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 2w3r_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK 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 0.000 174.487 174.600 -0.188 0.000 1.055 2 S CA 0.000 58.114 58.200 -0.143 0.000 1.107 2 S CB 0.000 63.132 63.200 -0.114 0.000 0.593 3 V N 2.747 122.477 119.914 -0.306 0.000 2.694 3 V HA 0.418 4.574 4.120 0.061 0.000 0.306 3 V C 1.863 177.792 176.094 -0.274 0.000 1.054 3 V CA 1.695 63.768 62.300 -0.377 0.000 1.161 3 V CB 0.267 31.599 31.823 -0.817 0.000 0.916 3 V HN 1.003 nan 8.190 nan 0.000 0.490 4 G N 3.477 112.164 108.800 -0.189 0.000 2.234 4 G HA2 -0.208 3.788 3.960 0.061 0.000 0.235 4 G HA3 -0.208 3.788 3.960 0.061 0.000 0.235 4 G C 0.297 175.142 174.900 -0.092 0.000 0.997 4 G CA 0.034 45.058 45.100 -0.127 0.000 0.623 4 G HN 0.589 nan 8.290 nan 0.000 0.514 5 K N 1.758 122.101 120.400 -0.094 0.000 2.270 5 K HA 0.362 4.718 4.320 0.061 0.000 0.276 5 K C -2.241 174.327 176.600 -0.053 0.000 1.023 5 K CA -1.241 55.005 56.287 -0.068 0.000 0.955 5 K CB 1.541 34.001 32.500 -0.067 0.000 0.975 5 K HN 0.063 nan 8.250 nan 0.000 0.471 6 P HA 0.103 nan 4.420 nan 0.000 0.230 6 P C -0.595 176.693 177.300 -0.020 0.000 1.791 6 P CA 0.046 63.130 63.100 -0.027 0.000 1.020 6 P CB -0.117 31.569 31.700 -0.022 0.000 1.977 7 L N 3.058 124.266 121.223 -0.025 0.000 2.395 7 L HA 0.392 4.769 4.340 0.061 0.000 0.269 7 L C -1.483 175.387 176.870 0.000 0.000 1.133 7 L CA -2.300 52.529 54.840 -0.018 0.000 0.812 7 L CB 0.193 42.233 42.059 -0.031 0.000 1.125 7 L HN 0.050 nan 8.230 nan 0.000 0.452 8 P HA -0.021 nan 4.420 nan 0.000 0.273 8 P C -0.454 176.887 177.300 0.069 0.000 1.250 8 P CA -0.310 62.821 63.100 0.051 0.000 0.793 8 P CB 0.381 32.110 31.700 0.049 0.000 1.011 9 H N 1.187 120.272 119.070 0.024 0.000 3.016 9 H HA -0.103 4.488 4.556 0.059 0.000 0.345 9 H C 1.038 176.364 175.328 -0.003 0.000 1.066 9 H CA 1.387 57.455 56.048 0.034 0.000 1.390 9 H CB 0.577 30.391 29.762 0.088 0.000 1.344 9 H HN 0.524 nan 8.280 nan 0.000 0.605 10 D N 1.144 121.441 120.400 -0.171 0.000 2.218 10 D HA -0.114 4.563 4.640 0.061 0.000 0.204 10 D C 0.622 176.945 176.300 0.039 0.000 0.976 10 D CA 1.258 55.231 54.000 -0.046 0.000 0.853 10 D CB 0.147 40.904 40.800 -0.071 0.000 0.939 10 D HN 0.179 nan 8.370 nan 0.000 0.481 11 S N -0.916 114.887 115.700 0.171 0.000 2.664 11 S HA 0.490 4.996 4.470 0.061 0.000 0.245 11 S C 1.443 175.683 174.600 -0.600 0.000 1.019 11 S CA -0.083 57.999 58.200 -0.197 0.000 0.996 11 S CB 0.873 63.944 63.200 -0.215 0.000 0.878 11 S HN 0.476 nan 8.310 nan 0.000 0.493 12 A N 2.222 124.906 122.820 -0.227 0.000 1.940 12 A HA -0.126 4.230 4.320 0.061 0.000 0.219 12 A C 2.065 179.596 177.584 -0.089 0.000 1.176 12 A CA 1.343 53.302 52.037 -0.130 0.000 0.631 12 A CB -0.362 18.668 19.000 0.049 0.000 0.814 12 A HN 0.442 nan 8.150 nan 0.000 0.446 13 R N -0.747 119.705 120.500 -0.079 0.000 2.115 13 R HA 0.008 4.385 4.340 0.061 0.000 0.226 13 R C 2.278 178.556 176.300 -0.035 0.000 1.100 13 R CA 1.093 57.172 56.100 -0.034 0.000 0.980 13 R CB -0.276 30.009 30.300 -0.025 0.000 0.875 13 R HN 0.468 nan 8.270 nan 0.000 0.445 14 A N -0.086 122.675 122.820 -0.098 0.000 1.929 14 A HA -0.144 4.213 4.320 0.061 0.000 0.216 14 A C 1.636 179.252 177.584 0.053 0.000 1.176 14 A CA 1.245 53.251 52.037 -0.052 0.000 0.628 14 A CB -0.649 18.295 19.000 -0.093 0.000 0.816 14 A HN 0.513 nan 8.150 nan 0.000 0.444 15 H N -1.858 117.233 119.070 0.036 0.000 2.353 15 H HA -0.054 4.537 4.556 0.059 0.000 0.300 15 H C 1.970 177.331 175.328 0.055 0.000 1.090 15 H CA 1.042 57.124 56.048 0.056 0.000 1.327 15 H CB 0.056 29.834 29.762 0.027 0.000 1.383 15 H HN 0.297 nan 8.280 nan 0.000 0.508 16 V N 1.134 121.143 119.914 0.158 0.000 3.041 16 V HA -0.102 4.055 4.120 0.061 0.000 0.260 16 V C 1.672 177.812 176.094 0.076 0.000 1.105 16 V CA 1.916 64.278 62.300 0.104 0.000 1.125 16 V CB -0.096 31.773 31.823 0.076 0.000 0.730 16 V HN 0.627 nan 8.190 nan 0.000 0.479 17 T N -3.488 111.109 114.554 0.070 0.000 3.182 17 T HA 0.345 4.731 4.350 0.061 0.000 0.277 17 T C 1.211 175.948 174.700 0.061 0.000 1.013 17 T CA 0.375 62.507 62.100 0.053 0.000 0.900 17 T CB 0.386 69.274 68.868 0.035 0.000 1.098 17 T HN 0.879 nan 8.240 nan 0.000 0.543 18 G N 1.855 110.708 108.800 0.089 0.000 2.356 18 G HA2 -0.284 3.713 3.960 0.061 0.000 0.296 18 G HA3 -0.284 3.713 3.960 0.061 0.000 0.296 18 G C 0.466 175.418 174.900 0.086 0.000 1.022 18 G CA 0.672 45.832 45.100 0.101 0.000 0.961 18 G HN 0.605 nan 8.290 nan 0.000 0.510 19 Q N -0.991 118.854 119.800 0.075 0.000 2.353 19 Q HA 0.426 4.803 4.340 0.061 0.000 0.240 19 Q C 1.632 177.643 176.000 0.019 0.000 0.868 19 Q CA 0.396 56.223 55.803 0.039 0.000 0.944 19 Q CB 0.689 29.438 28.738 0.018 0.000 1.104 19 Q HN 0.832 nan 8.270 nan 0.000 0.531 20 A N 1.841 124.682 122.820 0.034 0.000 2.488 20 A HA 0.206 4.563 4.320 0.061 0.000 0.249 20 A C -0.322 177.171 177.584 -0.150 0.000 1.083 20 A CA 0.074 52.074 52.037 -0.062 0.000 0.768 20 A CB 0.112 19.113 19.000 0.002 0.000 1.017 20 A HN 0.174 nan 8.150 nan 0.000 0.496 21 R N 1.482 121.854 120.500 -0.213 0.000 2.297 21 R HA 0.499 4.875 4.340 0.061 0.000 0.308 21 R C -1.210 174.874 176.300 -0.361 0.000 1.029 21 R CA -0.079 55.923 56.100 -0.164 0.000 0.929 21 R CB 0.815 31.061 30.300 -0.089 0.000 1.046 21 R HN 0.755 nan 8.270 nan 0.000 0.461 22 Y N 0.767 121.073 120.300 0.009 0.000 2.618 22 Y HA 0.164 4.753 4.550 0.064 0.000 0.326 22 Y C 1.432 177.323 175.900 -0.015 0.000 1.168 22 Y CA -0.889 57.211 58.100 0.000 0.000 1.269 22 Y CB 0.520 38.978 38.460 -0.002 0.000 1.388 22 Y HN 0.405 nan 8.280 nan 0.000 0.528 23 L N 0.724 122.030 121.223 0.139 0.000 1.997 23 L HA -0.280 4.096 4.340 0.061 0.000 0.216 23 L C 1.703 178.597 176.870 0.041 0.000 1.074 23 L CA 2.369 57.242 54.840 0.056 0.000 0.763 23 L CB -0.386 41.697 42.059 0.041 0.000 0.890 23 L HN 0.799 nan 8.230 nan 0.000 0.434 24 D N -0.972 119.464 120.400 0.059 0.000 2.264 24 D HA -0.162 4.515 4.640 0.061 0.000 0.208 24 D C 1.547 177.873 176.300 0.044 0.000 0.966 24 D CA 0.976 55.001 54.000 0.042 0.000 0.864 24 D CB -0.049 40.765 40.800 0.023 0.000 0.933 24 D HN 0.493 nan 8.370 nan 0.000 0.499 25 D N -0.412 120.026 120.400 0.063 0.000 2.277 25 D HA -0.017 4.660 4.640 0.061 0.000 0.208 25 D C 0.628 176.936 176.300 0.012 0.000 0.962 25 D CA 0.065 54.096 54.000 0.051 0.000 0.865 25 D CB -0.107 40.745 40.800 0.087 0.000 0.939 25 D HN 0.293 nan 8.370 nan 0.000 0.510 26 L N 3.078 124.292 121.223 -0.014 0.000 2.525 26 L HA 0.076 4.452 4.340 0.061 0.000 0.278 26 L C -1.787 175.059 176.870 -0.040 0.000 1.218 26 L CA -1.158 53.647 54.840 -0.059 0.000 0.878 26 L CB -0.334 41.648 42.059 -0.128 0.000 1.127 26 L HN -0.112 nan 8.230 nan 0.000 0.492 27 P HA 0.146 nan 4.420 nan 0.000 0.271 27 P C -0.940 176.340 177.300 -0.032 0.000 1.216 27 P CA -0.469 62.616 63.100 -0.024 0.000 0.776 27 P CB 0.883 32.570 31.700 -0.023 0.000 0.881 28 C N 1.494 120.787 119.300 -0.012 0.000 3.086 28 C HA 0.692 5.189 4.460 0.061 0.000 0.311 28 C C -2.748 172.243 174.990 0.002 0.000 1.260 28 C CA -2.399 56.612 59.018 -0.013 0.000 1.426 28 C CB 0.400 28.128 27.740 -0.021 0.000 1.826 28 C HN 0.356 nan 8.230 nan 0.000 0.474 29 P HA 0.281 nan 4.420 nan 0.000 0.269 29 P C 0.904 178.214 177.300 0.018 0.000 1.211 29 P CA 0.449 63.554 63.100 0.008 0.000 0.781 29 P CB 0.427 32.131 31.700 0.006 0.000 0.877 30 A N 2.622 125.456 122.820 0.024 0.000 1.986 30 A HA -0.223 4.133 4.320 0.061 0.000 0.220 30 A C 1.548 179.157 177.584 0.042 0.000 1.171 30 A CA 1.962 54.021 52.037 0.036 0.000 0.640 30 A CB -1.123 17.895 19.000 0.030 0.000 0.811 30 A HN 0.755 nan 8.150 nan 0.000 0.451 31 N N -0.200 118.517 118.700 0.029 0.000 2.383 31 N HA -0.002 4.775 4.740 0.061 0.000 0.192 31 N C -0.314 175.204 175.510 0.013 0.000 1.141 31 N CA 0.639 53.706 53.050 0.028 0.000 0.851 31 N CB -1.105 37.396 38.487 0.023 0.000 0.976 31 N HN 0.182 nan 8.380 nan 0.000 0.465 32 T N 1.974 116.523 114.554 -0.008 0.000 2.908 32 T HA 0.115 4.502 4.350 0.061 0.000 0.301 32 T C 0.573 175.182 174.700 -0.151 0.000 1.019 32 T CA 0.018 62.064 62.100 -0.091 0.000 1.152 32 T CB 0.629 69.416 68.868 -0.134 0.000 0.966 32 T HN 0.137 nan 8.240 nan 0.000 0.540 33 L N 3.515 124.638 121.223 -0.166 0.000 2.387 33 L HA 0.502 4.878 4.340 0.061 0.000 0.266 33 L C 0.595 177.274 176.870 -0.319 0.000 1.059 33 L CA -1.022 53.754 54.840 -0.106 0.000 0.801 33 L CB 0.778 42.843 42.059 0.010 0.000 1.223 33 L HN 0.628 nan 8.230 nan 0.000 0.456 34 H N 2.191 121.295 119.070 0.056 0.000 2.600 34 H HA 0.567 5.162 4.556 0.065 0.000 0.357 34 H C -0.983 174.362 175.328 0.028 0.000 1.106 34 H CA -0.619 55.466 56.048 0.063 0.000 1.193 34 H CB 2.252 32.077 29.762 0.105 0.000 1.594 34 H HN 0.322 nan 8.280 nan 0.000 0.526 35 L N 1.262 122.542 121.223 0.095 0.000 2.319 35 L HA 0.855 5.231 4.340 0.061 0.000 0.267 35 L C -0.062 176.760 176.870 -0.080 0.000 1.011 35 L CA -1.102 53.736 54.840 -0.003 0.000 0.818 35 L CB 1.962 43.982 42.059 -0.066 0.000 1.316 35 L HN 0.598 nan 8.230 