CA 0.744 57.043 56.287 0.020 0.000 0.942 606 K CB -2.172 30.345 32.500 0.028 0.000 1.229 606 K HN 0.380 nan 8.250 nan 0.000 0.440 607 L N 0.933 122.170 121.223 0.023 0.000 2.289 607 L HA 0.469 4.809 4.340 -0.001 0.000 0.285 607 L C 0.182 177.089 176.870 0.061 0.000 1.049 607 L CA -0.593 54.263 54.840 0.027 0.000 0.804 607 L CB 1.817 43.893 42.059 0.029 0.000 1.195 607 L HN 0.067 nan 8.230 nan 0.000 0.428 608 S N 3.701 119.454 115.700 0.089 0.000 2.570 608 S HA 0.675 5.145 4.470 -0.001 0.000 0.286 608 S C -2.050 172.698 174.600 0.248 0.000 1.143 608 S CA -0.651 57.630 58.200 0.135 0.000 0.921 608 S CB 1.136 64.378 63.200 0.070 0.000 1.108 608 S HN 0.685 nan 8.310 nan 0.000 0.456 609 W N 3.697 124.944 121.300 -0.089 0.000 3.161 609 W HA 0.519 5.179 4.660 -0.001 0.000 0.314 609 W C -2.578 173.876 176.519 -0.108 0.000 1.245 609 W CA -0.633 56.639 57.345 -0.120 0.000 1.191 609 W CB 0.437 29.784 29.460 -0.188 0.000 1.392 609 W HN 0.621 nan 8.180 nan 0.000 0.568 610 D N 2.890 123.048 120.400 -0.404 0.000 2.381 610 D HA 0.313 4.953 4.640 -0.001 0.000 0.235 610 D C 1.124 176.943 176.300 -0.802 0.000 1.068 610 D CA -0.320 53.330 54.000 -0.583 0.000 0.832 610 D CB 1.835 42.469 40.800 -0.277 0.000 1.101 610 D HN 0.491 nan 8.370 nan 0.000 0.515 611 R N 3.004 122.883 120.500 -1.035 0.000 2.080 611 R HA -0.090 4.250 4.340 -0.001 0.000 0.236 611 R C 1.807 178.048 176.300 -0.098 0.000 1.137 611 R CA 1.196 56.878 56.100 -0.698 0.000 0.943 611 R CB -0.022 30.026 30.300 -0.421 0.000 0.846 611 R HN 0.534 nan 8.270 nan 0.000 0.431 612 L N -0.305 120.857 121.223 -0.101 0.000 2.056 612 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 612 L C 2.581 179.487 176.870 0.059 0.000 1.078 612 L CA 1.300 56.174 54.840 0.057 0.000 0.749 612 L CB -0.363 41.697 42.059 0.001 0.000 0.901 612 L HN 0.175 nan 8.230 nan 0.000 0.433 613 R N 0.016 120.456 120.500 -0.100 0.000 2.193 613 R HA 0.041 4.380 4.340 -0.001 0.000 0.213 613 R C 1.194 177.298 176.300 -0.327 0.000 1.055 613 R CA 0.639 56.666 56.100 -0.121 0.000 0.995 613 R CB -0.086 30.150 30.300 -0.107 0.000 0.893 613 R HN 0.480 nan 8.270 nan 0.000 0.459 614 G N 1.403 109.809 108.800 -0.657 0.000 2.221 614 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.265 614 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.265 614 G C -0.261 174.342 174.900 -0.495 0.000 1.041 614 G CA 0.103 44.418 45.100 -1.309 0.000 0.807 614 G HN 0.209 nan 8.290 nan 0.000 0.502 615 Q N -0.972 118.703 119.800 -0.208 0.000 2.372 615 Q HA 0.740 5.080 4.340 -0.001 0.000 0.273 615 Q C 0.399 176.457 176.000 0.097 0.000 1.078 615 Q CA 0.274 56.057 55.803 -0.033 0.000 0.806 615 Q CB 2.261 30.972 28.738 -0.046 0.000 1.332 615 Q HN 1.463 nan 8.270 nan 0.000 0.435 616 G N 1.135 110.017 108.800 0.135 0.000 2.339 616 G HA2 0.040 4.000 3.960 -0.001 0.000 0.275 616 G HA3 0.040 4.000 3.960 -0.001 0.000 0.275 616 G C -1.571 173.398 174.900 0.115 0.000 1.323 616 G CA -0.892 44.303 45.100 0.158 0.000 0.927 616 G HN 0.315 nan 8.290 nan 0.000 0.486 617 R N 1.582 122.123 120.500 0.070 0.000 2.415 617 R HA 0.400 4.740 4.340 -0.001 0.000 0.292 617 R C -1.898 174.288 176.300 -0.190 0.000 1.295 617 R CA -1.672 54.410 56.100 -0.030 0.000 1.137 617 R CB 1.931 32.229 30.300 -0.003 0.000 1.135 617 R HN 0.350 nan 8.270 nan 0.000 0.560 618 P HA 0.010 nan 4.420 nan 0.000 0.230 618 P C -0.261 176.537 177.300 -0.837 0.000 1.168 618 P CA 0.523 62.969 63.100 -1.089 0.000 0.793 618 P CB 0.419 30.719 31.700 -2.333 0.000 0.851 619 F N -0.730 119.004 119.950 -0.360 0.000 2.522 619 F HA 0.265 4.792 4.527 -0.001 0.000 0.324 619 F C 1.582 177.193 175.800 -0.314 0.000 1.077 619 F CA -1.271 56.479 58.000 -0.417 0.000 0.944 619 F CB 1.400 39.986 39.000 -0.689 0.000 1.175 619 F HN -0.321 nan 8.300 nan 0.000 0.468 620 L N 2.746 123.951 121.223 -0.030 0.000 2.131 620 L HA 0.089 4.429 4.340 -0.001 0.000 0.206 620 L C -0.415 176.517 176.870 0.104 0.000 1.087 620 L CA 1.455 56.342 54.840 0.078 0.000 0.767 620 L CB -0.532 41.685 42.059 0.263 0.000 0.917 620 L HN 0.638 nan 8.230 nan 0.000 0.441 621 Y N -4.739 115.412 120.300 -0.249 0.000 2.677 621 Y HA 0.537 5.087 4.550 -0.001 0.000 0.334 621 Y C -1.362 174.230 175.900 -0.512 0.000 1.196 621 Y CA -2.393 55.532 58.100 -0.293 0.000 1.059 621 Y CB 0.060 38.466 38.460 -0.090 0.000 1.315 621 Y HN -0.174 nan 8.280 nan 0.000 0.455 622 F N 1.551 121.450 119.950 -0.084 0.000 2.432 622 F HA 0.851 5.378 4.527 -0.001 0.000 0.329 622 F C 0.319 175.926 175.800 -0.322 0.000 1.076 622 F CA -0.702 57.063 58.000 -0.392 0.000 1.018 622 F CB 2.044 40.699 39.000 -0.576 0.000 1.201 622 F HN 0.792 nan 8.300 nan 0.000 0.489 623 A N 2.344 125.047 122.820 -0.194 0.000 2.317 623 A HA 0.773 5.092 4.320 -0.001 0.000 0.327 623 A C -1.733 175.700 177.584 -0.251 0.000 1.178 623 A CA -0.424 51.562 52.037 -0.085 0.000 0.817 623 A CB 0.368 19.368 19.000 -0.000 0.000 1.189 623 A HN 0.701 nan 8.150 nan 0.000 0.489 624 Y N 0.392 120.636 120.300 -0.094 0.000 2.630 624 Y HA 0.778 5.327 4.550 -0.001 0.000 0.337 624 Y C 0.833 176.623 175.900 -0.183 0.000 1.051 624 Y CA -0.041 57.980 58.100 -0.130 0.000 1.121 624 Y CB 2.609 40.932 38.460 -0.230 0.000 1.299 624 Y HN 1.050 nan 8.280 nan 0.000 0.498 625 G N -0.479 108.418 108.800 0.161 0.000 2.506 625 G HA2 0.699 4.659 3.960 -0.001 0.000 0.292 625 G HA3 0.699 4.659 3.960 -0.001 0.000 0.292 625 G C -2.199 172.754 174.900 0.089 0.000 1.425 625 G CA -0.296 44.949 45.100 0.241 0.000 0.788 625 G HN 0.906 nan 8.290 nan 0.000 0.490 626 A N -1.345 121.518 122.820 0.070 0.000 2.594 626 A HA 1.063 5.382 4.320 -0.001 0.000 0.295 626 A C -0.576 177.025 177.584 0.028 0.000 1.071 626 A CA 0.167 52.219 52.037 0.025 0.000 0.685 626 A CB 1.499 20.479 19.000 -0.033 0.000 1.285 626 A HN 2.513 nan 8.150 nan 0.000 0.405 627 A N 0.781 123.616 122.820 0.025 0.000 2.486 627 A HA 0.798 5.117 4.320 -0.001 0.000 0.300 627 A C -1.304 176.268 177.584 -0.019 0.000 1.048 627 A CA -0.285 51.757 52.037 0.008 0.000 0.696 627 A CB 0.997 20.042 19.000 0.075 0.000 