nan 0.000 0.432 36 A N 0.909 123.660 122.820 -0.114 0.000 2.549 36 A HA 0.742 5.099 4.320 0.061 0.000 0.297 36 A C -1.358 176.129 177.584 -0.161 0.000 1.061 36 A CA -0.438 51.510 52.037 -0.149 0.000 0.690 36 A CB 1.093 20.029 19.000 -0.108 0.000 1.287 36 A HN 0.524 nan 8.150 nan 0.000 0.402 37 F N 0.969 120.883 119.950 -0.060 0.000 2.375 37 F HA 0.500 5.065 4.527 0.064 0.000 0.333 37 F C 1.372 176.924 175.800 -0.414 0.000 1.104 37 F CA -0.037 57.845 58.000 -0.196 0.000 1.149 37 F CB 1.672 40.591 39.000 -0.134 0.000 1.190 37 F HN 0.675 nan 8.300 nan 0.000 0.533 38 G N 4.251 112.643 108.800 -0.680 0.000 2.319 38 G HA2 0.556 4.553 3.960 0.061 0.000 0.308 38 G HA3 0.556 4.553 3.960 0.061 0.000 0.308 38 G C -0.877 173.689 174.900 -0.557 0.000 1.117 38 G CA -0.595 43.892 45.100 -1.021 0.000 0.903 38 G HN 0.489 nan 8.290 nan 0.000 0.436 39 L N 1.625 122.675 121.223 -0.288 0.000 2.360 39 L HA 0.454 4.830 4.340 0.061 0.000 0.271 39 L C 1.064 177.834 176.870 -0.167 0.000 1.057 39 L CA -0.894 53.797 54.840 -0.248 0.000 0.803 39 L CB 1.706 43.617 42.059 -0.247 0.000 1.207 39 L HN 0.528 nan 8.230 nan 0.000 0.445 40 S N -0.069 115.499 115.700 -0.220 0.000 2.549 40 S HA 0.060 4.567 4.470 0.061 0.000 0.283 40 S C 0.998 175.473 174.600 -0.209 0.000 1.320 40 S CA -0.183 57.932 58.200 -0.141 0.000 1.058 40 S CB 0.588 63.638 63.200 -0.250 0.000 0.882 40 S HN 0.765 nan 8.310 nan 0.000 0.498 41 T N 1.375 115.816 114.554 -0.188 0.000 3.086 41 T HA 0.314 4.701 4.350 0.061 0.000 0.250 41 T C 0.025 174.493 174.700 -0.386 0.000 1.074 41 T CA -0.229 61.721 62.100 -0.250 0.000 0.988 41 T CB 0.010 68.781 68.868 -0.161 0.000 0.988 41 T HN 0.538 nan 8.240 nan 0.000 0.530 42 E N 0.615 120.500 120.200 -0.525 0.000 2.199 42 E HA 0.630 5.016 4.350 0.061 0.000 0.269 42 E C 0.603 177.017 176.600 -0.310 0.000 0.899 42 E CA -0.443 55.660 56.400 -0.495 0.000 0.772 42 E CB 1.982 31.217 29.700 -0.774 0.000 1.155 42 E HN 0.189 nan 8.360 nan 0.000 0.408 43 A N 2.380 125.073 122.820 -0.212 0.000 1.968 43 A HA -0.027 4.330 4.320 0.061 0.000 0.217 43 A C 1.018 178.538 177.584 -0.107 0.000 1.169 43 A CA 0.960 52.920 52.037 -0.128 0.000 0.638 43 A CB 0.337 19.287 19.000 -0.084 0.000 0.812 43 A HN 0.325 nan 8.150 nan 0.000 0.446 44 S N -1.947 113.675 115.700 -0.129 0.000 2.652 44 S HA 0.609 5.115 4.470 0.061 0.000 0.273 44 S C -0.813 173.719 174.600 -0.112 0.000 1.172 44 S CA 0.215 58.343 58.200 -0.121 0.000 1.009 44 S CB 0.752 63.908 63.200 -0.073 0.000 1.094 44 S HN 1.587 nan 8.310 nan 0.000 0.471 45 A N 2.773 125.530 122.820 -0.106 0.000 2.540 45 A HA 0.913 5.270 4.320 0.061 0.000 0.291 45 A C -1.190 176.397 177.584 0.006 0.000 1.083 45 A CA -0.207 51.820 52.037 -0.017 0.000 0.650 45 A CB 0.505 19.534 19.000 0.047 0.000 1.292 45 A HN 1.642 nan 8.150 nan 0.000 0.435 46 A N 0.176 123.025 122.820 0.048 0.000 2.317 46 A HA 0.717 5.074 4.320 0.061 0.000 0.327 46 A C -0.486 177.114 177.584 0.027 0.000 1.178 46 A CA -0.463 51.589 52.037 0.024 0.000 0.817 46 A CB 0.199 19.203 19.000 0.007 0.000 1.189 46 A HN 0.825 nan 8.150 nan 0.000 0.489 47 I N 2.852 123.405 120.570 -0.028 0.000 2.406 47 I HA 0.089 4.295 4.170 0.061 0.000 0.293 47 I C 1.057 177.110 176.117 -0.107 0.000 1.101 47 I CA 0.032 61.251 61.300 -0.135 0.000 1.334 47 I CB 0.753 38.677 38.000 -0.126 0.000 1.421 47 I HN 0.778 nan 8.210 nan 0.000 0.513 48 T N 3.817 118.295 114.554 -0.127 0.000 2.976 48 T HA 0.130 4.516 4.350 0.061 0.000 0.257 48 T C 0.812 175.459 174.700 -0.088 0.000 1.051 48 T CA 0.475 62.528 62.100 -0.079 0.000 1.141 48 T CB 0.244 69.081 68.868 -0.053 0.000 0.881 48 T HN 0.757 nan 8.240 nan 0.000 0.461 49 G N 0.516 109.238 108.800 -0.130 0.000 2.719 49 G HA2 0.589 4.586 3.960 0.061 0.000 0.298 49 G HA3 0.589 4.586 3.960 0.061 0.000 0.298 49 G C -2.108 172.705 174.900 -0.144 0.000 1.411 49 G CA -0.480 44.552 45.100 -0.113 0.000 0.991 49 G HN 0.147 nan 8.290 nan 0.000 0.509 50 L N 1.887 123.040 121.223 -0.116 0.000 2.490 50 L HA 0.470 4.846 4.340 0.061 0.000 0.256 50 L C -1.067 175.724 176.870 -0.131 0.000 1.089 50 L CA -0.787 53.977 54.840 -0.127 0.000 0.916 50 L CB 1.533 43.532 42.059 -0.099 0.000 1.188 50 L HN 0.515 nan 8.230 nan 0.000 0.476 51 D N 3.545 123.862 120.400 -0.137 0.000 2.411 51 D HA 0.269 4.945 4.640 0.061 0.000 0.225 51 D C 0.411 176.597 176.300 -0.191 0.000 1.156 51 D CA 0.059 53.979 54.000 -0.133 0.000 0.874 51 D CB 0.693 41.434 40.800 -0.098 0.000 1.034 51 D HN 0.523 nan 8.370 nan 0.000 0.502 52 L N 3.069 124.161 121.223 -0.218 0.000 2.741 52 L HA 0.246 4.622 4.340 0.061 0.000 0.237 52 L C 1.595 178.342 176.870 -0.204 0.000 1.178 52 L CA -0.166 54.492 54.840 -0.304 0.000 0.973 52 L CB 0.212 42.056 42.059 -0.358 0.000 1.255 52 L HN 0.325 nan 8.230 nan 0.000 0.498 53 E N 1.501 121.615 120.200 -0.143 0.000 2.046 53 E HA -0.105 4.282 4.350 0.061 0.000 0.190 53 E C -0.691 175.857 176.600 -0.087 0.000 0.982 53 E CA 1.242 57.581 56.400 -0.102 0.000 0.800 53 E CB -0.517 29.137 29.700 -0.077 0.000 0.756 53 E HN 0.224 nan 8.360 nan 0.000 0.449 54 P HA -0.130 nan 4.420 nan 0.000 0.220 54 P C 1.141 178.407 177.300 -0.058 0.000 1.148 54 P CA 0.929 63.994 63.100 -0.058 0.000 0.803 54 P CB 0.104 31.774 31.700 -0.048 0.000 0.782 55 V N 0.123 119.980 119.914 -0.095 0.000 2.270 55 V HA -0.223 3.934 4.120 0.061 0.000 0.245 55 V C 2.460 178.518 176.094 -0.060 0.000 1.043 55 V CA 1.750 64.001 62.300 -0.081 0.000 1.014 55 V CB -1.052 30.660 31.823 -0.185 0.000 0.645 55 V HN 0.056 nan 8.190 nan 0.000 0.447 56 R N -0.009 120.439 120.500 -0.087 0.000 2.105 56 R HA -0.182 4.194 4.340 0.061 0.000 0.239 56 R C 2.215 178.487 176.300 -0.046 0.000 1.135 56 R CA 1.680 57.737 56.100 -0.070 0.000 0.967 56 R CB -0.273 29.975 30.300 -0.086 0.000 0.861 56 R HN 0.629 nan 8.270 nan 0.000 0.442 57 E N 0.295 120.469 120.200 -0.042 0.000 2.358 57 E HA -0.007 4.379 4.350 0.061 0.000 0.195 57 E C 0.404 176.994 176.600 -0.017 0.000 1.010 57 E CA -0.055 56.328 56.400 -0.028 0.000 0.856 57 E CB 0.230 29.912 29.700 -0.029 0.000 0.795 57 E HN 0.020 nan 8.360 nan 0.000 0.504 58 S N 1.510 117.202 115.700 -0.013 0.000 2.560 58 S HA 0.060 4.567 4.470 0.061 0.000 0.284 58 S C -2.346 172.256 174.600 0.004 0.000 1.327 58 S CA -1.541 56.658 58.200 -0.001 0.000 1.055 58 S CB 0.406 63.611 63.200 0.008 0.000 0.868 58 S HN -0.153 nan 8.310 nan 0.000 0.506 59 P HA 0.073 nan 4.420 nan 0.000 0.263 59 P C 0.673 177.983 177.300 0.016 0.000 1.168 59 P CA 1.338 64.444 63.100 0.010 0.000 0.759 59 P CB -0.015 31.692 31.700 0.011 0.000 0.782 60 G N 1.540 110.350 108.800 0.017 0.000 2.225 60 G HA2 -0.221 3.775 3.960 0.061 0.000 0.267 60 G HA3 -0.221 3.775 3.960 0.061 0.000 0.267 60 G C 0.059 174.978 174.900 0.031 0.000 1.024 60 G CA -0.098 45.017 45.100 0.026 0.000 0.784 60 G HN 0.513 nan 8.290 nan 0.000 0.507 61 V N 1.217 121.143 119.914 0.021 0.000 2.407 61 V HA 0.384 4.540 4.120 0.061 0.000 0.278 61 V C 1.417 177.516 176.094 0.008 0.000 1.037 61 V CA -0.791 61.521 62.300 0.020 0.000 0.900 61 V CB 1.411 33.240 31.823 0.009 0.000 0.983 61 V HN 0.146 nan 8.190 nan 0.000 0.459 62 I N 3.029 123.610 120.570 0.017 0.000 2.729 62 I HA 0.351 4.558 4.170 0.061 0.000 0.256 62 I C 0.998 177.094 176.117 -0.035 0.000 1.115 62 I CA 0.922 62.226 61.300 0.007 0.000 1.446 62 I CB -0.223 37.799 38.000 0.037 0.000 1.176 62 I HN 0.673 nan 8.210 nan 0.000 0.446 63 A N 0.434 123.221 122.820 -0.055 0.000 2.539 63 A HA 0.724 5.081 4.320 0.061 0.000 0.296 63 A C -1.224 176.185 177.584 -0.292 0.000 1.073 63 A CA -0.361 51.533 52.037 -0.237 0.000 0.700 63 A CB 2.078 20.906 19.000 -0.287 0.000 1.296 63 A HN -0.142 nan 8.150 nan 0.000 0.405 64 V N 1.368 120.993 119.914 -0.482 0.000 2.588 64 V HA 0.624 4.781 4.120 0.061 0.000 0.304 64 V C -1.327 174.489 176.094 -0.464 0.000 1.042 64 V CA -0.279 61.850 62.300 -0.286 0.000 0.877 64 V CB 1.377 33.112 31.823 -0.147 0.000 0.996 64 V HN 0.732 nan 8.190 nan 0.000 0.425 65 F N 1.554 121.591 119.950 0.145 0.000 2.532 65 F HA 0.730 5.294 4.527 0.062 0.000 0.321 65 F C 0.556 176.463 175.800 0.179 0.000 1.089 65 F CA -0.434 57.648 58.000 0.137 0.000 0.926 65 F CB 2.497 41.580 39.000 0.137 0.000 1.168 65 F HN 0.354 nan 8.300 nan 0.000 0.459 66 T N 0.772 115.511 114.554 0.310 0.000 2.930 66 T HA 0.474 4.860 4.350 0.061 0.000 0.290 66 T C 0.968 175.788 174.700 0.200 0.000 1.052 66 T CA -0.151 62.088 62.100 0.231 0.000 1.017 66 T CB 1.850 70.798 68.868 0.134 0.000 1.137 66 T HN 0.689 nan 8.240 nan 0.000 0.511 67 A N 1.042 123.955 122.820 0.156 0.000 1.997 67 A HA -0.078 4.279 4.320 0.061 0.000 0.221 67 A C 2.400 180.044 177.584 0.100 0.000 1.172 67 A CA 2.348 54.457 52.037 0.120 0.000 0.645 67 A CB -1.144 17.917 19.000 0.101 0.000 0.813 67 A HN 0.941 nan 8.150 nan 0.000 0.454 68 A N -0.283 122.592 122.820 0.092 0.000 1.933 68 A HA -0.175 4.182 4.320 0.061 0.000 0.218 68 A C 1.722 179.353 177.584 0.079 0.000 1.175 68 A CA 1.694 53.772 52.037 0.069 0.000 0.628 68 A CB -0.450 18.581 19.000 0.052 0.000 0.814 68 A HN 0.530 nan 8.150 nan 0.000 0.444 69 D N -0.193 120.283 120.400 0.126 0.000 2.269 69 D HA 0.019 4.696 4.640 0.061 0.000 0.208 69 D C 0.410 176.798 176.300 0.147 0.000 0.963 69 D CA 0.280 54.381 54.000 0.168 0.000 0.864 69 D CB -0.193 40.788 40.800 0.302 0.000 0.936 69 D HN 0.384 nan 8.370 nan 0.000 0.505 70 L N 3.357 124.649 121.223 0.114 0.000 2.562 70 L HA 0.014 4.391 4.340 0.061 0.000 0.271 70 L C -0.749 176.132 176.870 0.018 0.000 1.167 70 L CA -0.993 53.887 54.840 0.067 0.000 0.917 70 L CB 0.354 42.455 42.059 0.070 0.000 1.187 70 L HN -0.103 nan 8.230 nan 0.000 0.482 71 P HA -0.127 nan 4.420 nan 0.000 0.216 71 P C 0.234 177.264 177.300 -0.449 0.000 1.150 71 P CA 1.623 64.614 63.100 -0.181 0.000 0.837 71 P CB 0.344 32.004 31.700 -0.068 0.000 0.786 72 H N -2.045 117.047 119.070 0.037 0.000 4.528 72 H HA 0.297 4.889 4.556 0.061 0.000 0.354 72 H C -0.221 175.132 175.328 0.042 0.000 1.295 72 H CA -0.711 55.362 56.048 0.040 0.000 0.752 72 H CB -0.880 28.909 29.762 0.044 0.000 1.173 72 H HN -0.239 nan 8.280 nan 0.000 0.650 73 D N 0.780 121.308 120.400 0.213 0.000 2.506 73 D HA 0.024 4.700 4.640 0.061 0.000 0.234 73 D C 0.042 176.392 176.300 0.082 0.000 1.143 73 D CA 0.561 54.630 54.000 0.115 0.000 0.871 73 D CB 0.234 41.094 40.800 0.100 0.000 1.190 73 D HN 0.345 nan 8.370 nan 0.000 0.459 74 N N 1.862 120.597 118.700 0.057 0.000 2.660 74 N HA 0.093 4.869 4.740 0.061 0.000 0.316 74 N C -1.767 173.759 175.510 0.025 0.000 1.774 74 N CA -0.470 52.609 53.050 0.048 0.000 0.946 74 N CB 0.170 38.695 38.487 0.064 0.000 1.322 74 N HN 0.219 nan 8.380 nan 0.000 0.492 75 D N -0.581 119.820 120.400 0.001 0.000 2.649 75 D HA 0.624 5.301 4.640 0.061 0.000 0.249 75 D C -0.408 175.852 176.300 -0.067 0.000 1.112 75 D CA -0.597 53.387 54.000 -0.026 0.000 0.850 75 D CB 1.923 42.708 40.800 -0.026 0.000 1.399 75 D HN 0.148 nan 8.370 nan 0.000 0.503 76 A N 2.420 125.169 122.820 -0.117 0.000 2.600 76 A HA 0.233 4.590 4.320 0.061 0.000 0.252 76 A C 0.613 178.155 177.584 -0.070 0.000 1.200 76 A CA -0.221 51.709 52.037 -0.179 0.000 0.981 76 A CB 0.236 18.873 19.000 -0.604 0.000 1.207 76 A HN 0.356 nan 8.150 nan 0.000 0.577 77 S N 1.392 117.056 115.700 -0.061 0.000 2.565 77 S HA 0.369 4.876 4.470 0.061 0.000 0.276 77 S C -1.203 173.357 174.600 -0.066 0.000 1.326 77 S CA -1.139 57.023 58.200 -0.064 0.000 1.045 77 S CB 0.889 64.018 63.200 -0.118 0.000 0.918 77 S HN 0.266 nan 8.310 nan 0.000 0.505 78 P HA 0.113 nan 4.420 nan 0.000 0.233 78 P C 0.115 177.378 177.300 -0.062 0.000 1.167 78 P CA 0.348 63.411 63.100 -0.062 0.000 0.770 78 P CB -0.058 31.637 31.700 -0.009 0.000 0.837 79 A N 0.951 123.727 122.820 -0.074 0.000 2.271 79 A HA 0.456 4.813 4.320 0.061 0.000 0.288 79 A C -1.307 176.239 177.584 -0.063 0.000 1.094 79 A CA -1.356 50.638 52.037 -0.071 0.000 0.828 79 A CB -0.290 18.642 19.000 -0.114 0.000 1.091 79 A HN -0.082 nan 8.150 nan 0.000 0.493 80 P HA -0.044 nan 4.420 nan 0.000 0.218 80 P C 0.448 177.727 177.300 -0.035 0.000 1.149 80 P CA 1.295 64.376 63.100 -0.032 0.000 0.817 80 P CB -0.115 31.575 31.700 -0.018 0.000 0.785 81 S N 0.952 116.627 115.700 -0.041 0.000 2.531 81 S HA 0.264 4.771 4.470 0.061 0.000 0.279 81 S C -2.207 172.360 174.600 -0.055 0.000 1.305 81 S CA -1.351 56.828 58.200 -0.035 0.000 1.058 81 S CB -0.320 62.867 63.200 -0.022 0.000 0.899 81 S HN 0.030 nan 8.310 nan 0.000 0.493 82 P HA 0.204 nan 4.420 nan 0.000 0.271 82 P C -0.724 176.543 177.300 -0.056 0.000 1.218 82 P CA -0.134 62.946 63.100 -0.034 0.000 0.780 82 P CB 0.480 32.179 31.700 -0.001 0.000 0.901 83 E N 3.182 123.349 120.200 -0.055 0.000 2.265 83 E HA 0.340 4.727 4.350 0.061 0.000 0.262 83 E C -2.628 174.017 176.600 0.074 0.000 0.889 83 E CA -2.703 53.666 56.400 -0.050 0.000 0.789 83 E CB 2.095 31.682 29.700 -0.189 0.000 1.221 83 E HN 0.249 nan 8.360 nan 0.000 0.414 84 P HA 0.018 nan 4.420 nan 0.000 0.275 84 P C 0.694 178.090 177.300 0.160 0.000 1.228 84 P CA -0.268 62.932 63.100 0.167 0.000 0.786 84 P CB 1.610 33.430 31.700 0.200 0.000 0.927 85 V N 2.470 122.408 119.914 0.041 0.000 2.407 85 V HA -0.045 4.112 4.120 0.061 0.000 0.245 85 V C 1.246 177.349 176.094 0.014 0.000 1.041 85 V CA 1.379 63.679 62.300 0.000 0.000 1.040 85 V CB -0.625 31.197 31.823 -0.002 0.000 0.671 85 V HN 0.412 nan 8.190 nan 0.000 0.455 86 L N 0.487 121.746 121.223 0.059 0.000 2.341 86 L HA 0.701 5.078 4.340 0.061 0.000 0.278 86 L C 0.215 177.131 176.870 0.077 0.000 1.005 86 L CA -0.803 54.070 54.840 0.054 0.000 0.818 86 L CB 1.535 43.669 42.059 0.125 0.000 1.259 86 L HN 0.144 nan 8.230 nan 0.000 0.418 87 A N 1.509 124.358 122.820 0.049 0.000 2.584 87 A HA 0.216 4.573 4.320 0.061 0.000 0.239 87 A C 0.705 178.345 177.584 0.093 0.000 1.043 87 A CA 0.214 52.294 52.037 0.071 0.000 0.756 87 A CB -0.288 18.726 19.000 0.023 0.000 0.963 87 A HN 0.735 nan 8.150 nan 0.000 0.511 88 T N 0.910 115.537 114.554 0.122 0.000 3.477 88 T HA 0.505 4.892 4.350 0.061 0.000 0.347 88 T C 1.185 175.940 174.700 0.093 0.000 1.567 88 T CA 0.315 62.480 62.100 0.107 0.000 1.169 88 T CB -0.005 68.935 68.868 0.119 0.000 1.196 88 T HN 2.329 nan 8.240 nan 0.000 0.768 89 G N 2.298 111.134 108.800 0.060 0.000 2.245 89 G HA2 -0.249 3.748 3.960 0.061 0.000 0.264 89 G HA3 -0.249 3.748 3.960 0.061 0.000 0.264 89 G C -0.176 174.738 174.900 0.023 0.000 0.985 89 G CA 0.462 45.583 45.100 0.034 0.000 0.625 89 G HN 1.066 nan 8.290 nan 0.000 0.536 90 E N -1.435 118.786 120.200 0.036 0.000 2.412 90 E HA 0.671 5.058 4.350 0.061 0.000 0.279 90 E C -0.538 176.029 176.600 -0.055 0.000 0.984 90 E CA -0.807 55.581 56.400 -0.021 0.000 0.788 90 E CB 2.300 31.965 29.700 -0.058 0.000 1.277 90 E HN 1.077 nan 8.360 nan 0.000 0.455 91 V N -1.176 118.645 119.914 -0.154 0.000 2.769 91 V HA 0.497 4.653 4.120 0.061 0.000 0.312 91 V C -0.254 175.625 176.094 -0.358 0.000 1.061 91 V CA -0.514 61.678 62.300 -0.179 0.000 0.931 91 V CB 1.580 33.348 31.823 -0.092 0.000 1.010 91 V HN 0.919 nan 8.190 nan 0.000 0.433 92 H N 3.383 122.340 119.070 -0.188 0.000 2.986 92 H HA 0.396 4.988 4.556 0.061 0.000 0.267 92 H C -0.190 175.132 175.328 -0.009 0.000 1.072 92 H CA 0.860 56.869 56.048 -0.065 0.000 1.202 92 H CB 1.312 31.118 29.762 0.074 0.000 1.535 92 H HN 0.795 nan 8.280 nan 0.000 0.522 93 F N -1.879 117.885 119.950 -0.309 0.000 2.770 93 F HA 0.438 5.001 4.527 0.060 0.000 0.313 93 F C -1.729 173.936 175.800 -0.224 0.000 1.154 93 F CA -1.375 56.476 58.000 -0.249 0.000 0.923 93 F CB 0.923 39.770 39.000 -0.256 0.000 1.301 93 F HN -0.375 nan 8.300 nan 0.000 0.449 94 V N 2.840 122.601 119.914 -0.255 0.000 2.381 94 V HA 0.502 4.658 4.120 0.061 0.000 0.257 94 V C 0.787 176.581 176.094 -0.501 0.000 1.057 94 V CA 1.112 63.209 62.300 -0.339 0.000 1.013 94 V CB -0.219 31.528 31.823 -0.126 0.000 1.069 94 V HN 1.436 nan 8.190 nan 0.000 0.484 95 G N 3.849 112.197 108.800 -0.754 0.000 2.273 95 G HA2 -0.154 3.843 3.960 0.061 0.000 0.162 95 G HA3 -0.154 3.843 3.960 0.061 0.000 0.162 95 G C 0.184 174.544 174.900 -0.901 0.000 1.006 95 G CA -0.043 44.658 45.100 -0.664 0.000 0.704 95 G HN 0.640 nan 8.290 nan 0.000 0.487 96 Q N 1.596 120.580 119.800 -1.360 0.000 2.271 96 Q HA 0.405 4.782 4.340 0.061 0.000 0.273 96 Q C -2.314 173.398 176.000 -0.480 0.000 1.051 96 Q CA -1.398 53.867 55.803 -0.896 0.000 0.901 96 Q CB 0.708 28.934 28.738 -0.853 0.000 1.174 96 Q HN 0.157 nan 8.270 nan 0.000 0.385 97 P HA -0.045 nan 4.420 nan 0.000 0.264 97 P C -0.500 176.638 177.300 -0.269 0.000 1.193 97 P CA 0.675 63.488 63.100 -0.479 0.000 0.763 97 P CB 0.617 31.661 31.700 -1.093 0.000 0.810 98 I N 2.713 123.174 120.570 -0.181 0.000 3.443 98 I HA 0.151 4.358 4.170 0.061 0.000 0.277 98 I C 0.656 176.874 176.117 0.169 0.000 1.169 98 I CA 0.403 61.707 61.300 0.007 0.000 1.419 98 I CB 0.136 38.188 38.000 0.088 0.000 1.331 98 I HN 0.265 nan 8.210 nan 0.000 0.458 99 F N -0.022 119.996 119.950 0.113 0.000 2.664 99 F HA 0.788 5.351 4.527 0.060 0.000 0.329 99 F C -1.170 174.818 175.800 0.313 0.000 1.090 99 F CA -1.494 56.613 58.000 0.179 0.000 0.978 99 F CB 1.272 40.338 39.000 0.110 0.000 1.378 99 F HN -0.296 nan 8.300 nan 0.000 0.495 100 L N 2.266 123.814 121.223 0.543 0.000 2.406 100 L HA 0.734 5.110 4.340 0.061 0.000 0.272 100 L C -1.511 175.623 176.870 0.441 0.000 0.980 100 L CA -0.651 54.451 54.840 0.436 0.000 0.831 100 L CB 1.884 44.203 42.059 0.434 0.000 1.253 100 L HN 0.626 nan 8.230 nan 0.000 0.406 101 V N 4.190 124.280 119.914 0.294 0.000 2.427 101 V HA 0.792 4.949 4.120 0.061 0.000 0.286 101 V C 0.347 176.545 176.094 0.174 0.000 1.034 101 V CA -0.319 62.120 62.300 0.233 0.000 0.893 101 V CB 1.312 33.255 31.823 0.201 0.000 0.982 101 V HN 0.910 nan 8.190 nan 0.000 0.452 102 A N 4.100 127.022 122.820 0.170 0.000 2.399 102 A HA 0.862 5.219 4.320 0.061 0.000 0.327 102 A C 0.168 177.816 177.584 0.106 0.000 1.367 102 A CA -0.121 52.009 52.037 0.156 0.000 0.842 102 A CB 0.509 19.651 19.000 0.237 0.000 1.142 102 A HN 1.163 nan 8.150 nan 0.000 0.495 103 A N 1.407 124.290 122.820 0.105 0.000 2.284 103 A HA 0.747 5.104 4.320 0.061 0.000 0.317 103 A C 1.216 178.882 177.584 0.137 0.000 1.120 103 A CA 