1.278 627 A HN 0.874 nan 8.150 nan 0.000 0.405 628 I N 2.015 122.546 120.570 -0.065 0.000 2.411 628 I HA 0.358 4.527 4.170 -0.001 0.000 0.284 628 I C -0.356 175.743 176.117 -0.029 0.000 1.012 628 I CA -0.004 61.243 61.300 -0.088 0.000 1.119 628 I CB 2.199 40.086 38.000 -0.190 0.000 1.261 628 I HN 0.633 nan 8.210 nan 0.000 0.448 629 T N 5.396 119.969 114.554 0.032 0.000 2.888 629 T HA 0.371 4.721 4.350 -0.001 0.000 0.284 629 T C -0.619 174.107 174.700 0.043 0.000 1.017 629 T CA -0.588 61.538 62.100 0.044 0.000 1.022 629 T CB 1.889 70.833 68.868 0.126 0.000 1.013 629 T HN 0.588 nan 8.240 nan 0.000 0.465 630 E N 1.960 122.164 120.200 0.008 0.000 2.248 630 E HA 0.665 5.015 4.350 -0.001 0.000 0.267 630 E C -1.124 175.447 176.600 -0.048 0.000 0.877 630 E CA -0.853 55.539 56.400 -0.013 0.000 0.759 630 E CB 1.477 31.162 29.700 -0.025 0.000 1.182 630 E HN 0.476 nan 8.360 nan 0.000 0.418 631 V N 0.159 120.036 119.914 -0.061 0.000 3.165 631 V HA 0.778 4.897 4.120 -0.001 0.000 0.309 631 V C -0.602 175.434 176.094 -0.096 0.000 1.267 631 V CA -0.801 61.454 62.300 -0.074 0.000 1.067 631 V CB 1.349 33.139 31.823 -0.055 0.000 1.082 631 V HN 0.583 nan 8.190 nan 0.000 0.451 632 V N -0.102 119.763 119.914 -0.082 0.000 2.841 632 V HA 0.829 4.949 4.120 -0.001 0.000 0.310 632 V C -0.447 175.628 176.094 -0.031 0.000 1.090 632 V CA -0.560 61.702 62.300 -0.064 0.000 0.930 632 V CB 1.446 33.231 31.823 -0.064 0.000 1.014 632 V HN 1.340 nan 8.190 nan 0.000 0.425 633 I N -0.332 120.232 120.570 -0.009 0.000 2.689 633 I HA 0.790 4.960 4.170 -0.001 0.000 0.299 633 I C -1.177 174.947 176.117 0.013 0.000 1.059 633 I CA -0.493 60.799 61.300 -0.013 0.000 1.055 633 I CB 2.320 40.299 38.000 -0.036 0.000 1.243 633 I HN 0.718 nan 8.210 nan 0.000 0.425 634 D N 4.470 124.871 120.400 0.002 0.000 2.428 634 D HA 0.265 4.905 4.640 -0.001 0.000 0.221 634 D C 0.841 177.138 176.300 -0.006 0.000 1.123 634 D CA -0.431 53.574 54.000 0.008 0.000 0.869 634 D CB 0.972 41.774 40.800 0.004 0.000 1.032 634 D HN 0.501 nan 8.370 nan 0.000 0.506 635 R N 2.730 123.227 120.500 -0.004 0.000 2.316 635 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 635 R C 1.216 177.505 176.300 -0.018 0.000 1.137 635 R CA 0.791 56.881 56.100 -0.017 0.000 1.012 635 R CB 0.034 30.324 30.300 -0.016 0.000 0.859 635 R HN 0.594 nan 8.270 nan 0.000 0.474 636 L N -1.007 120.208 121.223 -0.014 0.000 2.121 636 L HA -0.043 4.297 4.340 -0.001 0.000 0.200 636 L C 2.331 179.191 176.870 -0.016 0.000 1.077 636 L CA 1.541 56.372 54.840 -0.015 0.000 0.766 636 L CB -0.464 41.587 42.059 -0.013 0.000 0.931 636 L HN 0.215 nan 8.230 nan 0.000 0.452 637 T N -4.295 110.250 114.554 -0.015 0.000 3.022 637 T HA 0.259 4.608 4.350 -0.001 0.000 0.250 637 T C 1.421 176.108 174.700 -0.022 0.000 1.060 637 T CA 0.560 62.650 62.100 -0.017 0.000 1.013 637 T CB 0.866 69.724 68.868 -0.016 0.000 0.982 637 T HN 0.467 nan 8.240 nan 0.000 0.508 638 G N 1.259 110.045 108.800 -0.024 0.000 2.176 638 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.253 638 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.253 638 G C -0.101 174.781 174.900 -0.030 0.000 0.979 638 G CA 0.104 45.185 45.100 -0.031 0.000 0.641 638 G HN 0.662 nan 8.290 nan 0.000 0.530 639 E N 0.697 120.883 120.200 -0.024 0.000 2.458 639 E HA 0.375 4.724 4.350 -0.001 0.000 0.264 639 E C 0.655 177.240 176.600 -0.025 0.000 1.097 639 E CA 1.268 57.654 56.400 -0.024 0.000 0.973 639 E CB 0.196 29.887 29.700 -0.016 0.000 0.963 639 E HN 0.893 nan 8.360 nan 0.000 0.451 640 N N -0.231 118.451 118.700 -0.029 0.000 3.533 640 N HA 0.371 5.111 4.740 -0.001 0.000 0.229 640 N C -1.676 173.812 175.510 -0.036 0.000 1.418 640 N CA -1.049 51.982 53.050 -0.031 0.000 0.880 640 N CB 1.006 39.468 38.487 -0.041 0.000 1.415 640 N HN 0.499 nan 8.380 nan 0.000 0.491 641 R N -0.471 120.005 120.500 -0.039 0.000 2.728 641 R HA 0.505 4.845 4.340 -0.001 0.000 0.274 641 R C -1.701 174.569 176.300 -0.050 0.000 1.030 641 R CA -1.040 55.034 56.100 -0.043 0.000 0.876 641 R CB 0.681 30.961 30.300 -0.033 0.000 1.259 641 R HN 0.482 nan 8.270 nan 0.000 0.468 642 I N 2.513 123.052 120.570 -0.052 0.000 2.337 642 I HA 0.103 4.272 4.170 -0.001 0.000 0.291 642 I C 1.202 177.278 176.117 -0.069 0.000 1.046 642 I CA -0.414 60.852 61.300 -0.056 0.000 1.324 642 I CB 1.133 39.102 38.000 -0.051 0.000 1.409 642 I HN 0.512 nan 8.210 nan 0.000 0.494 643 L N 5.661 126.839 121.223 -0.075 0.000 2.168 643 L HA 0.187 4.526 4.340 -0.001 0.000 0.203 643 L C 1.007 177.829 176.870 -0.080 0.000 1.078 643 L CA 0.626 55.418 54.840 -0.080 0.000 0.780 643 L CB -0.056 41.940 42.059 -0.104 0.000 0.939 643 L HN 0.614 nan 8.230 nan 0.000 0.451 644 R N -0.946 119.502 120.500 -0.086 0.000 2.634 644 R HA 0.403 4.742 4.340 -0.001 0.000 0.263 644 R C -1.727 174.505 176.300 -0.113 0.000 1.060 644 R CA -0.411 55.633 56.100 -0.092 0.000 0.898 644 R CB 1.923 32.191 30.300 -0.054 0.000 1.253 644 R HN -0.225 nan 8.270 nan 0.000 0.461 645 T N 2.102 116.551 114.554 -0.175 0.000 2.893 645 T HA 0.417 4.766 4.350 -0.001 0.000 0.293 645 T C -1.641 172.979 174.700 -0.133 0.000 1.027 645 T CA -0.648 61.310 62.100 -0.237 0.000 0.988 645 T CB 1.741 70.219 68.868 -0.650 0.000 1.043 645 T HN 0.584 nan 8.240 nan 0.000 0.461 646 D N 1.387 121.722 120.400 -0.107 0.000 2.757 646 D HA 0.592 5.232 4.640 -0.001 0.000 0.249 646 D C -0.701 175.563 176.300 -0.060 0.000 1.168 646 D CA -0.368 53.606 54.000 -0.043 0.000 0.870 646 D CB 1.478 42.265 40.800 -0.021 0.000 1.411 646 D HN 0.354 nan 8.370 nan 0.000 0.525 647 I N 1.953 122.505 120.570 -0.029 0.000 2.689 647 I HA 0.493 4.663 4.170 -0.001 0.000 0.299 647 I C -1.264 174.872 176.117 0.032 0.000 1.059 647 I CA -1.171 60.118 61.300 -0.018 0.000 1.055 647 I CB 2.135 40.117 38.000 -0.031 0.000 1.243 647 I HN 0.172 nan 8.210 nan 0.000 0.425 648 L N 5.833 127.094 121.223 0.062 0.000 2.471 648 L HA 0.499 4.839 4.340 -0.001 0.000 0.263 648 L C -1.216 175.752 176.870 0.163 0.000 0.985 648 L CA -0.015 54.890 54.840 0.109 0.000 0.868 648 L CB 0.887 43.001 42.059 0.091 0.000 1.203 648 L HN 0.531 nan 8.230 nan 0.000 0.429 649 H N 1.777 120.887 119.070 0.067 0.000 2.616 649 H HA 0.597 5.153 4.556 -0.001 0.000 0.353 649 H C -1.281 174.125 175.328 0.129 0.000 1.170 649 H CA -0.566 55.521 56.048 0.065 0.000 1.212 649 H CB 1.824 31.621 29.762 0.058 0.000 1.653 649 H HN 0.671 nan 8.280 nan 0.000 0.537 650 D N 1.982 122.034 120.400 -0.579 0.000 2.473 650 D HA 0.340 4.980 4.640 -0.001 0.000 0.226 650 D C -0.598 175.614 176.300 -0.147 0.000 1.089 650 D CA -0.449 53.456 54.000 -0.158 0.000 0.883 650 D CB 0.384 41.121 40.800 -0.106 0.000 1.029 650 D HN 0.591 nan 8.370 nan 0.000 0.517 651 A N 3.398 126.233 122.820 0.025 0.000 2.684 651 A HA 0.650 4.970 4.320 -0.001 0.000 0.288 651 A C 1.283 178.903 177.584 0.060 0.000 1.337 651 A CA 0.168 52.233 52.037 0.046 0.000 0.946 651 A CB -0.830 18.217 19.000 0.079 0.000 1.093 651 A HN 0.960 nan 8.150 nan 0.000 0.543 652 G N -0.268 108.583 108.800 0.086 0.000 2.601 652 G HA2 0.149 4.109 3.960 -0.001 0.000 0.261 652 G HA3 0.149 4.109 3.960 -0.001 0.000 0.261 652 G C 0.475 175.393 174.900 0.030 0.000 1.289 652 G CA -0.115 45.016 45.100 0.051 0.000 0.920 652 G HN 1.836 nan 8.290 nan 0.000 0.571 653 A N 0.031 122.853 122.820 0.005 0.000 2.544 653 A HA 0.633 4.953 4.320 -0.001 0.000 0.301 653 A C 1.077 178.662 177.584 0.002 0.000 1.368 653 A CA 1.478 53.513 52.037 -0.004 0.000 1.045 653 A CB -0.414 18.590 19.000 0.007 0.000 1.129 653 A HN 2.383 nan 8.150 nan 0.000 0.540 654 S N 2.165 117.866 115.700 0.001 0.000 2.554 654 S HA 0.071 4.540 4.470 -0.001 0.000 0.290 654 S C 1.122 175.711 174.600 -0.018 0.000 1.309 654 S CA -0.080 58.121 58.200 0.002 0.000 1.047 654 S CB 0.037 63.239 63.200 0.004 0.000 0.828 654 S HN 0.574 nan 8.310 nan 0.000 0.509 655 L N 2.553 123.765 121.223 -0.019 0.000 2.341 655 L HA 0.231 4.571 4.340 -0.001 0.000 0.214 655 L C 0.961 177.794 176.870 -0.062 0.000 1.115 655 L CA 0.302 55.111 54.840 -0.051 0.000 0.820 655 L CB -0.186 41.849 42.059 -0.040 0.000 0.944 655 L HN 0.700 nan 8.230 nan 0.000 0.452 656 N N -0.996 117.682 118.700 -0.036 0.000 2.875 656 N HA 0.128 4.867 4.740 -0.001 0.000 0.253 656 N C -2.473 173.028 175.510 -0.015 0.000 1.296 656 N CA -1.070 51.959 53.050 -0.035 0.000 0.816 656 N CB 1.569 40.031 38.487 -0.041 0.000 1.504 656 N HN -0.286 nan 8.380 nan 0.000 0.582 657 P HA 0.008 nan 4.420 nan 0.000 0.217 657 P C 1.115 178.413 177.300 -0.002 0.000 1.150 657 P CA 1.239 64.338 63.100 -0.003 0.000 0.832 657 P CB 0.392 32.086 31.700 -0.010 0.000 0.787 658 A N -0.123 122.693 122.820 -0.007 0.000 1.851 658 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 658 A C 2.168 179.757 177.584 0.008 0.000 1.195 658 A CA 1.693 53.728 52.037 -0.002 0.000 0.622 658 A CB -1.774 17.226 19.000 -0.000 0.000 0.831 658 A HN 0.109 nan 8.150 nan 0.000 0.444 659 L N -0.444 120.788 121.223 0.015 0.000 2.131 659 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 659 L C 1.920 178.807 176.870 0.029 0.000 1.092 659 L CA 1.387 56.246 54.840 0.031 0.000 0.759 659 L CB -0.605 41.472 42.059 0.030 0.000 0.903 659 L HN 0.307 nan 8.230 nan 0.000 0.435 660 D N -0.162 120.252 120.400 0.024 0.000 2.149 660 D HA -0.107 4.533 4.640 -0.001 0.000 0.201 660 D C 2.208 178.527 176.300 0.032 0.000 0.972 660 D CA 0.889 54.912 54.000 0.038 0.000 0.835 660 D CB 0.051 40.882 40.800 0.051 0.000 0.966 660 D HN 0.132 nan 8.370 nan 0.000 0.476 661 I N 1.105 121.681 120.570 0.011 0.000 2.286 661 I HA -0.104 4.065 4.170 -0.001 0.000 0.248 661 I C 2.512 178.606 176.117 -0.038 0.000 1.115 661 I CA 1.000 62.289 61.300 -0.018 0.000 1.392 661 I CB -1.454 36.521 38.000 -0.041 0.000 1.065 661 I HN -0.024 nan 8.210 nan 0.000 0.418 662 G N -0.204 108.586 108.800 -0.017 0.000 2.443 662 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.219 662 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.219 662 G C 1.531 176.439 174.900 0.014 0.000 1.131 662 G CA 0.215 45.307 45.100 -0.013 0.000 0.775 662 G HN 0.350 nan 8.290 nan 0.000 0.547 663 Q N 0.113 119.931 119.800 0.030 0.000 2.016 663 Q HA -0.003 4.337 4.340 -0.001 0.000 0.200 663 Q C 2.754 178.774 176.000 0.033 0.000 0.978 663 Q CA 0.838 56.669 55.803 0.047 0.000 0.833 663 Q CB -0.317 28.447 28.738 0.044 0.000 0.895 663 Q HN 0.536 nan 8.270 nan 0.000 0.427 664 I N 1.367 121.939 120.570 0.003 0.000 2.185 664 I HA -0.319 3.851 4.170 -0.001 0.000 0.246 664 I C 2.236 178.362 176.117 0.015 0.000 1.088 664 I CA 1.398 62.680 61.300 -0.030 0.000 1.347 664 I CB -0.257 37.713 38.000 -0.050 0.000 1.041 664 I HN 0.250 nan 8.210 nan 0.000 0.415 665 E N 0.546 120.719 120.200 -0.045 0.000 2.001 665 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 665 E C 2.390 179.081 176.600 0.152 0.000 1.002 665 E CA 1.303 57.664 56.400 -0.064 0.000 0.819 665 E CB -0.598 28.933 29.700 -0.282 0.000 0.769 665 E HN 0.583 nan 8.360 nan 0.000 0.454 666 G N 0.940 109.800 108.800 0.100 0.000 2.475 666 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.220 666 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.220 666 G C 1.621 176.615 174.900 0.157 0.000 1.125 666 G CA 1.058 46.239 45.100 0.134 0.000 0.755 666 G HN 0.342 nan 8.290 nan 0.000 0.565 667 A N -0.289 122.624 122.820 0.155 0.000 1.898 667 A HA 0.122 4.442 4.320 -0.001 0.000 0.214 667 A C 2.113 179.740 177.584 0.071 0.000 1.183 667 A CA 1.435 53.566 52.037 0.157 0.000 0.622 667 A CB -0.588 18.510 19.000 0.163 0.000 0.824 667 A HN 0.425 nan 8.150 nan 0.000 0.444 668 Y N 0.856 121.163 120.300 0.013 0.000 2.053 668 Y HA -0.257 4.292 4.550 -0.001 0.000 0.277 668 Y C 2.350 178.228 175.900 -0.035 0.000 1.159 668 Y CA 2.217 60.308 58.100 -0.015 0.000 1.125 668 Y CB -0.643 37.885 38.460 0.113 0.000 0.969 668 Y HN 0.058 nan 8.280 nan 0.000 0.492 669 V N 0.797 120.819 119.914 0.181 0.000 2.233 669 V HA -0.461 3.659 4.120 -0.001 0.000 0.252 669 V C 2.461 178.468 176.094 -0.145 0.000 1.063 669 V CA 2.569 64.873 62.300 0.007 0.000 1.032 669 V CB -0.965 30.917 31.823 0.098 0.000 0.645 669 V HN 0.568 nan 8.190 