0.278 52.373 52.037 0.096 0.000 0.900 103 A CB 0.337 19.381 19.000 0.074 0.000 1.319 103 A HN 1.263 nan 8.150 nan 0.000 0.494 104 T N -2.000 112.626 114.554 0.119 0.000 3.107 104 T HA 0.344 4.731 4.350 0.061 0.000 0.249 104 T C 0.505 175.311 174.700 0.178 0.000 1.096 104 T CA 0.690 62.880 62.100 0.149 0.000 1.012 104 T CB -0.801 68.120 68.868 0.090 0.000 0.977 104 T HN 1.487 nan 8.240 nan 0.000 0.527 105 S N -1.009 114.759 115.700 0.112 0.000 2.625 105 S HA 0.372 4.879 4.470 0.061 0.000 0.271 105 S C 0.433 174.999 174.600 -0.056 0.000 1.161 105 S CA -0.835 57.318 58.200 -0.078 0.000 0.820 105 S CB 1.256 64.417 63.200 -0.065 0.000 1.137 105 S HN 0.164 nan 8.310 nan 0.000 0.470 106 H N 1.180 120.075 119.070 -0.293 0.000 2.299 106 H HA 0.014 4.606 4.556 0.060 0.000 0.302 106 H C 1.887 177.199 175.328 -0.028 0.000 1.078 106 H CA 1.769 57.758 56.048 -0.100 0.000 1.323 106 H CB -0.068 29.621 29.762 -0.122 0.000 1.381 106 H HN 0.507 nan 8.280 nan 0.000 0.498 107 R N 0.516 121.044 120.500 0.046 0.000 2.094 107 R HA -0.131 4.245 4.340 0.061 0.000 0.239 107 R C 2.510 178.799 176.300 -0.019 0.000 1.137 107 R CA 1.179 57.290 56.100 0.018 0.000 0.943 107 R CB -1.033 29.290 30.300 0.037 0.000 0.850 107 R HN 0.409 nan 8.270 nan 0.000 0.433 108 A N 1.070 123.886 122.820 -0.006 0.000 1.917 108 A HA -0.192 4.165 4.320 0.061 0.000 0.219 108 A C 2.415 180.000 177.584 0.002 0.000 1.182 108 A CA 2.255 54.295 52.037 0.005 0.000 0.633 108 A CB -0.654 18.358 19.000 0.020 0.000 0.819 108 A HN 0.437 nan 8.150 nan 0.000 0.448 109 A N -0.558 122.251 122.820 -0.019 0.000 1.873 109 A HA -0.141 4.216 4.320 0.061 0.000 0.215 109 A C 2.231 179.787 177.584 -0.047 0.000 1.186 109 A CA 1.405 53.429 52.037 -0.021 0.000 0.616 109 A CB -0.465 18.512 19.000 -0.038 0.000 0.823 109 A HN 0.457 nan 8.150 nan 0.000 0.442 110 R N -0.307 120.119 120.500 -0.122 0.000 2.083 110 R HA -0.114 4.262 4.340 0.061 0.000 0.237 110 R C 2.048 178.336 176.300 -0.020 0.000 1.137 110 R CA 1.642 57.685 56.100 -0.094 0.000 0.951 110 R CB -0.938 29.293 30.300 -0.114 0.000 0.851 110 R HN 0.627 nan 8.270 nan 0.000 0.434 111 I N 0.737 121.304 120.570 -0.006 0.000 2.179 111 I HA -0.249 3.958 4.170 0.061 0.000 0.242 111 I C 2.544 178.684 176.117 0.039 0.000 1.088 111 I CA 1.416 62.727 61.300 0.017 0.000 1.357 111 I CB -0.391 37.618 38.000 0.016 0.000 1.051 111 I HN 0.132 nan 8.210 nan 0.000 0.409 112 A N 0.465 123.314 122.820 0.048 0.000 2.015 112 A HA -0.071 4.285 4.320 0.061 0.000 0.219 112 A C 2.485 180.165 177.584 0.159 0.000 1.163 112 A CA 1.461 53.545 52.037 0.078 0.000 0.646 112 A CB -0.673 18.370 19.000 0.071 0.000 0.806 112 A HN 0.432 nan 8.150 nan 0.000 0.448 113 A N -0.050 122.869 122.820 0.165 0.000 2.019 113 A HA -0.146 4.211 4.320 0.061 0.000 0.219 113 A C 2.147 179.881 177.584 0.251 0.000 1.164 113 A CA 1.437 53.616 52.037 0.237 0.000 0.644 113 A CB -0.368 18.655 19.000 0.038 0.000 0.805 113 A HN 0.546 nan 8.150 nan 0.000 0.449 114 R N -0.773 119.810 120.500 0.138 0.000 2.297 114 R HA 0.092 4.469 4.340 0.061 0.000 0.197 114 R C 1.019 177.380 176.300 0.103 0.000 0.943 114 R CA 0.592 56.754 56.100 0.104 0.000 1.038 114 R CB 0.029 30.360 30.300 0.052 0.000 0.957 114 R HN 0.395 nan 8.270 nan 0.000 0.484 115 K N 0.499 120.961 120.400 0.104 0.000 2.387 115 K HA 0.208 4.565 4.320 0.061 0.000 0.198 115 K C 0.203 176.811 176.600 0.013 0.000 1.022 115 K CA -0.250 56.065 56.287 0.047 0.000 1.128 115 K CB 0.952 33.467 32.500 0.024 0.000 0.853 115 K HN 0.051 nan 8.250 nan 0.000 0.523 116 A N 1.722 124.568 122.820 0.043 0.000 2.386 116 A HA 0.215 4.571 4.320 0.061 0.000 0.248 116 A C -0.229 177.343 177.584 -0.021 0.000 1.082 116 A CA -0.126 51.872 52.037 -0.064 0.000 0.789 116 A CB 0.305 19.256 19.000 -0.081 0.000 1.025 116 A HN 0.245 nan 8.150 nan 0.000 0.490 117 R N 1.320 121.778 120.500 -0.069 0.000 2.275 117 R HA 0.494 4.871 4.340 0.061 0.000 0.326 117 R C -1.307 174.947 176.300 -0.077 0.000 0.973 117 R CA -0.033 56.039 56.100 -0.046 0.000 0.854 117 R CB 0.925 31.196 30.300 -0.049 0.000 1.156 117 R HN 0.666 nan 8.270 nan 0.000 0.487 118 I N 1.977 122.507 120.570 -0.066 0.000 2.474 118 I HA 0.325 4.532 4.170 0.061 0.000 0.294 118 I C 0.313 176.288 176.117 -0.236 0.000 1.005 118 I CA -0.867 60.313 61.300 -0.200 0.000 1.113 118 I CB 2.365 40.199 38.000 -0.276 0.000 1.289 118 I HN 0.490 nan 8.210 nan 0.000 0.436 119 T N 1.600 115.969 114.554 -0.307 0.000 2.829 119 T HA 0.663 5.050 4.350 0.061 0.000 0.280 119 T C -0.853 173.660 174.700 -0.312 0.000 0.999 119 T CA -0.645 61.343 62.100 -0.188 0.000 0.983 119 T CB 1.170 69.990 68.868 -0.081 0.000 0.968 119 T HN 0.297 nan 8.240 nan 0.000 0.446 120 Y N 0.587 120.874 120.300 -0.023 0.000 2.621 120 Y HA 0.672 5.258 4.550 0.061 0.000 0.334 120 Y C 0.407 176.290 175.900 -0.028 0.000 1.074 120 Y CA -1.533 56.549 58.100 -0.031 0.000 1.149 120 Y CB 1.864 40.299 38.460 -0.041 0.000 1.302 120 Y HN 0.927 nan 8.280 nan 0.000 0.501 121 A N 2.356 125.262 122.820 0.144 0.000 2.923 121 A HA 0.535 4.892 4.320 0.061 0.000 0.343 121 A C -2.838 174.778 177.584 0.053 0.000 1.199 121 A CA -1.744 50.335 52.037 0.070 0.000 0.878 121 A CB -0.633 18.387 19.000 0.034 0.000 1.104 121 A HN 0.402 nan 8.150 nan 0.000 0.483 122 P HA 0.075 nan 4.420 nan 0.000 0.261 122 P C -0.068 177.225 177.300 -0.013 0.000 1.173 122 P CA 0.679 63.776 63.100 -0.005 0.000 0.760 122 P CB 0.413 32.101 31.700 -0.019 0.000 0.783 123 R N 4.120 124.602 120.500 -0.029 0.000 2.828 123 R HA 0.544 4.920 4.340 0.061 0.000 0.264 123 R C -2.379 173.904 176.300 -0.029 0.000 1.022 123 R CA -2.123 53.961 56.100 -0.026 0.000 1.021 123 R CB 0.172 30.453 30.300 -0.032 0.000 1.163 123 R HN 0.268 nan 8.270 nan 0.000 0.494 124 P HA 0.123 nan 4.420 nan 0.000 0.276 124 P C -1.010 176.276 177.300 -0.022 0.000 1.264 124 P CA -0.084 63.005 63.100 -0.018 0.000 0.769 124 P CB 0.910 32.602 31.700 -0.012 0.000 0.840 125 A N 4.211 127.014 122.820 -0.027 0.000 2.371 125 A HA 0.406 4.762 4.320 0.061 0.000 0.257 125 A C 0.078 177.645 177.584 -0.028 0.000 1.089 125 A CA -0.397 51.622 52.037 -0.030 0.000 0.794 125 A CB -0.138 18.838 19.000 -0.040 0.000 1.029 125 A HN 0.537 nan 8.150 nan 0.000 0.488 126 I N 2.883 123.435 120.570 -0.030 0.000 2.347 126 I HA 0.184 4.391 4.170 0.061 0.000 0.283 126 I C 0.359 176.437 176.117 -0.066 0.000 1.058 126 I CA 0.150 61.425 61.300 -0.041 0.000 1.202 126 I CB 0.670 38.647 38.000 -0.039 0.000 1.386 126 I HN 0.645 nan 8.210 nan 0.000 0.475 127 L N 3.270 124.447 121.223 -0.078 0.000 2.388 127 L HA 0.153 4.530 4.340 0.061 0.000 0.209 127 L C 1.336 178.119 176.870 -0.147 0.000 1.061 127 L CA 0.351 55.111 54.840 -0.134 0.000 0.834 127 L CB -0.166 41.825 42.059 -0.113 0.000 1.029 127 L HN 0.612 nan 8.230 nan 0.000 0.473 128 T N -2.942 111.561 114.554 -0.084 0.000 2.912 128 T HA 0.328 4.714 4.350 0.061 0.000 0.280 128 T C 0.920 175.580 174.700 -0.067 0.000 0.989 128 T CA -0.607 61.454 62.100 -0.066 0.000 0.995 128 T CB 1.786 70.640 68.868 -0.024 0.000 1.077 128 T HN -0.165 nan 8.240 nan 0.000 0.531 129 L N 0.762 121.951 121.223 -0.056 0.000 2.093 129 L HA 0.061 4.438 4.340 0.061 0.000 0.208 129 L C 2.187 179.022 176.870 -0.059 0.000 1.085 129 L CA 1.791 56.594 54.840 -0.061 0.000 0.755 129 L CB -0.927 41.100 42.059 -0.053 0.000 0.904 129 L HN 0.762 nan 8.230 nan 0.000 0.435 130 D N -1.562 118.812 120.400 -0.043 0.000 2.144 130 D HA -0.185 4.491 4.640 0.061 0.000 0.200 130 D C 2.170 178.445 176.300 -0.042 0.000 0.978 130 D CA 0.828 54.803 54.000 -0.041 0.000 0.833 130 D CB -0.098 40.687 40.800 -0.024 0.000 0.961 130 D HN 0.365 nan 8.370 nan 0.000 0.470 131 Q N 0.345 120.122 119.800 -0.039 0.000 2.020 131 Q HA -0.125 4.252 4.340 0.061 0.000 0.202 131 Q C 2.331 178.302 176.000 -0.047 0.000 0.982 131 Q CA 1.459 57.239 55.803 -0.038 0.000 0.838 131 Q CB -0.222 28.494 28.738 -0.036 0.000 0.899 131 Q HN 0.318 nan 8.270 nan 0.000 0.423 132 A N 0.529 123.315 122.820 -0.058 0.000 1.933 132 A HA -0.173 4.184 4.320 0.061 0.000 0.218 132 A C 1.998 179.542 177.584 -0.066 0.000 1.175 132 A CA 1.048 53.045 52.037 -0.067 0.000 0.628 132 A CB -0.500 18.455 19.000 -0.075 0.000 0.814 132 A HN 0.293 nan 8.150 nan 0.000 0.444 133 L N -0.414 120.766 121.223 -0.072 0.000 2.027 133 L HA -0.017 4.360 4.340 0.061 0.000 0.206 133 L C 2.819 179.652 176.870 -0.063 0.000 1.074 133 L CA 2.001 56.789 54.840 -0.086 0.000 0.745 133 L CB -0.966 41.022 42.059 -0.117 0.000 0.898 133 L HN 0.360 nan 8.230 nan 0.000 0.433 134 A N -0.700 122.089 122.820 -0.051 0.000 1.877 134 A HA -0.134 4.222 4.320 0.061 0.000 0.216 134 A C 2.323 179.889 177.584 -0.032 0.000 1.186 134 A CA 1.826 53.841 52.037 -0.037 0.000 0.620 134 A CB -1.133 17.849 19.000 -0.030 0.000 0.822 134 A HN 0.480 nan 8.150 nan 0.000 0.443 135 A N -1.490 121.309 122.820 -0.035 0.000 2.168 135 A HA 0.165 4.521 4.320 0.061 0.000 0.215 135 A C 0.914 178.477 177.584 -0.034 0.000 1.152 135 A CA 1.384 53.402 52.037 -0.032 0.000 0.716 135 A CB -0.570 18.409 19.000 -0.035 0.000 0.794 135 A HN 0.686 nan 8.150 nan 