nan 0.000 0.446 670 Q N -0.527 119.232 119.800 -0.069 0.000 2.061 670 Q HA -0.189 4.151 4.340 -0.001 0.000 0.204 670 Q C 2.266 178.123 176.000 -0.237 0.000 0.984 670 Q CA 2.164 57.936 55.803 -0.052 0.000 0.846 670 Q CB -0.648 28.163 28.738 0.123 0.000 0.902 670 Q HN 0.709 nan 8.270 nan 0.000 0.421 671 G N 0.237 108.683 108.800 -0.590 0.000 2.491 671 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.218 671 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.218 671 G C 1.448 176.098 174.900 -0.416 0.000 1.180 671 G CA 1.208 45.708 45.100 -0.999 0.000 0.774 671 G HN 0.532 nan 8.290 nan 0.000 0.562 672 A N 0.956 123.484 122.820 -0.487 0.000 1.873 672 A HA 0.040 4.360 4.320 -0.001 0.000 0.218 672 A C 2.790 180.256 177.584 -0.197 0.000 1.193 672 A CA 2.435 54.247 52.037 -0.375 0.000 0.629 672 A CB -1.355 17.353 19.000 -0.487 0.000 0.826 672 A HN 0.783 nan 8.150 nan 0.000 0.447 673 G N -2.102 106.600 108.800 -0.163 0.000 2.485 673 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.221 673 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.221 673 G C 1.304 176.187 174.900 -0.028 0.000 1.115 673 G CA 1.208 46.248 45.100 -0.100 0.000 0.751 673 G HN 0.720 nan 8.290 nan 0.000 0.567 674 W N 0.759 121.920 121.300 -0.232 0.000 2.467 674 W HA 0.215 4.874 4.660 -0.001 0.000 0.275 674 W C 1.496 177.905 176.519 -0.182 0.000 1.239 674 W CA 0.451 57.676 57.345 -0.200 0.000 1.266 674 W CB -0.053 29.286 29.460 -0.201 0.000 1.112 674 W HN 0.092 nan 8.180 nan 0.000 0.576 675 L N 1.083 122.147 121.223 -0.264 0.000 2.872 675 L HA 0.217 4.556 4.340 -0.001 0.000 0.245 675 L C 1.248 178.013 176.870 -0.175 0.000 1.211 675 L CA 0.772 55.360 54.840 -0.420 0.000 1.013 675 L CB -0.660 41.142 42.059 -0.429 0.000 1.326 675 L HN -0.009 nan 8.230 nan 0.000 0.525 676 T N -6.246 108.216 114.554 -0.153 0.000 3.482 676 T HA -0.038 4.311 4.350 -0.001 0.000 0.195 676 T C 1.379 176.006 174.700 -0.122 0.000 0.940 676 T CA 0.720 62.758 62.100 -0.104 0.000 1.044 676 T CB 0.049 68.860 68.868 -0.095 0.000 1.209 676 T HN 0.038 nan 8.240 nan 0.000 0.318 677 T N -0.424 114.039 114.554 -0.152 0.000 3.023 677 T HA 0.332 4.682 4.350 -0.001 0.000 0.253 677 T C 0.331 174.872 174.700 -0.266 0.000 1.038 677 T CA -0.226 61.767 62.100 -0.178 0.000 0.962 677 T CB -0.306 68.459 68.868 -0.172 0.000 1.018 677 T HN 0.435 nan 8.240 nan 0.000 0.521 678 E N 2.009 122.044 120.200 -0.275 0.000 2.265 678 E HA 0.249 4.598 4.350 -0.001 0.000 0.272 678 E C -0.388 176.096 176.600 -0.194 0.000 1.067 678 E CA 0.088 56.243 56.400 -0.409 0.000 0.900 678 E CB 0.467 30.045 29.700 -0.203 0.000 1.017 678 E HN 0.550 nan 8.360 nan 0.000 0.431 679 E N 4.365 124.454 120.200 -0.184 0.000 2.263 679 E HA 0.261 4.610 4.350 -0.001 0.000 0.268 679 E C -1.300 175.373 176.600 0.121 0.000 0.884 679 E CA -0.563 55.846 56.400 0.014 0.000 0.766 679 E CB 1.020 30.694 29.700 -0.044 0.000 1.196 679 E HN 0.375 nan 8.360 nan 0.000 0.416 680 L N 3.890 125.154 121.223 0.069 0.000 2.334 680 L HA 0.589 4.928 4.340 -0.001 0.000 0.277 680 L C -0.814 175.897 176.870 -0.265 0.000 1.075 680 L CA -0.857 53.893 54.840 -0.150 0.000 0.804 680 L CB 1.608 43.520 42.059 -0.245 0.000 1.174 680 L HN 0.385 nan 8.230 nan 0.000 0.438 681 V N 1.562 121.197 119.914 -0.464 0.000 2.668 681 V HA 0.416 4.535 4.120 -0.001 0.000 0.304 681 V C -1.055 174.786 176.094 -0.421 0.000 1.071 681 V CA -0.732 61.394 62.300 -0.291 0.000 0.894 681 V CB 2.216 33.981 31.823 -0.097 0.000 1.008 681 V HN 0.613 nan 8.190 nan 0.000 0.425 682 W N 3.011 124.311 121.300 0.000 0.000 2.632 682 W HA 0.430 5.090 4.660 -0.001 0.000 0.328 682 W C -0.086 176.418 176.519 -0.026 0.000 1.044 682 W CA -0.569 56.762 57.345 -0.024 0.000 1.225 682 W CB 2.222 31.669 29.460 -0.022 0.000 1.396 682 W HN 0.811 nan 8.180 nan 0.000 0.499 683 D N 0.568 121.055 120.400 0.144 0.000 2.414 683 D HA -0.099 4.540 4.640 -0.001 0.000 0.259 683 D C 1.635 177.942 176.300 0.010 0.000 1.269 683 D CA 0.284 54.327 54.000 0.071 0.000 1.028 683 D CB 0.124 40.914 40.800 -0.017 0.000 1.093 683 D HN 0.517 nan 8.370 nan 0.000 0.545 684 H N -1.171 117.932 119.070 0.054 0.000 2.491 684 H HA -0.040 4.516 4.556 -0.001 0.000 0.290 684 H C 1.017 176.356 175.328 0.019 0.000 1.050 684 H CA 0.572 56.640 56.048 0.033 0.000 1.309 684 H CB -0.891 28.881 29.762 0.017 0.000 1.392 684 H HN 0.274 nan 8.280 nan 0.000 0.554 685 C N 1.145 120.025 119.300 -0.700 0.000 2.625 685 C HA 0.410 4.870 4.460 -0.001 0.000 0.285 685 C C 1.895 176.785 174.990 -0.167 0.000 1.279 685 C CA 0.432 59.250 59.018 -0.334 0.000 1.698 685 C CB -0.887 26.639 27.740 -0.356 0.000 1.821 685 C HN 0.927 nan 8.230 nan 0.000 0.600 686 G N 1.154 109.897 108.800 -0.094 0.000 2.176 686 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.253 686 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.253 686 G C 0.175 175.170 174.900 0.158 0.000 0.979 686 G CA -0.365 44.734 45.100 -0.001 0.000 0.641 686 G HN 0.588 nan 8.290 nan 0.000 0.530 687 R N -0.318 120.219 120.500 0.061 0.000 2.491 687 R HA 0.422 4.762 4.340 -0.001 0.000 0.283 687 R C 0.365 176.740 176.300 0.125 0.000 1.072 687 R CA -0.640 55.501 56.100 0.068 0.000 1.048 687 R CB 0.746 31.006 30.300 -0.067 0.000 0.983 687 R HN 0.205 nan 8.270 nan 0.000 0.450 688 L N 3.658 124.911 121.223 0.049 0.000 2.418 688 L HA -0.023 4.316 4.340 -0.001 0.000 0.274 688 L C 0.835 177.485 176.870 -0.366 0.000 1.135 688 L CA 0.521 55.189 54.840 -0.287 0.000 0.870 688 L CB 0.765 42.688 42.059 -0.227 0.000 1.154 688 L HN 0.680 nan 8.230 nan 0.000 0.462 689 M N 1.828 121.230 119.600 -0.330 0.000 2.287 689 M HA 0.069 4.548 4.480 -0.001 0.000 0.266 689 M C 1.032 177.275 176.300 -0.094 0.000 1.079 689 M CA 0.826 55.995 55.300 -0.217 0.000 1.146 689 M CB -1.184 31.350 32.600 -0.110 0.000 1.374 689 M HN 0.689 nan 8.290 nan 0.000 0.435 690 T N 0.338 114.821 114.554 -0.119 0.000 3.162 690 T HA 0.285 4.634 4.350 -0.001 0.000 0.316 690 T C -0.075 174.669 174.700 0.072 0.000 1.182 690 T CA -0.562 61.547 62.100 0.015 0.000 1.015 690 T CB -0.738 68.113 68.868 -0.029 0.000 1.089 690 T HN 0.435 nan 8.240 nan 0.000 0.646 691 H N 1.169 120.200 119.070 -0.065 0.000 2.439 691 H HA 0.698 5.254 4.556 -0.001 0.000 0.230 691 H C -0.557 174.780 175.328 0.015 0.000 1.420 691 H CA -1.283 54.736 56.048 -0.048 0.000 1.305 691 H CB -0.477 29.259 29.762 -0.044 0.000 1.667 691 H HN 0.897 nan 8.280 nan 0.000 0.515 692 A N 1.325 124.144 122.820 -0.002 0.000 2.597 692 A HA 0.311 4.630 4.320 -0.001 0.000 0.302 692 A C -2.768 174.832 177.584 0.027 0.000 0.942 692 A CA -0.976 51.050 52.037 -0.018 0.000 0.665 692 A CB 0.202 19.098 19.000 -0.173 0.000 1.293 692 A HN 0.130 nan 8.150 nan 0.000 0.415 693 P HA -0.114 nan 4.420 nan 0.000 0.218 693 P C 1.690 178.949 177.300 -0.068 0.000 1.149 693 P CA 2.190 65.231 63.100 -0.098 0.000 0.817 693 P CB 0.101 31.803 31.700 0.002 0.000 0.785 694 S N -1.365 114.321 115.700 -0.023 0.000 2.500 694 S HA -0.122 4.348 4.470 -0.001 0.000 0.239 694 S C 1.642 176.228 174.600 -0.023 0.000 0.989 694 S CA 1.798 59.984 58.200 -0.024 0.000 0.951 694 S CB -1.546 61.647 63.200 -0.011 0.000 0.759 694 S HN 0.332 nan 8.310 nan 0.000 0.523 695 T N -3.334 111.216 114.554 -0.007 0.000 2.986 695 T HA 0.278 4.628 4.350 -0.001 0.000 0.264 695 T C -0.199 174.507 174.700 0.010 0.000 0.964 695 T CA -0.562 61.540 62.100 0.003 0.000 0.895 695 T CB -0.252 68.640 68.868 0.040 0.000 1.163 695 T HN 0.394 nan 8.240 nan 0.000 0.517 696 Y N 1.907 122.132 120.300 -0.124 0.000 2.328 696 Y HA 0.698 5.248 4.550 -0.001 0.000 0.337 696 Y C -1.076 174.687 175.900 -0.229 0.000 0.966 696 Y CA -1.124 56.881 58.100 -0.159 0.000 1.136 696 Y CB 1.341 39.709 38.460 -0.154 0.000 1.170 696 Y HN -0.172 nan 8.280 nan 0.000 0.470 697 K N 7.915 127.914 120.400 -0.668 0.000 2.464 697 K HA 0.356 4.676 4.320 -0.001 0.000 0.252 697 K C -0.769 175.541 176.600 -0.484 0.000 1.000 697 K CA -0.372 55.642 56.287 -0.454 0.000 0.951 697 K CB 0.193 32.516 32.500 -0.295 0.000 1.183 697 K HN 0.712 nan 8.250 nan 0.000 0.445 698 I N -0.571 119.760 120.570 -0.398 0.000 2.834 698 I HA 0.525 4.694 4.170 -0.001 0.000 0.305 698 I C -1.749 174.273 176.117 -0.160 0.000 1.008 698 I CA -2.647 58.499 61.300 -0.258 0.000 1.273 698 I CB 0.418 38.320 38.000 -0.163 0.000 1.432 698 I HN 0.287 nan 8.210 nan 0.000 0.557 699 P HA 0.023 nan 4.420 nan 0.000 0.257 699 P C -0.649 176.631 177.300 -0.034 0.000 1.162 699 P CA 0.424 63.481 63.100 -0.072 0.000 0.762 699 P CB 0.312 31.975 31.700 -0.061 0.000 0.753 700 A N 3.379 126.193 122.820 -0.009 0.000 2.282 700 A HA 0.353 4.673 4.320 -0.001 0.000 0.319 700 A C 1.073 178.728 177.584 0.118 0.000 1.121 700 A CA -0.599 51.471 52.037 0.056 0.000 0.836 700 A CB -0.062 18.974 19.000 0.060 0.000 1.146 700 A HN 0.564 nan 8.150 nan 0.000 0.494 701 F N 1.690 121.649 119.950 0.014 0.000 2.063 701 F HA -0.361 4.166 4.527 -0.001 0.000 0.296 701 F C 2.666 178.479 175.800 0.021 0.000 1.093 701 F CA 3.035 61.052 58.000 0.027 0.000 1.229 701 F CB 0.043 39.059 39.000 0.026 0.000 0.971 701 F HN 0.588 nan 8.300 nan 0.000 0.491 702 S N -0.894 115.038 115.700 0.387 0.000 2.603 702 S HA -0.110 4.360 4.470 -0.001 0.000 0.229 702 S C 1.042 175.710 174.600 0.113 0.000 0.972 702 S CA 0.996 59.343 58.200 0.245 0.000 0.935 702 S CB -0.596 62.684 63.200 0.133 0.000 0.769 702 S HN 0.487 nan 8.310 nan 0.000 0.536 703 D N 1.738 122.178 120.400 0.067 0.000 2.328 703 D HA 0.061 4.701 4.640 -0.001 0.000 0.221 703 D C 0.691 176.981 176.300 -0.018 0.000 1.072 703 D CA -0.026 53.977 54.000 0.006 0.000 0.850 703 D CB -0.002 40.782 40.800 -0.026 0.000 0.922 703 D HN 0.713 nan 8.370 nan 0.000 0.516 704 R N 1.328 121.827 120.500 -0.002 0.000 2.679 704 R HA 0.296 4.636 4.340 -0.001 0.000 0.268 704 R C -2.604 173.651 176.300 -0.075 0.000 1.044 704 R CA -1.143 54.937 56.100 -0.035 0.000 1.105 704 R CB -0.719 29.576 30.300 -0.009 0.000 0.989 704 R HN -0.220 nan 8.270 nan 0.000 0.447 705 P HA 0.058 nan 4.420 nan 0.000 0.268 705 P C -0.076 177.160 177.300 -0.105 0.000 1.205 705 P CA -0.385 62.572 63.100 -0.239 0.000 0.771 705 P CB 0.691 32.071 31.700 -0.533 0.000 0.858 706 R N 1.978 122.448 120.500 -0.050 0.000 2.148 706 R HA 0.135 4.475 4.340 -0.001 0.000 0.223 706 R C 0.706 177.021 176.300 0.025 0.000 1.088 706 R CA 0.886 56.991 56.100 0.007 0.000 0.985 706 R CB -0.331 29.969 30.300 0.001 0.000 0.880 706 R HN 0.524 nan 8.270 nan 0.000 0.451 707 I N 0.320 120.888 120.570 -0.003 0.000 2.447 707 I HA 0.248 4.418 4.170 -0.001 0.000 0.287 707 I C -0.978 175.172 176.117 0.056 0.000 1.023 707 I CA -0.477 60.845 61.300 0.037 0.000 1.083 707 I CB 1.826 39.834 38.000 0.013 0.000 1.245 707 I HN -0.113 nan 8.210 nan 0.000 0.434 708 F N 6.587 126.510 119.950 -0.045 0.000 2.564 708 F HA 0.404 4.931 4.527 -0.001 0.000 0.368 708 F C -0.461 175.294 175.800 -0.074 0.000 1.127 708 F CA -0.946 57.007 58.000 -0.078 0.000 1.170 708 F CB 0.742 39.705 39.000 -0.063 0.000 1.397 708 F HN 0.454 nan 8.300 nan 0.000 0.493 709 N N 4.389 123.209 118.700 0.200 0.000 2.444 709 N HA 0.390 5.130 4.740 -0.001 0.000 0.262 709 N C -0.971 174.555 175.510 0.028 0.000 0.974 709 N CA -0.285 52.804 53.050 0.065 0.000 0.933 709 N CB 2.482 40.996 38.487 0.044 0.000 1.137 709 N HN 0.139 nan 8.380 nan 0.000 0.498 710 V N 0.789 120.676 119.914 -0.046 0.000 2.540 710 V HA 0.896 5.016 4.120 -0.001 0.000 0.302 710 V C -0.236 175.848 176.094 -0.018 0.000 1.035 710 V CA -0.799 61.466 62.300 -0.057 0.000 0.873 710 V CB 1.421 33.136 31.823 -0.179 0.000 0.992 710 V HN 0.799 nan 8.190 nan 0.000 0.428 711 A N 4.825 127.663 122.820 0.028 0.000 2.572 711 A HA 0.896 5.215 4.320 -0.001 0.000 0.295 711 A C -1.350 176.297 177.584 0.104 0.000 1.072 711 A CA -0.610 51.457 52.037 0.051 0.000 0.691 711 A CB 1.492 20.522 19.000 0.051 0.000 1.291 711 A HN 0.732 nan 8.150 nan 0.000 0.404 712 L N 1.497 122.781 121.223 0.102 0.000 2.343 712 L HA 0.394 4.734 4.340 -0.001 0.000 0.275 712 L C -0.079 176.906 176.870 0.193 0.000 1.056 712 L CA -0.522 54.409 54.840 0.151 0.000 0.804 712 L CB 1.325 43.444 42.059 0.099 0.000 1.203 712 L HN 0.831 nan 8.230 nan 0.000 0.440 713 W N 3.732 125.032 121.300 0.000 0.000 2.345 713 W HA 0.126 4.786 4.660 -0.001 0.000 0.308 713 W C -0.825 175.683 176.519 -0.018 0.000 1.273 713 W CA -0.210 57.127 57.345 -0.014 0.000 1.243 713 W CB 1.290 30.732 29.460 -0.029 0.000 1.260 713 W HN 0.481 nan 8.180 nan 0.000 0.509 714 D N 5.426 125.618 120.400 -0.346 0.000 2.485 714 D HA 0.214 4.853 4.640 -0.001 0.000 0.229 714 D C -0.748 175.339 176.300 -0.355 0.000 1.101 714 D CA 0.218 54.074 54.000 -0.239 0.000 0.906 714 D CB 0.552 41.257 40.800 -0.159 0.000 1.019 714 D HN 0.381 nan 8.370 nan 0.000 0.516 715 Q N 2.638 122.295 119.800 -0.239 0.000 2.315 715 Q HA 0.391 4.730 4.340 -0.001 0.000 0.273 715 Q C -2.489 173.497 176.000 -0.022 0.000 1.053 715 Q CA -1.990 53.717 55.803 -0.159 0.000 0.817 715 Q CB 2.837 31.492 28.738 -0.139 0.000 1.326 715 Q HN 0.201 nan 8.270 nan 0.000 0.423 716 P HA -0.058 nan 4.420 nan 0.000 0.270 716 P C -0.741 176.558 177.300 -0.001 0.000 1.223 716 P CA -0.208 62.883 63.100 -0.016 0.000 0.785 716 P CB 0.560 32.248 31.700 -0.021 0.000 0.923 717 N N 1.677 120.355 118.700 -0.036 0.000 2.514 717 N HA 0.088 4.828 4.740 -0.001 0.000 0.277 717 N C 1.081 176.560 175.510 -0.053 0.000 1.126 717 N CA -0.031 52.980 53.050 -0.066 0.000 0.978 717 N CB 0.491 38.853 38.487 -0.208 0.000 1.106 717 N HN 0.206 nan 8.380 nan 0.000 0.461 718 R N 1.015 121.508 120.500 -0.013 0.000 2.081 718 R HA -0.044 4.296 4.340 -0.001 0.000 0.235 718 R C 0.070 176.355 176.300 -0.025 0.000 1.131 718 R CA 1.017 57.118 56.100 0.001 0.000 0.960 718 R CB 0.009 30.333 30.300 0.040 0.000 0.856 718 R HN 0.661 nan 8.270 nan 0.000 0.436 719 E N 1.088 121.255 120.200 -0.055 0.000 2.371 719 E HA 0.001 4.351 4.350 -0.001 0.000 0.257 719 E C -0.407 176.134 176.600 -0.098 0.000 1.134 719 E CA 0.148 56.512 56.400 -0.059 0.000 0.919 719 E CB 0.507 30.169 29.700 -0.063 0.000 1.025 719 E HN 0.166 nan 8.360 nan 0.000 0.438 720 E N 1.371 121.536 120.200 -0.059 0.000 2.148 720 E HA 0.055 4.405 4.350 -0.001 0.000 0.308 720 E C -0.162 176.385 176.600 -0.088 0.000 1.278 720 E CA -0.142 56.219 56.400 -0.065 0.000 1.368 720 E CB -0.064 29.622 29.700 -0.024 0.000 1.229 720 E HN 0.356 nan 8.360 nan 0.000 0.494 721 T N -1.383 113.078 114.554 -0.155 0.000 2.944 721 T HA 0.315 4.665 4.350 -0.001 0.000 0.284 721 T C 0.440 175.013 174.700 -0.211 0.000 1.010 721 T CA -0.994 60.995 62.100 -0.186 0.000 1.025 721 T CB 1.215 69.931 68.868 -0.253 0.000 1.079 721 T HN 0.151 nan 8.240 nan 0.000 0.516 722 I N 2.486 122.912 120.570 -0.239 0.000 3.045 722 I HA 0.051 4.220 4.170 -0.001 0.000 0.306 722 I C 0.141 176.204 176.117 -0.088 0.000 1.232 722 I CA 0.110 61.266 61.300 -0.242 0.000 1.415 722 I CB -1.353 36.557 38.000 -0.150 0.000 1.364 722 I HN 0.778 nan 8.210 nan 0.000 0.538 723 F N 6.426 126.315 119.950 -0.102 0.000 3.097 723 F HA -0.349 4.178 4.527 -0.001 0.000 0.278 723 F C 1.203 176.952 175.800 -0.085 0.000 0.917 723 F CA 0.964 58.914 58.000 -0.082 0.000 0.962 723 F CB -1.320 37.635 39.000 -0.076 0.000 0.964 723 F HN 0.676 nan 8.300 nan 0.000 0.668 724 R N -1.781 118.699 120.500 -0.033 0.000 3.641 724 R HA -0.205 4.135 4.340 -0.001 0.000 0.286 724 R C 0.635 176.906 176.300 -0.049 0.000 1.153 724 R CA 0.891 56.955 56.100 -0.060 0.000 0.775 724 R CB -2.352 27.930 30.300 -0.029 0.000 1.215 724 R HN 0.569 nan 8.270 nan 0.000 0.474 725 S N -0.213 115.465 115.700 -0.038 0.000 2.686 725 S HA 0.651 5.121 4.470 -0.001 0.000 0.270 725 S C 0.155 174.705 174.600 -0.084 0.000 1.194 725 S CA -0.603 57.582 58.200 -0.026 0.000 0.990 725 S CB 2.589 65.795 63.200 0.010 0.000 1.029 725 S HN 0.277 nan 8.310 nan 0.000 0.560 726 K N -0.492 119.899 120.400 -0.015 0.000 2.435 726 K HA 0.684 5.003 4.320 -0.001 0.000 0.251 726 K C -0.676 175.998 176.600 0.123 0.000 0.954 726 K CA -0.797 55.523 56.287 0.055 0.000 0.820 726 K CB 2.129 34.706 32.500 0.128 0.000 1.292 726 K HN 0.876 nan 8.250 nan 0.000 0.436 727 A N 1.076 124.030 122.820 0.223 0.000 2.386 727 A HA 0.286 4.606 4.320 -0.001 0.000 0.248 727 A C 0.200 177.823 177.584 0.065 0.000 1.082 727 A CA -0.154 51.945 52.037 0.103 0.000 0.789 727 A CB 0.828 19.873 19.000 0.075 0.000 1.025 727 A HN 0.494 nan 8.150 nan 0.000 0.490 728 V N 1.702 121.633 119.914 0.029 0.000 3.415 728 V HA 0.269 4.388 4.120 -0.001 0.000 0.315 728 V C 1.283 177.379 176.094 0.005 0.000 1.516 728 V CA 0.826 63.164 62.300 0.063 0.000 1.122 728 V CB 0.159 32.040 31.823 0.097 0.000 0.988 728 V HN 1.118 nan 8.190 nan 0.000 0.474 729 G N -0.145 108.621 108.800 -0.058 0.000 2.459 729 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.213 729 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.213 729 G C 1.075 175.906 174.900 -0.114 0.000 1.155 729 G CA 0.989 46.051 45.100 -0.063 0.000 0.811 729 G HN 0.574 nan 8.290 nan 0.000 0.534 730 E N 0.496 120.528 120.200 -0.280 0.000 2.110 730 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 730 E C -0.425 175.855 176.600 -0.534 0.000 0.950 730 E CA -0.053 56.091 56.400 -0.427 0.000 0.840 730 E CB -0.320 29.005 29.700 -0.624 0.000 0.809 730 E HN 0.172 nan 8.360 nan 0.000 0.465 731 P HA -0.213 nan 4.420 nan 0.000 0.216 731 P C -1.569 175.616 177.300 -0.193 0.000 1.167 731 P CA 2.526 65.271 63.100 -0.592 0.000 0.933 731 P CB -1.142 30.442 31.700 -0.194 0.000 0.793 732 P HA -0.248 nan 4.420 nan 0.000 0.218 732 P C 1.575 178.841 177.300 -0.056 0.000 1.152 732 P CA 1.581 64.472 63.100 -0.348 0.000 0.857 732 P CB -0.731 30.796 31.700 -0.288 0.000 0.787 733 F N 0.615 120.478 119.950 -0.146 0.000 2.202 733 F HA -0.179 4.348 4.527 -0.001 0.000 0.301 733 F C 1.789 177.565 175.800 -0.039 0.000 1.082 733 F CA 1.032 58.988 58.000 -0.073 0.000 1.313 733 F CB -0.608 38.336 39.000 -0.093 0.000 1.024 733 F HN -0.264 nan 8.300 nan 0.000 0.495 734 L N 0.514 121.902 121.223 0.275 0.000 2.456 734 L HA -0.126 4.213 4.340 -0.001 0.000 0.224 734 L C 1.859 178.779 176.870 0.083 0.000 1.148 734 L CA 1.097 56.066 54.840 0.215 0.000 0.825 734 L CB -1.130 41.058 