0.000 0.465 136 D N -1.233 119.145 120.400 -0.037 0.000 2.772 136 D HA -0.150 4.527 4.640 0.061 0.000 0.233 136 D C -0.054 176.212 176.300 -0.056 0.000 1.143 136 D CA 0.982 54.961 54.000 -0.034 0.000 0.700 136 D CB -1.445 39.343 40.800 -0.019 0.000 1.076 136 D HN 0.279 nan 8.370 nan 0.000 0.430 137 S N 0.311 115.965 115.700 -0.076 0.000 2.416 137 S HA 0.502 5.008 4.470 0.061 0.000 0.287 137 S C 0.014 174.509 174.600 -0.176 0.000 1.139 137 S CA -0.287 57.839 58.200 -0.123 0.000 1.058 137 S CB 0.236 63.372 63.200 -0.108 0.000 0.967 137 S HN 0.455 nan 8.310 nan 0.000 0.495 138 R N 2.910 123.258 120.500 -0.253 0.000 2.747 138 R HA 0.505 4.882 4.340 0.061 0.000 0.272 138 R C -1.644 174.400 176.300 -0.428 0.000 1.032 138 R CA -0.840 55.103 56.100 -0.262 0.000 0.896 138 R CB 0.498 30.756 30.300 -0.070 0.000 1.253 138 R HN 0.424 nan 8.270 nan 0.000 0.461 139 F N 0.346 120.290 119.950 -0.010 0.000 2.509 139 F HA 0.363 4.927 4.527 0.062 0.000 0.334 139 F C 0.815 176.605 175.800 -0.016 0.000 1.060 139 F CA -0.248 57.741 58.000 -0.019 0.000 0.997 139 F CB 1.479 40.459 39.000 -0.032 0.000 1.271 139 F HN 0.880 nan 8.300 nan 0.000 0.488 140 E N -0.240 120.087 120.200 0.212 0.000 3.870 140 E HA -0.224 4.163 4.350 0.061 0.000 0.329 140 E C 0.508 177.144 176.600 0.061 0.000 0.702 140 E CA 0.789 57.251 56.400 0.103 0.000 1.174 140 E CB -1.486 28.259 29.700 0.075 0.000 1.619 140 E HN 1.136 nan 8.360 nan 0.000 0.441 141 G N 0.221 109.051 108.800 0.050 0.000 2.883 141 G HA2 0.238 4.235 3.960 0.061 0.000 0.219 141 G HA3 0.238 4.235 3.960 0.061 0.000 0.219 141 G C 0.441 175.354 174.900 0.021 0.000 0.908 141 G CA 0.624 45.739 45.100 0.026 0.000 0.978 141 G HN 1.245 nan 8.290 nan 0.000 0.365 142 G N 2.758 111.570 108.800 0.020 0.000 2.758 142 G HA2 0.266 4.262 3.960 0.061 0.000 0.686 142 G HA3 0.266 4.262 3.960 0.061 0.000 0.686 142 G C -1.251 173.640 174.900 -0.015 0.000 1.389 142 G CA 0.071 45.181 45.100 0.017 0.000 0.845 142 G HN 1.328 nan 8.290 nan 0.000 0.572 143 P HA 0.519 nan 4.420 nan 0.000 0.275 143 P C -0.284 176.911 177.300 -0.175 0.000 1.266 143 P CA -0.395 62.557 63.100 -0.248 0.000 0.793 143 P CB 0.985 32.339 31.700 -0.576 0.000 1.074 144 V N 1.494 121.272 119.914 -0.227 0.000 2.448 144 V HA 0.372 4.529 4.120 0.061 0.000 0.295 144 V C 0.284 176.227 176.094 -0.252 0.000 1.025 144 V CA -0.440 61.746 62.300 -0.190 0.000 0.859 144 V CB 1.016 32.709 31.823 -0.217 0.000 0.988 144 V HN 0.307 nan 8.190 nan 0.000 0.431 145 I N 4.215 124.718 120.570 -0.112 0.000 2.436 145 I HA 0.511 4.717 4.170 0.061 0.000 0.289 145 I C -1.069 175.172 176.117 0.206 0.000 1.010 145 I CA -0.382 60.897 61.300 -0.035 0.000 1.098 145 I CB 1.842 39.853 38.000 0.019 0.000 1.266 145 I HN 0.451 nan 8.210 nan 0.000 0.434 146 W N 4.508 125.853 121.300 0.076 0.000 2.689 146 W HA 0.823 5.519 4.660 0.060 0.000 0.340 146 W C -0.310 176.275 176.519 0.111 0.000 1.060 146 W CA -1.531 55.884 57.345 0.117 0.000 1.218 146 W CB 1.917 31.492 29.460 0.191 0.000 1.410 146 W HN 0.468 nan 8.180 nan 0.000 0.528 147 A N 2.995 126.014 122.820 0.332 0.000 2.455 147 A HA 0.770 5.127 4.320 0.061 0.000 0.300 147 A C -1.216 176.476 177.584 0.179 0.000 1.040 147 A CA -0.943 51.223 52.037 0.215 0.000 0.697 147 A CB 1.940 21.027 19.000 0.146 0.000 1.265 147 A HN 0.604 nan 8.150 nan 0.000 0.407 148 R N 2.169 122.764 120.500 0.158 0.000 2.388 148 R HA 0.539 4.916 4.340 0.061 0.000 0.314 148 R C 0.614 176.960 176.300 0.077 0.000 0.959 148 R CA 0.794 56.967 56.100 0.121 0.000 0.851 148 R CB 0.980 31.368 30.300 0.146 0.000 1.168 148 R HN 2.299 nan 8.270 nan 0.000 0.472 149 G N 3.088 111.925 108.800 0.063 0.000 2.562 149 G HA2 -0.296 3.701 3.960 0.061 0.000 0.250 149 G HA3 -0.296 3.701 3.960 0.061 0.000 0.250 149 G C -0.990 173.934 174.900 0.039 0.000 1.269 149 G CA 0.203 45.330 45.100 0.044 0.000 0.919 149 G HN 0.623 nan 8.290 nan 0.000 0.574 150 D N 0.362 120.777 120.400 0.025 0.000 2.454 150 D HA 0.500 5.177 4.640 0.061 0.000 0.247 150 D C 1.739 178.043 176.300 0.007 0.000 1.129 150 D CA 0.228 54.240 54.000 0.020 0.000 0.877 150 D CB 1.065 41.875 40.800 0.016 0.000 1.082 150 D HN 0.831 nan 8.370 nan 0.000 0.537 151 V N 2.252 122.170 119.914 0.007 0.000 2.295 151 V HA -0.139 4.018 4.120 0.061 0.000 0.246 151 V C 2.103 178.186 176.094 -0.019 0.000 1.049 151 V CA 1.209 63.502 62.300 -0.012 0.000 1.024 151 V CB -0.675 31.138 31.823 -0.015 0.000 0.648 151 V HN 0.340 nan 8.190 nan 0.000 0.447 152 E N 1.258 121.451 120.200 -0.011 0.000 2.049 152 E HA -0.185 4.202 4.350 0.061 0.000 0.198 152 E C 2.287 178.878 176.600 -0.016 0.000 1.007 152 E CA 2.486 58.877 56.400 -0.014 0.000 0.809 152 E CB -0.949 28.748 29.700 -0.006 0.000 0.749 152 E HN 0.714 nan 8.360 nan 0.000 0.450 153 T N 0.142 114.691 114.554 -0.009 0.000 2.652 153 T HA -0.216 4.171 4.350 0.061 0.000 0.267 153 T C 1.827 176.518 174.700 -0.015 0.000 1.039 153 T CA 1.859 63.954 62.100 -0.009 0.000 1.153 153 T CB -0.621 68.246 68.868 -0.002 0.000 0.863 153 T HN 0.348 nan 8.240 nan 0.000 0.428 154 A N 1.045 123.856 122.820 -0.016 0.000 1.902 154 A HA 0.005 4.362 4.320 0.061 0.000 0.217 154 A C 2.326 179.891 177.584 -0.030 0.000 1.181 154 A CA 1.286 53.310 52.037 -0.022 0.000 0.623 154 A CB -0.883 18.102 19.000 -0.025 0.000 0.818 154 A HN 0.489 nan 8.150 nan 0.000 0.443 155 L N -0.893 120.308 121.223 -0.037 0.000 2.141 155 L HA -0.153 4.223 4.340 0.061 0.000 0.209 155 L C 3.033 179.877 176.870 -0.043 0.000 1.094 155 L CA 0.799 55.611 54.840 -0.046 0.000 0.763 155 L CB -0.480 41.545 42.059 -0.056 0.000 0.908 155 L HN 0.446 nan 8.230 nan 0.000 0.437 156 A N 0.175 122.974 122.820 -0.035 0.000 1.902 156 A HA -0.101 4.256 4.320 0.061 0.000 0.217 156 A C 2.194 179.757 177.584 -0.034 0.000 1.181 156 A CA 1.738 53.755 52.037 -0.033 0.000 0.623 156 A CB -0.926 18.059 19.000 -0.025 0.000 0.818 156 A HN 0.425 nan 8.150 nan 0.000 0.443 157 G N -1.117 107.665 108.800 -0.030 0.000 3.189 157 G HA2 0.428 4.424 3.960 0.061 0.000 0.225 157 G HA3 0.428 4.424 3.960 0.061 0.000 0.225 157 G C 0.527 175.406 174.900 -0.036 0.000 1.159 157 G CA 0.513 45.595 45.100 -0.030 0.000 0.763 157 G HN 0.744 nan 8.290 nan 0.000 0.549 158 A N 0.424 123.219 122.820 -0.040 0.000 2.492 158 A HA 0.588 4.945 4.320 0.061 0.000 0.254 158 A C 1.712 179.257 177.584 -0.065 0.000 1.091 158 A CA 0.502 52.515 52.037 -0.040 0.000 0.768 158 A CB 0.626 19.603 19.000 -0.038 0.000 1.028 158 A HN 0.665 nan 8.150 nan 0.000 0.498 159 A N 2.513 125.293 122.820 -0.067 0.000 1.969 159 A HA 0.058 4.414 4.320 0.061 0.000 0.218 159 A C 0.997 178.364 177.584 -0.362 0.000 1.169 159 A CA 1.079 53.014 52.037 -0.169 0.000 0.635 159 A CB -0.260 18.678 19.000 -0.103 0.000 0.810 159 A HN 0.858 nan 8.150 nan 0.000 0.445 160 H N -2.121 116.922 119.070 -0.045 0.000 2.717 160 H HA 0.683 5.276 4.556 0.061 0.000 0.366 160 H C -1.593 173.692 175.328 -0.072 0.000 1.132 160 H CA -0.592 55.423 56.048 -0.054 0.000 1.180 160 H CB 1.674 31.407 29.762 -0.049 0.000 1.678 160 H HN 0.236 nan 8.280 nan 0.000 0.537 161 L N 1.333 122.574 121.223 0.029 0.000 2.466 161 L HA 0.692 5.069 4.340 0.061 0.000 0.258 161 L C -1.344 175.456 176.870 -0.118 0.000 0.973 161 L CA -0.579 54.230 54.840 -0.053 0.000 0.826 161 L CB 1.942 43.956 42.059 -0.075 0.000 1.372 161 L HN 0.765 nan 8.230 nan 0.000 0.409 162 A N 3.366 126.080 122.820 -0.176 0.000 2.402 162 A HA 0.692 5.048 4.320 0.061 0.000 0.291 162 A C -1.331 176.053 177.584 -0.334 0.000 1.051 162 A CA -0.495 51.331 52.037 -0.352 0.000 0.716 162 A CB 1.222 19.996 19.000 -0.377 0.000 1.223 162 A HN 0.675 nan 8.150 nan 0.000 0.425 163 E N 1.040 120.964 120.200 -0.461 0.000 2.183 163 E HA 0.672 5.059 4.350 0.061 0.000 0.271 163 E C 0.110 176.326 176.600 -0.641 0.000 0.919 163 E CA -0.628 55.495 56.400 -0.461 0.000 0.781 163 E CB 2.410 31.933 29.700 -0.295 0.000 1.140 163 E HN 0.904 nan 8.360 nan 0.000 0.402 164 G N 0.377 108.566 108.800 -1.018 0.000 2.600 164 G HA2 0.513 4.510 3.960 0.061 0.000 0.293 164 G HA3 0.513 4.510 3.960 0.061 0.000 0.293 164 G C -1.745 172.740 174.900 -0.692 0.000 1.408 164 G CA -0.467 44.140 45.100 -0.821 0.000 0.782 164 G HN 0.628 nan 8.290 nan 0.000 0.482 165 C N 0.227 119.514 119.300 -0.022 0.000 2.989 165 C HA 0.821 5.317 4.460 0.061 0.000 0.397 165 C C -1.534 173.755 174.990 0.498 0.000 1.022 165 C CA -1.186 57.981 59.018 0.248 0.000 1.232 165 C CB -0.397 27.410 27.740 0.113 0.000 1.638 165 C HN 1.405 nan 8.230 nan 0.000 0.534 166 F N 3.407 123.529 119.950 0.287 0.000 2.626 166 F HA 0.792 5.356 4.527 0.061 0.000 0.311 166 F C -0.567 175.348 175.800 0.191 0.000 1.088 166 F CA -0.691 57.457 58.000 0.247 0.000 0.949 166 F CB 1.163 40.344 39.000 0.302 0.000 1.322 166 F HN 0.438 nan 8.300 nan 0.000 0.461 167 E N 3.104 123.304 120.200 0.001 0.000 2.283 167 E HA 0.423 4.809 4.350 0.061 0.000 0.278 167 E C -0.763 175.672 176.600 -0.274 0.000 1.027 167 E CA -0.331 55.999 56.400 -0.117 0.000 0.843 167 E CB 2.367 32.080 29.700 0.022 0.000 1.062 167 E HN 0.609 nan 8.360 nan 0.000 0.401 168 I N 1.645 122.052 120.570 -0.272 0.000 2.382 168 I HA 0.275 4.481 4.170 0.061 0.000 0.286 168 I C 0.756 176.868 176.117 -0.009 0.000 1.002 168 I CA -0.783 60.378 61.300 -0.231 0.000 1.135 168 I CB 1.858 39.713 38.000 -0.242 0.000 1.288 168 I HN 0.379 nan 8.210 nan 0.000 0.448 169 G N 3.786 112.570 108.800 -0.027 0.000 2.539 169 G HA2 0.492 4.488 3.960 0.061 0.000 0.258 169 G HA3 0.492 4.488 3.960 0.061 0.000 0.258 169 G C 0.431 175.507 174.900 0.294 0.000 1.202 169 G CA -0.237 44.930 45.100 0.112 0.000 0.851 169 G HN 0.723 nan 8.290 nan 0.000 0.556 170 G N -1.141 107.840 108.800 0.303 0.000 2.486 170 G HA2 0.474 4.471 3.960 0.061 0.000 0.272 170 G HA3 0.474 4.471 3.960 0.061 0.000 0.272 170 G C -0.207 174.887 174.900 0.323 0.000 1.426 170 G CA -0.199 45.087 45.100 0.311 0.000 1.058 170 G HN 0.719 nan 8.290 nan 0.000 0.531 171 Q N -1.371 118.538 119.800 0.181 0.000 2.352 171 Q HA 0.306 4.682 4.340 0.061 0.000 0.270 171 Q C -1.718 174.376 176.000 0.157 0.000 1.006 171 Q CA -0.694 55.225 55.803 0.193 0.000 0.880 171 Q CB 2.200 30.863 28.738 -0.126 0.000 1.392 171 Q HN 0.505 nan 8.270 nan 0.000 0.401 172 E N 1.321 121.557 120.200 0.060 0.000 2.259 172 E HA 0.156 4.542 4.350 0.061 0.000 0.281 172 E C -0.154 176.483 176.600 0.063 0.000 1.027 172 E CA 0.447 56.744 56.400 -0.172 0.000 0.838 172 E CB 0.694 29.922 29.700 -0.787 0.000 1.066 172 E HN 0.664 nan 8.360 nan 0.000 0.401 173 H N 4.227 123.243 119.070 -0.089 0.000 2.267 173 H HA -0.040 4.554 4.556 0.063 0.000 0.297 173 H C 0.116 175.312 175.328 -0.220 0.000 1.080 173 H CA 1.842 57.660 56.048 -0.383 0.000 1.278 173 H CB -0.281 29.153 29.762 -0.547 0.000 1.365 173 H HN 0.698 nan 8.280 nan 0.000 0.489 174 F N 0.233 119.920 119.950 -0.438 0.000 2.905 174 F HA -0.253 4.311 4.527 0.062 0.000 0.291 174 F C -0.872 174.781 175.800 -0.244 0.000 1.002 174 F CA -0.663 57.122 58.000 -0.357 0.000 0.978 174 F CB -1.480 37.464 39.000 -0.093 0.000 1.036 174 F HN 0.154 nan 8.300 nan 0.000 0.820 175 Y N 0.536 120.955 120.300 0.199 0.000 2.425 175 Y HA 0.283 4.872 4.550 0.064 0.000 0.331 175 Y C 0.903 176.885 175.900 0.137 0.000 1.157 175 Y CA -1.406 56.849 58.100 0.258 0.000 1.372 175 Y CB 0.171 38.749 38.460 0.197 0.000 1.253 175 Y HN 0.142 nan 8.280 nan 0.000 0.536 176 L N 1.238 122.654 121.223 0.322 0.000 2.141 176 L HA -0.049 4.327 4.340 0.061 0.000 0.209 176 L C 1.068 177.992 176.870 0.090 0.000 1.094 176 L CA 1.317 56.272 54.840 0.191 0.000 0.763 176 L CB -0.584 41.557 42.059 0.136 0.000 0.908 176 L HN 0.847 nan 8.230 nan 0.000 0.437 177 E N 0.230 120.465 120.200 0.059 0.000 2.167 177 E HA 0.307 4.694 4.350 0.061 0.000 0.284 177 E C 0.177 176.834 176.600 0.096 0.000 1.016 177 E CA -0.250 56.143 56.400 -0.011 0.000 0.817 177 E CB 1.206 30.823 29.700 -0.138 0.000 1.080 177 E HN 0.202 nan 8.360 nan 0.000 0.397 178 G N 3.120 111.982 108.800 0.102 0.000 2.553 178 G HA2 0.011 4.008 3.960 0.061 0.000 0.278 178 G HA3 0.011 4.008 3.960 0.061 0.000 0.278 178 G C -0.117 174.735 174.900 -0.080 0.000 1.349 178 G CA -0.501 44.698 45.100 0.166 0.000 1.037 178 G HN 0.550 nan 8.290 nan 0.000 0.508 179 Q N -0.536 119.202 119.800 -0.103 0.000 2.330 179 Q HA 0.434 4.811 4.340 0.061 0.000 0.279 179 Q C -0.002 175.835 176.000 -0.272 0.000 1.024 179 Q CA 0.442 56.069 55.803 -0.295 0.000 0.900 179 Q CB 1.153 29.606 28.738 -0.475 0.000 1.221 179 Q HN 0.672 nan 8.270 nan 0.000 0.396 180 A N 0.994 123.685 122.820 -0.215 0.000 2.566 180 A HA 0.803 5.159 4.320 0.061 0.000 0.297 180 A C -1.539 175.987 177.584 -0.097 0.000 1.059 180 A CA -0.093 51.863 52.037 -0.135 0.000 0.691 180 A CB 1.780 20.743 19.000 -0.062 0.000 1.282 180 A HN 0.711 nan 8.150 nan 0.000 0.401 181 A N 0.644 123.420 122.820 -0.073 0.000 2.556 181 A HA 0.873 5.230 4.320 0.061 0.000 0.294 181 A C -1.783 175.793 177.584 -0.013 0.000 1.091 181 A CA -0.474 51.540 52.037 -0.038 0.000 0.704 181 A CB 1.650 20.617 19.000 -0.054 0.000 1.300 181 A HN 2.152 nan 8.150 nan 0.000 0.406 182 L N 1.058 122.291 121.223 0.017 0.000 2.482 182 L HA 0.798 5.175 4.340 0.061 0.000 0.269 182 L C -0.373 176.519 176.870 0.036 0.000 0.967 182 L CA -0.079 54.778 54.840 0.029 0.000 0.851 182 L CB 1.520 43.615 42.059 0.060 0.000 1.242 182 L HN 1.226 nan 8.230 nan 0.000 0.404 183 A N 6.135 128.955 122.820 0.000 0.000 2.276 183 A HA 0.780 5.137 4.320 0.061 0.000 0.316 183 A C -1.080 176.505 177.584 0.001 0.000 1.229 183 A CA -0.403 51.627 52.037 -0.012 0.000 0.851 183 A CB 0.490 19.471 19.000 -0.032 0.000 1.165 183 A HN 0.716 nan 8.150 nan 0.000 0.513 184 L N 4.988 126.215 121.223 0.006 0.000 2.324 184 L HA 0.347 4.724 4.340 0.061 0.000 0.274 184 L C -2.217 174.652 176.870 -0.002 0.000 1.012 184 L CA -2.014 52.836 54.840 0.016 0.000 0.859 184 L CB 1.842 43.934 42.059 0.055 0.000 1.224 184 L HN 0.494 nan 8.230 nan 0.000 0.429 185 P HA 0.033 nan 4.420 nan 0.000 0.261 185 P C -0.618 176.681 177.300 -0.001 0.000 1.203 185 P CA 0.090 63.189 63.100 -0.003 0.000 0.767 185 P CB 0.949 32.651 31.700 0.003 0.000 0.785 186 A N 4.149 126.965 122.820 -0.007 0.000 2.431 186 A HA 0.328 4.684 4.320 0.061 0.000 0.318 186 A C 0.335 177.914 177.584 -0.008 0.000 1.330 186 A CA -0.756 51.277 52.037 -0.006 0.000 0.804 186 A CB -0.052 18.942 19.000 -0.011 0.000 1.135 186 A HN 0.641 nan 8.150 nan 0.000 0.483 187 E N 1.805 122.002 120.200 -0.005 0.000 0.724 187 E HA -0.126 4.260 4.350 0.061 0.000 0.339 187 E C 0.985 177.580 176.600 -0.009 0.000 0.770 187 E CA 0.749 57.146 56.400 -0.005 0.000 1.262 187 E CB -1.272 28.424 29.700 -0.006 0.000 0.520 187 E HN 2.081 nan 8.360 nan 0.000 0.346 188 G N 1.857 110.655 108.800 -0.004 0.000 2.527 188 G HA2 -0.234 3.762 3.960 0.061 0.000 0.218 188 G HA3 -0.234 3.762 3.960 0.061 0.000 0.218 188 G C 0.515 175.414 174.900 -0.002 0.000 1.177 188 G CA 0.025 45.123 45.100 -0.003 0.000 0.695 188 G HN 1.272 nan 8.290 nan 0.000 0.517 189 G N -1.067 107.728 108.800 -0.008 0.000 3.251 189 G HA2 0.880 4.876 3.960 0.061 0.000 0.248 189 G HA3 0.880 4.876 3.960 0.061 0.000 0.248 189 G C -0.544 174.346 174.900 -0.017 0.000 1.320 189 G CA 0.590 45.684 45.100 -0.009 0.000 0.982 189 G HN 1.657 nan 8.290 nan 0.000 0.575 190 V N -2.821 117.077 119.914 -0.028 0.000 2.962 190 V HA 0.825 4.981 4.120 0.061 0.000 0.313 190 V C -0.767 175.291 176.094 -0.060 0.000 1.099 190 V CA -1.045 61.232 62.300 -0.038 0.000 0.971 190 V CB 1.561 33.360 31.823 -0.041 0.000 1.028 190 V HN 0.576 nan 8.190 nan 0.000 0.430 191 V N 4.447 124.317 119.914 -0.073 0.000 2.384 191 V HA 0.511 4.668 4.120 0.061 0.000 0.287 191 V C -0.323 175.661 176.094 -0.184 0.000 1.020 191 V CA -0.410 61.807 62.300 -0.139 0.000 0.850 191 V CB 1.408 33.148 31.823 -0.139 0.000 0.987 191 V HN 0.717 nan 8.190 nan 0.000 0.436 192 I N 4.878 125.313 120.570 -0.226 0.000 2.330 192 I HA 0.416 4.623 4.170 0.061 0.000 0.289 192 I C 0.019 175.959 176.117 -0.296 0.000 1.001 192 I CA -0.314 60.875 61.300 -0.186 0.000 1.193 192 I CB 0.990 38.922 38.000 -0.114 0.000 1.345 192 I HN 0.573 nan 8.210 nan 0.000 0.461 193 H N 5.484 124.537 119.070 -0.028 0.000 2.458 193 H HA 0.562 5.110 4.556 -0.013 0.000 0.330 193 H C -0.087 175.223 175.328 -0.030 0.000 1.111 193 H CA -0.314 55.719 56.048 -0.025 0.000 1.245 193 H CB 2.351 32.100 29.762 -0.021 0.000 1.456 193 H HN 0.803 nan 8.280 nan 0.000 0.488 194 C N 0.648 119.993 119.300 0.075 0.000 3.311 194 C HA 0.436 4.933 4.460 0.061 0.000 0.325 194 C C 0.238 175.229 174.990 0.002 0.000 1.352 194 C CA -1.054 57.974 59.018 0.016 0.000 1.308 194 C CB 1.370 29.099 27.740 -0.018 0.000 1.619 194 C HN 0.713 nan 8.230 nan 0.000 0.469 195 S N 1.817 117.496 115.700 -0.036 0.000 3.170 195 S HA 0.640 5.147 4.470 0.061 0.000 0.257 195 S C -0.153 174.387 174.600 -0.101 0.000 1.284 195 S CA 0.309 58.474 58.200 -0.058 0.000 0.973 195 S CB -0.751 62.401 63.200 -0.080 0.000 1.330 195 S HN 1.544 nan 8.310 nan 0.000 0.493 196 S N 3.311 118.972 115.700 -0.065 0.000 2.564 196 S HA 0.422 4.929 4.470 0.061 0.000 0.274 196 S C 0.247 174.827 174.600 -0.034 0.000 1.124 196 S CA -0.630 57.536 58.200 -0.057 0.000 0.869 196 S CB 1.630 64.816 63.200 -0.025 0.000 1.105 196 S HN 0.636 nan 8.310 nan 0.000 0.472 197 Q N 1.024 120.809 119.800 -0.025 0.000 2.392 197 Q HA 0.179 4.555 4.340 0.061 0.000 0.203 197 Q C -0.184 175.835 176.000 0.033 0.000 0.917 197 Q CA 0.384 56.176 55.803 -0.018 0.000 0.939 197 Q CB 0.221 28.936 28.738 -0.038 0.000 1.063 197 Q HN 0.776 nan 8.270 nan 0.000 0.516 198 H N 0.076 119.129 119.070 -0.028 0.000 2.607 198 H HA 0.155 4.746 4.556 0.059 0.000 0.248 198 H C -2.174 173.136 175.328 -0.030 0.000 1.355 198 H CA -2.200 53.835 56.048 -0.021 0.000 1.524 198 H CB 1.316 31.065 29.762 -0.020 0.000 1.563 198 H HN -0.034 nan 8.280 nan 0.000 0.509 199 P HA -0.058 nan 4.420 nan 0.000 0.220 199 P C 1.367 178.697 177.300 0.051 0.000 1.152 199 P CA 0.722 63.863 63.100 0.068 0.000 0.812 199 P CB 0.501 32.225 31.700 0.039 0.000 0.792 200 S N -0.136 115.656 115.700 0.153 0.000 2.368 200 S HA -0.190 4.316 4.470 0.061 0.000 0.225 200 S C 1.975 176.521 174.600 -0.090 0.000 1.030 200 S CA 1.303 59.548 58.200 0.075 0.000 0.999 200 S CB -0.698 62.611 63.200 0.182 0.000 0.844 200 S HN 0.317 nan 8.310 nan 0.000 0.459 201 E N 0.777 120.791 120.200 -0.310 0.000 2.072 201 E HA -0.094 4.292 4.350 0.061 0.000 0.191 201 E C 1.884 178.351 176.600 -0.221 0.000 0.985 201 E CA 0.799 56.915 56.400 -0.473 0.000 0.801 201 E CB -0.056 29.055 29.700 -0.981 0.000 0.750 201 E HN 0.271 nan 8.360 nan 0.000 0.452 202 I N 1.651 122.130 120.570 -0.152 0.000 2.194 202 I HA -0.330 3.876 4.170 0.061 0.000 0.246 202 I C 2.599 178.646 176.117 -0.117 0.000 1.093 202 I CA 1.622 62.866 61.300 -0.092 0.000 1.355 202 I CB -1.299 36.667 38.000 -0.056 0.000 1.046 202 I HN 0.420 nan 8.210 nan 0.000 0.413 203 Q N 0.321 120.031 119.800 -0.150 0.000 1.993 203 Q HA -0.296 4.080 4.340 0.061 0.000 0.202 203 Q C 2.381 178.138 176.000 -0.406 0.000 0.984 203 Q CA 2.248 57.913 55.803 -0.231 0.000 0.837 203 Q CB -0.332 28.277 28.738 -0.215 0.000 0.902 203 Q HN 0.620 nan 8.270 nan 0.000 0.423 204 H N 0.142 118.835 119.070 -0.628 0.000 2.321 204 H HA -0.135 4.457 4.556 0.060 0.000 0.295 204 H C 1.916 177.075 175.328 -0.282 0.000 1.102 204 H CA 2.228 57.786 56.048 -0.817 0.000 1.266 204 H CB 0.261 29.767 29.762 -0.427 0.000 1.363 204 H HN 0.068 nan 8.280 nan 0.000 0.492 205 K N -0.038 120.395 120.400 0.054 0.000 2.103 205 K HA -0.043 4.314 4.320 0.061 0.000 0.204 205 K C 2.371 178.973 176.600 0.003 0.000 1.052 205 K CA 0.978 57.325 56.287 0.100 0.000 0.945 205 K CB -0.297 32.233 32.500 0.050 0.000 0.722 205 K HN 0.240 nan 8.250 nan 0.000 0.443 206 V N 1.748 121.621 119.914 -0.068 0.000 2.358 206 V HA -0.229 3.928 4.120 0.061 0.000 0.246 206 V C 2.479 178.515 176.094 -0.097 0.000 1.047 206 V CA 1.882 64.138 62.300 -0.073 0.000 1.035 206 V CB -0.716 31.056 31.823 -0.085 0.000 0.658 206 V HN 0.272 nan 8.190 nan 0.000 0.452 207 A N -0.667 122.042 122.820 -0.185 0.000 1.892 207 A HA -0.318 4.039 4.320 0.061 0.000 0.218 207 A C 1.988 179.456 177.584 -0.193 0.000 1.188 207 A CA 2.506 54.419 52.037 -0.207 0.000 0.631 207 A CB -0.899 17.917 19.000 -0.307 0.000 0.822 207 A HN 0.719 nan 8.150 nan 0.000 0.447 208 H N -0.957 118.050 119.070 -0.104 0.000 2.389 208 H HA 0.132 4.725 4.556 0.062 0.000 0.299 208 H C 2.392 177.694 175.328 -0.044 0.000 1.081 208 H CA 1.269 57.272 56.048 -0.075 0.000 1.345 208 H CB -0.034 29.684 29.762 -0.073 0.000 1.393 208 H HN 0.539 nan 8.280 nan 0.000 0.520 209 A N 0.327 123.199 122.820 0.087 0.000 2.015 209 A HA -0.044 4.312 4.320 0.061 0.000 0.219 209 A C 1.928 179.560 177.584 0.079 0.000 1.163 209 A CA 0.967 53.052 52.037 0.081 0.000 0.646 209 A CB -0.217 18.808 19.000 0.041 0.000 0.806 209 A HN 0.358 nan 8.150 nan 0.000 0.448 210 L N -1.493 119.727 121.223 -0.004 0.000 2.585 210 L HA 0.214 4.591 4.340 0.061 0.000 0.226 210 L C 1.441 178.196 176.870 -0.192 0.000 1.113 210 L CA 0.474 55.304 54.840 -0.018 0.000 0.876 210 L CB -0.110 41.927 42.059 -0.036 0.000 1.072 210 L HN 0.546 nan 8.230 nan 0.000 0.468 211 G N 1.628 110.177 108.800 -0.419 0.000 2.246 211 G HA2 -0.269 3.727 3.960 0.061 0.000 0.273 211 G HA3 -0.269 3.727 3.960 0.061 0.000 0.273 211 G C -0.211 174.476 174.900 -0.354 0.000 1.055 211 G CA 0.140 44.780 45.100 -0.767 0.000 0.851 211 G HN 0.253 nan 8.290 nan 0.000 0.500 212 L N -0.547 120.546 121.223 -0.217 0.000 2.341 212 L HA 0.835 5.212 4.340 0.061 0.000 0.267 212 L C 0.887 177.690 176.870 -0.111 0.000 1.009 212 L CA -0.881 53.887 54.840 -0.120 0.000 0.819 212 L CB 1.929 43.950 42.059 -0.062 0.000 1.323 212 L HN 0.312 nan 8.230 nan 0.000 0.425 213 A N 0.716 123.475 122.820 -0.102 0.000 2.425 213 A HA 0.260 4.617 4.320 0.061 0.000 0.242 213 A C 0.719 178.309 177.584 0.010 0.000 1.077 213 A CA -0.100 51.826 52.037 -0.185 0.000 0.781 213 A CB 0.003 18.732 19.000 -0.452 0.000 1.020 213 A HN 0.616 nan 8.150 nan 0.000 0.494 214 F N 0.998 120.780 119.950 -0.281 0.000 2.192 214 F HA -0.211 4.354 4.527 0.063 0.000 0.301 214 F C 2.302 178.083 175.800 -0.031 0.000 1.079 214 F CA 2.145 60.049 58.000 -0.161 0.000 1.303 214 F CB -1.202 37.717 39.000 -0.135 0.000 1.024 214 F HN 0.901 nan 8.300 nan 0.000 0.494 215 H N -2.315 116.824 119.070 0.115 0.000 2.567 215 H HA 0.011 4.604 4.556 0.061 0.000 0.276 215 H C 0.435 175.770 175.328 0.012 0.000 1.016 215 H CA 0.675 56.751 56.048 0.045 0.000 1.186 215 H CB -0.237 29.537 29.762 0.020 0.000 1.351 215 H HN 0.155 nan 8.280 nan 0.000 0.605 216 D N 1.269 121.851 120.400 0.303 0.000 2.398 216 D HA 0.140 4.817 4.640 0.061 0.000 0.210 216 D C -0.345 175.978 176.300 0.038 0.000 1.094 216 D CA 0.087 54.166 54.000 0.132 0.000 0.839 216 D CB 1.326 42.207 40.800 0.134 0.000 0.963 216 D HN 0.170 nan 8.370 nan 0.000 0.506 217 V N 1.602 121.530 119.914 0.024 0.000 2.407 217 V HA 0.318 4.474 4.120 0.061 0.000 0.291 217 V C 0.056 176.122 176.094 -0.047 0.000 1.018 217 V CA -0.870 61.406 62.300 -0.040 0.000 0.842 217 V CB 2.481 34.247 31.823 -0.094 0.000 0.996 217 V HN -0.104 nan 8.190 nan 0.000 0.426 218 R N 3.985 124.447 120.500 -0.063 0.000 2.338 218 R HA 0.726 5.103 4.340 0.061 0.000 0.317 218 R C -1.738 174.492 176.300 -0.117 0.000 0.968 218 R CA -0.364 55.693 56.100 -0.073 0.000 0.849 218 R CB 1.849 32.108 30.300 -0.069 0.000 1.128 218 R HN 0.510 nan 8.270 nan 0.000 0.448 219 V N 4.765 124.618 119.914 -0.101 0.000 2.350 219 V HA 0.300 4.456 4.120 0.061 0.000 0.285 219 V C -0.405 175.630 176.094 -0.099 0.000 1.014 219 V CA -0.681 61.549 62.300 -0.116 0.000 0.831 219 V CB 1.498 33.274 31.823 -0.079 0.000 1.000 219 V HN 0.794 nan 8.190 nan 0.000 0.433 220 E N 4.496 124.605 120.200 -0.152 0.000 2.166 220 E HA 0.665 5.051 4.350 0.061 0.000 0.275 220 E C -0.668 175.945 176.600 0.021 0.000 0.941 220 E CA -0.781 55.584 56.400 -0.058 0.000 0.784 220 E CB 2.160 31.837 29.700 -0.039 0.000 1.115 220 E HN 0.587 nan 8.360 nan 0.000 0.399 221 M N 3.297 122.919 119.600 0.037 0.000 2.149 221 M HA 0.315 4.831 4.480 0.061 0.000 0.273 221 M C -0.527 175.803 176.300 0.051 0.000 0.972 221 M CA -0.396 54.931 55.300 0.047 0.000 0.984 221 M CB 1.477 34.091 32.600 0.023 0.000 1.699 221 M HN 0.342 nan 8.290 nan 0.000 0.462 222 R N 3.826 124.359 120.500 0.054 0.000 2.048 222 R HA 0.450 4.827 4.340 0.061 0.000 0.221 222 R C -0.236 176.107 176.300 0.073 0.000 1.174 222 R CA 1.740 57.872 56.100 0.053 0.000 0.971 222 R CB 0.426 30.733 30.300 0.012 0.000 0.863 222 R HN 0.769 nan 8.270 nan 0.000 0.439 223 R N -0.698 119.818 120.500 0.028 0.000 2.668 223 R HA 0.462 4.839 4.340 0.061 0.000 0.272 223 R C -1.241 175.105 176.300 0.077 0.000 1.019 223 R CA -0.763 55.360 56.100 0.038 0.000 0.894 223 R CB 1.416 31.718 30.300 0.002 0.000 1.228 223 R HN 0.042 nan 8.270 nan 0.000 0.460 224 M N 1.161 120.814 119.600 0.089 0.000 2.508 224 M HA 0.374 4.891 4.480 0.061 0.000 0.327 224 M C 0.600 177.004 176.300 0.173 0.000 1.160 224 M CA -0.726 54.633 55.300 0.098 0.000 0.980 224 M CB 2.335 34.915 32.600 -0.033 0.000 1.693 224 M HN 0.989 nan 8.290 nan 0.000 0.452 225 G N 1.577 110.456 108.800 0.132 0.000 3.581 225 G HA2 0.503 4.499 3.960 0.061 0.000 0.255 225 G HA3 0.503 4.499 3.960 0.061 0.000 0.255 225 G C 0.282 175.203 174.900 0.035 0.000 1.121 225 G CA 0.184 45.272 45.100 -0.019 0.000 1.739 225 G HN 1.076 nan 8.290 nan 0.000 0.646 226 G N -1.500 107.306 108.800 0.010 0.000 2.697 226 G HA2 0.393 4.389 3.960 0.061 0.000 0.686 226 G HA3 0.393 4.389 3.960 0.061 0.000 0.686 226 G C 0.443 175.285 174.900 -0.097 0.000 1.179 226 G CA -0.340 44.759 45.100 -0.001 0.000 0.765 226 G HN 1.139 nan 8.290 nan 0.000 0.649 227 G N -0.695 107.918 108.800 -0.311 0.000 2.604 227 G HA2 0.549 4.546 3.960 0.061 0.000 0.202 227 G HA3 0.549 4.546 3.960 0.061 0.000 0.202 227 G C 0.849 175.737 174.900 -0.019 0.000 1.212 227 G CA 0.872 45.850 45.100 -0.203 0.000 0.627 227 G HN 1.720 nan 8.290 nan 0.000 0.850 228 F N 0.830 120.769 119.950 -0.018 0.000 3.048 228 F HA -0.191 4.373 4.527 0.062 0.000 0.287 228 F C 1.982 177.736 175.800 -0.076 0.000 0.796 228 F CA 1.181 59.163 58.000 -0.029 0.000 1.111 228 F CB -1.446 37.530 39.000 -0.040 0.000 1.320 228 F HN 1.235 nan 8.300 nan 0.000 0.430 229 G N -1.073 107.735 108.800 0.014 0.000 2.258 229 G HA2 -0.199 3.798 3.960 0.061 0.000 0.233 229 G HA3 -0.199 3.798 3.960 0.061 0.000 0.233 229 G C 1.139 175.959 174.900 -0.134 0.000 1.006 229 G CA 0.117 45.244 45.100 0.044 0.000 0.620 229 G HN 1.265 nan 8.290 nan 0.000 0.511 230 G N 0.001 108.468 108.800 -0.554 0.000 2.708 230 G HA2 0.249 4.246 3.960 0.061 0.000 0.210 230 G HA3 0.249 4.246 3.960 0.061 0.000 0.210 230 G C 1.064 175.769 174.900 -0.325 0.000 1.141 230 G CA 1.345 45.947 45.100 -0.830 0.000 0.788 230 G HN 0.534 nan 8.290 nan 0.000 0.531 231 K N -0.537 119.718 120.400 -0.242 0.000 2.536 231 K HA 0.180 4.536 4.320 0.061 0.000 0.203 231 K C 1.206 177.767 176.600 -0.066 0.000 1.063 231 K CA -0.127 56.046 56.287 -0.190 0.000 1.063 231 K CB 0.810 33.147 32.500 -0.272 0.000 0.843 231 K HN 0.268 nan 8.250 nan 0.000 0.521 232 E N 0.883 121.076 120.200 -0.012 0.000 2.152 232 E HA -0.124 4.263 4.350 0.061 0.000 0.192 