42.059 0.216 0.000 0.937 734 L HN 0.246 nan 8.230 nan 0.000 0.450 735 L N -0.988 120.267 121.223 0.052 0.000 2.450 735 L HA -0.096 4.243 4.340 -0.001 0.000 0.224 735 L C 2.462 179.393 176.870 0.101 0.000 1.149 735 L CA 0.832 55.745 54.840 0.122 0.000 0.816 735 L CB -1.033 41.142 42.059 0.193 0.000 0.932 735 L HN 0.373 nan 8.230 nan 0.000 0.449 736 G N 0.505 109.221 108.800 -0.140 0.000 2.450 736 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 736 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 736 G C 1.587 176.417 174.900 -0.118 0.000 1.130 736 G CA 0.630 45.522 45.100 -0.347 0.000 0.760 736 G HN 0.341 nan 8.290 nan 0.000 0.557 737 I N 1.933 122.510 120.570 0.012 0.000 2.185 737 I HA -0.305 3.864 4.170 -0.001 0.000 0.246 737 I C 3.226 179.419 176.117 0.127 0.000 1.088 737 I CA 1.637 62.990 61.300 0.089 0.000 1.347 737 I CB -0.422 37.657 38.000 0.132 0.000 1.041 737 I HN 0.399 nan 8.210 nan 0.000 0.415 738 S N 1.683 117.458 115.700 0.126 0.000 2.378 738 S HA -0.333 4.136 4.470 -0.001 0.000 0.229 738 S C 2.265 176.936 174.600 0.117 0.000 1.052 738 S CA 1.459 59.742 58.200 0.138 0.000 1.084 738 S CB -0.960 62.345 63.200 0.175 0.000 0.950 738 S HN 0.474 nan 8.310 nan 0.000 0.440 739 A N 1.054 123.923 122.820 0.082 0.000 1.908 739 A HA -0.003 4.317 4.320 -0.001 0.000 0.218 739 A C 2.018 179.645 177.584 0.072 0.000 1.181 739 A CA 1.756 53.819 52.037 0.043 0.000 0.627 739 A CB -1.157 17.807 19.000 -0.061 0.000 0.818 739 A HN 0.614 nan 8.150 nan 0.000 0.445 740 F N 0.057 119.961 119.950 -0.077 0.000 2.060 740 F HA -0.119 4.407 4.527 -0.001 0.000 0.295 740 F C 1.871 177.656 175.800 -0.026 0.000 1.120 740 F CA 1.531 59.487 58.000 -0.073 0.000 1.205 740 F CB -0.463 38.476 39.000 -0.102 0.000 0.986 740 F HN 0.137 nan 8.300 nan 0.000 0.470 741 L N 0.746 122.038 121.223 0.114 0.000 2.064 741 L HA -0.285 4.054 4.340 -0.001 0.000 0.216 741 L C 2.687 179.546 176.870 -0.018 0.000 1.077 741 L CA 2.112 56.947 54.840 -0.008 0.000 0.766 741 L CB -1.833 40.270 42.059 0.073 0.000 0.890 741 L HN 0.302 nan 8.230 nan 0.000 0.435 742 A N -1.539 121.287 122.820 0.010 0.000 1.877 742 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 742 A C 2.201 179.757 177.584 -0.047 0.000 1.186 742 A CA 1.443 53.488 52.037 0.012 0.000 0.620 742 A CB -0.750 18.262 19.000 0.021 0.000 0.822 742 A HN 0.312 nan 8.150 nan 0.000 0.443 743 L N -0.234 120.925 121.223 -0.108 0.000 2.042 743 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 743 L C 2.379 179.125 176.870 -0.207 0.000 1.076 743 L CA 2.615 57.360 54.840 -0.159 0.000 0.749 743 L CB -1.244 40.701 42.059 -0.190 0.000 0.893 743 L HN 0.776 nan 8.230 nan 0.000 0.432 744 H N -1.883 116.939 119.070 -0.412 0.000 2.428 744 H HA -0.143 4.412 4.556 -0.001 0.000 0.296 744 H C 1.991 177.175 175.328 -0.240 0.000 1.062 744 H CA 1.589 57.390 56.048 -0.410 0.000 1.350 744 H CB 0.052 29.491 29.762 -0.538 0.000 1.403 744 H HN 0.421 nan 8.280 nan 0.000 0.533 745 D N 0.290 120.662 120.400 -0.046 0.000 2.117 745 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 745 D C 2.289 178.495 176.300 -0.157 0.000 0.987 745 D CA 1.556 55.515 54.000 -0.068 0.000 0.829 745 D CB -0.400 40.428 40.800 0.048 0.000 0.961 745 D HN 0.519 nan 8.370 nan 0.000 0.460 746 A N -0.008 122.733 122.820 -0.132 0.000 1.851 746 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 746 A C 2.697 180.183 177.584 -0.163 0.000 1.195 746 A CA 1.864 53.833 52.037 -0.113 0.000 0.622 746 A CB -1.300 17.649 19.000 -0.086 0.000 0.831 746 A HN 0.527 nan 8.150 nan 0.000 0.444 747 C N -0.851 118.312 119.300 -0.229 0.000 2.349 747 C HA -0.161 4.299 4.460 -0.001 0.000 0.274 747 C C 3.253 178.078 174.990 -0.275 0.000 1.178 747 C CA 1.235 60.098 59.018 -0.258 0.000 1.769 747 C CB -1.646 25.891 27.740 -0.339 0.000 2.047 747 C HN 0.722 nan 8.230 nan 0.000 0.448 748 A N 0.107 122.686 122.820 -0.402 0.000 2.076 748 A HA 0.136 4.455 4.320 -0.001 0.000 0.220 748 A C 2.205 179.695 177.584 -0.156 0.000 1.160 748 A CA 1.852 53.711 52.037 -0.296 0.000 0.653 748 A CB -0.610 18.190 19.000 -0.333 0.000 0.801 748 A HN 0.703 nan 8.150 nan 0.000 0.455 749 A N -1.876 120.865 122.820 -0.132 0.000 2.206 749 A HA 0.039 4.358 4.320 -0.001 0.000 0.211 749 A C 1.847 179.393 177.584 -0.062 0.000 1.158 749 A CA 1.131 53.126 52.037 -0.072 0.000 0.761 749 A CB -0.850 18.127 19.000 -0.039 0.000 0.801 749 A HN 0.558 nan 8.150 nan 0.000 0.473 750 C N -1.180 118.072 119.300 -0.080 0.000 2.594 750 C HA 0.491 4.951 4.460 -0.001 0.000 0.265 750 C C 1.478 176.428 174.990 -0.065 0.000 1.351 750 C CA 0.405 59.384 59.018 -0.064 0.000 1.744 750 C CB -1.089 26.611 27.740 -0.067 0.000 1.890 750 C HN 0.748 nan 8.230 nan 0.000 0.551 751 G N -0.123 108.628 108.800 -0.082 0.000 2.441 751 G HA2 0.436 4.395 3.960 -0.001 0.000 0.294 751 G HA3 0.436 4.395 3.960 -0.001 0.000 0.294 751 G C -2.889 171.926 174.900 -0.142 0.000 1.393 751 G CA -0.207 44.830 45.100 -0.105 0.000 0.796 751 G HN -0.147 nan 8.290 nan 0.000 0.494 752 P HA 0.253 nan 4.420 nan 0.000 0.274 752 P C -0.245 176.917 177.300 -0.230 0.000 1.352 752 P CA -0.019 62.939 63.100 -0.236 0.000 0.947 752 P CB 0.195 31.730 31.700 -0.275 0.000 1.437 753 H N -0.609 118.488 119.070 0.045 0.000 2.472 753 H HA 0.118 4.674 4.556 -0.001 0.000 0.335 753 H C -0.189 175.213 175.328 0.123 0.000 1.136 753 H CA -0.911 55.193 56.048 0.093 0.000 1.264 753 H CB 0.810 30.609 29.762 0.062 0.000 1.486 753 H HN 0.197 nan 8.280 nan 0.000 0.517 754 W N 6.192 127.578 121.300 0.145 0.000 2.692 754 W HA 0.037 4.696 4.660 -0.001 0.000 0.339 754 W C -1.921 174.607 176.519 0.015 0.000 1.415 754 W CA -1.707 55.668 57.345 0.051 0.000 1.389 754 W CB 0.394 29.888 29.460 0.057 0.000 1.492 754 W HN 0.497 nan 8.180 nan 0.000 0.545 755 P HA -0.217 nan 4.420 nan 0.000 0.223 755 P C 0.199 177.119 177.300 -0.633 0.000 1.144 755 P CA 1.350 64.151 63.100 -0.497 0.000 0.783 755 P CB -0.039 31.366 31.700 -0.493 0.000 0.771 756 D N -1.603 118.022 120.400 -1.293 0.000 2.704 756 D HA -0.176 4.464 4.640 -0.001 0.000 0.232 756 D C -0.301 175.787 176.300 -0.352 0.000 1.183 756 D CA 0.171 53.691 54.000 -0.799 0.000 0.647 756 D CB -1.173 39.499 40.800 -0.213 0.000 1.013 756 D HN 0.028 nan 8.370 nan 0.000 0.415 757 L N 0.736 121.728 121.223 -0.385 0.000 2.490 757 L HA 0.223 4.563 4.340 -0.001 0.000 0.274 757 L C 0.241 177.181 176.870 0.117 0.000 1.201 757 L CA 0.535 55.278 54.840 -0.162 0.000 0.869 757 L CB 0.799 42.685 42.059 -0.289 0.000 1.123 757 L HN 0.088 nan 8.230 nan 0.000 0.484 758 Q N 3.383 123.293 119.800 0.182 0.000 2.204 758 Q HA 0.707 5.047 4.340 -0.001 0.000 0.254 758 Q C -0.804 175.397 176.000 0.335 0.000 0.981 758 Q CA -0.458 55.525 55.803 0.301 0.000 0.897 758 Q CB 1.681 30.519 28.738 0.167 0.000 1.273 758 Q HN 0.851 nan 8.270 nan 0.000 0.464 759 A N 2.504 125.418 122.820 0.156 0.000 2.318 759 A HA 0.655 4.975 4.320 -0.001 0.000 0.324 759 A C -2.319 175.175 177.584 -0.150 0.000 1.170 759 A CA -1.514 50.436 52.037 -0.145 0.000 0.810 759 A CB 0.822 19.485 19.000 -0.562 0.000 1.198 759 A HN 0.405 nan 8.150 nan 0.000 0.484 760 P HA 0.288 nan 4.420 nan 0.000 0.292 760 P C 0.016 177.307 177.300 -0.014 0.000 1.287 760 P CA -0.072 62.934 63.100 -0.156 0.000 0.800 760 P CB 1.554 33.148 31.700 -0.177 0.000 0.945 761 A N 3.677 126.551 122.820 0.091 0.000 3.179 761 A HA 0.112 4.432 4.320 -0.001 0.000 0.268 761 A C 1.117 178.698 177.584 -0.005 0.000 2.022 761 A CA 0.166 52.251 52.037 0.080 0.000 1.504 761 A CB -1.772 17.297 19.000 0.116 0.000 0.897 761 A HN 0.646 nan 8.150 nan 0.000 0.600 762 T N -1.445 113.094 114.554 -0.026 0.000 2.680 762 T HA 0.229 4.578 4.350 -0.001 0.000 0.314 762 T C -1.426 173.252 174.700 -0.037 0.000 1.045 762 T CA -0.750 61.324 62.100 -0.045 0.000 1.025 762 T CB 0.022 68.864 68.868 -0.044 0.000 1.000 762 T HN 0.220 nan 8.240 nan 0.000 0.535 763 P HA -0.115 nan 4.420 nan 0.000 0.215 763 P C 1.588 178.869 177.300 -0.032 0.000 1.157 763 P CA 1.352 64.429 63.100 -0.038 0.000 0.868 763 P CB -0.027 31.652 31.700 -0.036 0.000 0.788 764 E N 0.091 120.275 120.200 -0.028 0.000 2.048 764 E HA -0.289 4.060 4.350 -0.001 0.000 0.202 764 E C 1.967 178.555 176.600 -0.021 0.000 1.021 764 E CA 1.899 58.287 56.400 -0.021 0.000 0.825 764 E CB -0.876 28.815 29.700 -0.015 0.000 0.756 764 E HN 0.071 nan 8.360 nan 0.000 0.454 765 A N 0.316 123.126 122.820 -0.017 0.000 1.948 765 A HA -0.183 4.137 4.320 -0.001 0.000 0.220 765 A C 2.415 179.980 177.584 -0.032 0.000 1.177 765 A CA 1.834 53.864 52.037 -0.011 0.000 0.636 765 A CB -0.662 18.343 19.000 0.008 0.000 0.815 765 A HN 0.264 nan 8.150 nan 0.000 0.449 766 V N -0.430 119.458 119.914 -0.043 0.000 2.323 766 V HA -0.184 3.936 4.120 -0.001 0.000 0.244 766 V C 2.420 178.473 176.094 -0.068 0.000 1.041 766 V CA 1.657 63.916 62.300 -0.069 0.000 1.025 766 V CB -0.893 30.889 31.823 -0.068 0.000 0.656 766 V HN 0.576 nan 8.190 nan 0.000 0.451 767 L N 1.383 122.577 121.223 -0.049 0.000 2.079 767 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 767 L C 2.413 179.256 176.870 -0.044 0.000 1.081 767 L CA 2.359 57.174 54.840 -0.043 0.000 0.752 767 L CB -1.094 40.946 42.059 -0.031 0.000 0.896 767 L HN 0.227 nan 8.230 nan 0.000 0.433 768 A N -0.571 122.225 122.820 -0.041 0.000 1.902 768 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 768 A C 2.393 179.941 177.584 -0.060 0.000 1.181 768 A CA 1.717 53.731 52.037 -0.038 0.000 0.623 768 A CB -1.065 17.920 19.000 -0.025 0.000 0.818 768 A HN 0.570 nan 8.150 nan 0.000 0.443 769 A N -0.805 121.963 122.820 -0.086 0.000 2.067 769 A HA 0.210 4.529 4.320 -0.001 0.000 0.217 769 A C 2.111 179.616 177.584 -0.132 0.000 1.156 769 A CA 1.191 53.148 52.037 -0.134 0.000 0.683 769 A CB -0.591 18.292 19.000 -0.195 0.000 0.808 769 A HN 0.295 nan 8.150 nan 0.000 0.455 770 V N 0.786 120.637 119.914 -0.105 0.000 2.255 770 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 770 V C 2.683 178.741 176.094 -0.059 0.000 1.051 770 V CA 2.320 64.567 62.300 -0.089 0.000 1.018 770 V CB -0.808 30.974 31.823 -0.068 0.000 0.641 770 V HN 0.572 nan 8.190 nan 0.000 0.445 771 R N 0.075 120.549 120.500 -0.044 0.000 2.083 771 R HA -0.171 4.168 4.340 -0.001 0.000 0.237 771 R C 2.423 178.718 176.300 -0.008 0.000 1.137 771 R CA 1.608 57.695 56.100 -0.021 0.000 0.951 771 R CB -0.573 29.716 30.300 -0.018 0.000 0.851 771 R HN 0.499 nan 8.270 nan 0.000 0.434 772 R N 0.660 121.144 120.500 -0.026 0.000 2.105 772 R HA -0.093 4.246 4.340 -0.001 0.000 0.239 772 R C 2.406 178.737 176.300 0.052 0.000 1.135 772 R CA 1.418 57.513 56.100 -0.008 0.000 0.967 772 R CB -0.431 29.843 30.300 -0.043 0.000 0.861 772 R HN 0.250 nan 8.270 nan 0.000 0.442 773 A N 1.170 123.993 122.820 0.006 0.000 1.898 773 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 773 A C 1.866 179.491 177.584 0.069 0.000 1.181 773 A CA 1.283 53.337 52.037 0.029 0.000 0.620 773 A CB -0.283 18.672 19.000 -0.075 0.000 0.819 773 A HN 0.293 nan 8.150 nan 0.000 0.442 774 E N -1.773 118.450 120.200 0.038 0.000 2.268 774 E HA 0.105 4.454 4.350 -0.001 0.000 0.195 774 E C 1.320 177.987 176.600 0.113 0.000 0.995 774 E CA 0.530 56.949 56.400 0.032 0.000 0.836 774 E CB -0.166 29.538 29.700 0.007 0.000 0.763 774 E HN 0.780 nan 8.360 nan 0.000 0.491 775 G N 1.196 110.121 108.800 0.209 0.000 2.176 775 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.253 775 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.253 775 G C 0.525 175.471 174.900 0.075 0.000 0.979 775 G CA 0.172 45.405 45.100 0.221 0.000 0.641 775 G HN 0.196 nan 8.290 nan 0.000 0.530 776 R N 0.681 121.208 120.500 0.045 0.000 3.907 776 R HA 0.547 4.886 4.340 -0.001 0.000 0.241 776 R C 1.015 177.319 176.300 0.007 0.000 1.784 776 R CA 0.820 56.931 56.100 0.019 0.000 1.509 776 R CB -0.557 29.748 30.300 0.010 0.000 1.275 776 R HN 1.748 nan 8.270 nan 0.000 0.642 777 A N 0.000 122.821 122.820 0.002 0.000 2.254 777 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 777 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 777 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486