232 E C 1.468 178.131 176.600 0.104 0.000 0.983 232 E CA 1.683 58.130 56.400 0.078 0.000 0.818 232 E CB 0.386 30.161 29.700 0.126 0.000 0.758 232 E HN 0.240 nan 8.360 nan 0.000 0.467 233 S N -1.679 114.062 115.700 0.069 0.000 2.784 233 S HA 0.056 4.562 4.470 0.061 0.000 0.266 233 S C 1.573 176.225 174.600 0.088 0.000 1.079 233 S CA -0.562 57.680 58.200 0.069 0.000 0.989 233 S CB 0.026 63.272 63.200 0.075 0.000 0.926 233 S HN 0.044 nan 8.310 nan 0.000 0.497 234 Q N 1.753 121.589 119.800 0.060 0.000 2.364 234 Q HA 0.069 4.446 4.340 0.061 0.000 0.209 234 Q C 1.941 177.992 176.000 0.086 0.000 0.977 234 Q CA 1.502 57.347 55.803 0.070 0.000 0.885 234 Q CB -0.959 27.802 28.738 0.037 0.000 0.941 234 Q HN 0.735 nan 8.270 nan 0.000 0.464 235 G N 0.777 109.595 108.800 0.030 0.000 2.534 235 G HA2 -0.214 3.782 3.960 0.061 0.000 0.217 235 G HA3 -0.214 3.782 3.960 0.061 0.000 0.217 235 G C 1.251 176.191 174.900 0.066 0.000 1.128 235 G CA 0.298 45.396 45.100 -0.003 0.000 0.784 235 G HN 0.419 nan 8.290 nan 0.000 0.542 236 N N -0.082 118.697 118.700 0.131 0.000 2.104 236 N HA -0.155 4.621 4.740 0.061 0.000 0.190 236 N C 1.883 177.479 175.510 0.142 0.000 1.024 236 N CA 1.039 54.153 53.050 0.106 0.000 0.853 236 N CB -0.163 38.367 38.487 0.072 0.000 1.008 236 N HN 0.364 nan 8.380 nan 0.000 0.424 237 H N 0.172 119.323 119.070 0.135 0.000 2.387 237 H HA -0.031 4.561 4.556 0.060 0.000 0.299 237 H C 1.824 177.327 175.328 0.291 0.000 1.090 237 H CA 0.909 57.110 56.048 0.255 0.000 1.332 237 H CB -0.160 29.816 29.762 0.357 0.000 1.386 237 H HN 0.128 nan 8.280 nan 0.000 0.516 238 L N -0.195 121.187 121.223 0.264 0.000 2.072 238 L HA -0.011 4.365 4.340 0.061 0.000 0.205 238 L C 2.631 179.513 176.870 0.020 0.000 1.079 238 L CA 1.336 56.215 54.840 0.065 0.000 0.752 238 L CB -0.705 41.274 42.059 -0.132 0.000 0.906 238 L HN 0.278 nan 8.230 nan 0.000 0.436 239 A N 0.017 122.849 122.820 0.019 0.000 1.877 239 A HA -0.167 4.190 4.320 0.061 0.000 0.216 239 A C 2.321 179.901 177.584 -0.008 0.000 1.186 239 A CA 1.744 53.775 52.037 -0.009 0.000 0.620 239 A CB -0.798 18.190 19.000 -0.020 0.000 0.822 239 A HN 0.334 nan 8.150 nan 0.000 0.443 240 I N -0.168 120.412 120.570 0.017 0.000 2.179 240 I HA -0.301 3.905 4.170 0.061 0.000 0.242 240 I C 2.993 179.112 176.117 0.003 0.000 1.088 240 I CA 1.134 62.439 61.300 0.009 0.000 1.357 240 I CB -0.349 37.660 38.000 0.015 0.000 1.051 240 I HN 0.360 nan 8.210 nan 0.000 0.409 241 A N -0.156 122.695 122.820 0.052 0.000 1.883 241 A HA -0.258 4.099 4.320 0.061 0.000 0.217 241 A C 2.458 179.991 177.584 -0.085 0.000 1.186 241 A CA 2.052 54.094 52.037 0.009 0.000 0.624 241 A CB -1.316 17.699 19.000 0.025 0.000 0.822 241 A HN 0.554 nan 8.150 nan 0.000 0.444 242 C N -1.227 118.034 119.300 -0.065 0.000 2.432 242 C HA 0.077 4.574 4.460 0.061 0.000 0.277 242 C C 3.361 178.307 174.990 -0.073 0.000 1.249 242 C CA 0.797 59.773 59.018 -0.069 0.000 1.725 242 C CB -1.339 26.370 27.740 -0.052 0.000 2.028 242 C HN 0.709 nan 8.230 nan 0.000 0.477 243 A N -0.015 122.767 122.820 -0.064 0.000 1.902 243 A HA -0.119 4.237 4.320 0.061 0.000 0.217 243 A C 2.308 179.843 177.584 -0.083 0.000 1.181 243 A CA 2.144 54.145 52.037 -0.061 0.000 0.623 243 A CB -0.816 18.154 19.000 -0.051 0.000 0.818 243 A HN 0.360 nan 8.150 nan 0.000 0.443 244 V N -0.311 119.528 119.914 -0.124 0.000 2.295 244 V HA -0.241 3.916 4.120 0.061 0.000 0.246 244 V C 3.066 178.957 176.094 -0.338 0.000 1.049 244 V CA 2.052 64.229 62.300 -0.206 0.000 1.024 244 V CB -1.058 30.618 31.823 -0.245 0.000 0.648 244 V HN 0.626 nan 8.190 nan 0.000 0.447 245 A N -0.358 122.225 122.820 -0.395 0.000 1.898 245 A HA -0.070 4.287 4.320 0.061 0.000 0.216 245 A C 2.387 179.951 177.584 -0.033 0.000 1.181 245 A CA 1.951 53.803 52.037 -0.308 0.000 0.620 245 A CB -0.728 18.198 19.000 -0.123 0.000 0.819 245 A HN 0.572 nan 8.150 nan 0.000 0.442 246 A N -0.151 122.642 122.820 -0.044 0.000 1.898 246 A HA -0.151 4.205 4.320 0.061 0.000 0.216 246 A C 2.244 179.835 177.584 0.011 0.000 1.181 246 A CA 1.663 53.697 52.037 -0.005 0.000 0.620 246 A CB -0.532 18.457 19.000 -0.019 0.000 0.819 246 A HN 0.575 nan 8.150 nan 0.000 0.442 247 R N -0.169 120.327 120.500 -0.006 0.000 2.082 247 R HA -0.162 4.214 4.340 0.061 0.000 0.234 247 R C 2.282 178.614 176.300 0.053 0.000 1.136 247 R CA 1.823 57.934 56.100 0.017 0.000 0.935 247 R CB -0.513 29.792 30.300 0.008 0.000 0.842 247 R HN 0.405 nan 8.270 nan 0.000 0.430 248 A N 0.070 122.940 122.820 0.083 0.000 1.898 248 A HA -0.145 4.211 4.320 0.061 0.000 0.216 248 A C 2.241 179.922 177.584 0.162 0.000 1.181 248 A CA 2.084 54.226 52.037 0.174 0.000 0.620 248 A CB -0.840 18.384 19.000 0.374 0.000 0.819 248 A HN 0.702 nan 8.150 nan 0.000 0.442 249 T N -4.655 109.994 114.554 0.160 0.000 3.035 249 T HA 0.365 4.752 4.350 0.061 0.000 0.259 249 T C 1.580 176.323 174.700 0.070 0.000 1.078 249 T CA 1.220 63.391 62.100 0.118 0.000 1.132 249 T CB -0.109 68.834 68.868 0.125 0.000 0.900 249 T HN 1.719 nan 8.240 nan 0.000 0.480 250 G N 1.673 110.507 108.800 0.058 0.000 2.179 250 G HA2 -0.228 3.768 3.960 0.061 0.000 0.260 250 G HA3 -0.228 3.768 3.960 0.061 0.000 0.260 250 G C 0.154 175.072 174.900 0.029 0.000 0.977 250 G CA 0.031 45.153 45.100 0.038 0.000 0.641 250 G HN 0.692 nan 8.290 nan 0.000 0.533 251 R N 0.144 120.662 120.500 0.031 0.000 2.787 251 R HA 0.491 4.868 4.340 0.061 0.000 0.271 251 R C -2.826 173.477 176.300 0.005 0.000 0.993 251 R CA -2.077 54.034 56.100 0.019 0.000 0.993 251 R CB 1.370 31.684 30.300 0.023 0.000 1.155 251 R HN 0.005 nan 8.270 nan 0.000 0.486 252 P HA 0.052 nan 4.420 nan 0.000 0.267 252 P C -0.723 176.546 177.300 -0.051 0.000 1.205 252 P CA -0.094 62.993 63.100 -0.021 0.000 0.765 252 P CB 0.456 32.143 31.700 -0.022 0.000 0.828 253 C N 4.689 123.959 119.300 -0.051 0.000 2.379 253 C HA 0.504 5.000 4.460 0.061 0.000 0.323 253 C C 0.253 175.193 174.990 -0.084 0.000 1.262 253 C CA -0.351 58.623 59.018 -0.072 0.000 1.581 253 C CB 0.731 28.447 27.740 -0.040 0.000 2.221 253 C HN 0.508 nan 8.230 nan 0.000 0.497 254 K N 3.250 123.571 120.400 -0.132 0.000 2.324 254 K HA 0.743 5.099 4.320 0.061 0.000 0.253 254 K C -1.342 175.250 176.600 -0.014 0.000 0.932 254 K CA -0.424 55.812 56.287 -0.084 0.000 0.799 254 K CB 1.602 34.026 32.500 -0.126 0.000 1.154 254 K HN 0.821 nan 8.250 nan 0.000 0.425 255 M N 4.727 124.326 119.600 -0.001 0.000 2.213 255 M HA 0.372 4.888 4.480 0.061 0.000 0.286 255 M C -1.684 174.622 176.300 0.010 0.000 1.008 255 M CA -0.625 54.682 55.300 0.010 0.000 0.937 255 M CB 1.481 34.029 32.600 -0.087 0.000 1.600 255 M HN 0.623 nan 8.290 nan 0.000 0.450 256 R N 3.516 124.091 120.500 0.125 0.000 2.628 256 R HA 0.495 4.871 4.340 0.061 0.000 0.288 256 R C -1.833 174.643 176.300 0.294 0.000 0.980 256 R CA -0.768 55.389 56.100 0.094 0.000 0.891 256 R CB 1.167 31.501 30.300 0.057 0.000 1.188 256 R HN 0.600 nan 8.270 nan 0.000 0.450 257 Y N 1.178 121.546 120.300 0.114 0.000 2.359 257 Y HA 0.007 4.596 4.550 0.065 0.000 0.330 257 Y C 0.621 176.595 175.900 0.124 0.000 1.143 257 Y CA -0.608 57.565 58.100 0.121 0.000 1.318 257 Y CB 1.038 39.562 38.460 0.106 0.000 1.234 257 Y HN 0.691 nan 8.280 nan 0.000 0.522 258 D N 1.945 122.522 120.400 0.296 0.000 2.399 258 D HA 0.011 4.688 4.640 0.061 0.000 0.241 258 D C 1.261 177.636 176.300 0.125 0.000 1.133 258 D CA -0.150 53.964 54.000 0.190 0.000 0.890 258 D CB 1.010 41.908 40.800 0.164 0.000 1.201 258 D HN 0.457 nan 8.370 nan 0.000 0.432 259 R N 1.663 122.206 120.500 0.073 0.000 2.103 259 R HA -0.190 4.187 4.340 0.061 0.000 0.242 259 R C 1.060 177.369 176.300 0.015 0.000 1.142 259 R CA 2.109 58.211 56.100 0.004 0.000 0.960 259 R CB -0.260 30.022 30.300 -0.029 0.000 0.858 259 R HN 0.562 nan 8.270 nan 0.000 0.439 260 D N 0.066 120.504 120.400 0.064 0.000 2.084 260 D HA -0.144 4.532 4.640 0.061 0.000 0.194 260 D C 1.492 177.787 176.300 -0.008 0.000 0.990 260 D CA 1.545 55.602 54.000 0.095 0.000 0.826 260 D CB -0.540 40.326 40.800 0.111 0.000 0.971 260 D HN 0.236 nan 8.370 nan 0.000 0.453 261 D N 0.511 120.885 120.400 -0.043 0.000 2.106 261 D HA -0.158 4.519 4.640 0.061 0.000 0.191 261 D C 1.678 177.854 176.300 -0.206 0.000 0.997 261 D CA 0.878 54.786 54.000 -0.154 0.000 0.834 261 D CB -0.387 40.306 40.800 -0.178 0.000 0.956 261 D HN 0.186 nan 8.370 nan 0.000 0.448 262 D N -0.091 120.270 120.400 -0.064 0.000 2.127 262 D HA -0.176 4.501 4.640 0.061 0.000 0.190 262 D C 2.114 178.437 176.300 0.039 0.000 1.000 262 D CA 1.172 55.231 54.000 0.098 0.000 0.839 262 D CB -0.048 40.873 40.800 0.201 0.000 0.955 262 D HN 0.202 nan 8.370 nan 0.000 0.446 263 M N 0.042 119.632 119.600 -0.016 0.000 2.279 263 M HA -0.124 4.392 4.480 0.061 0.000 0.264 263 M C 2.365 178.677 176.300 0.020 0.000 1.062 263 M CA 0.665 55.947 55.300 -0.031 0.000 1.099 263 M CB -0.007 32.557 32.600 -0.061 0.000 1.394 263 M HN -0.032 nan 8.290 nan 0.000 0.426 264 V N 0.370 120.290 119.914 0.010 0.000 2.446 264 V HA -0.157 4.000 4.120 0.061 0.000 0.244 264 V C 2.111 178.293 176.094 0.147 0.000 1.039 264 V CA 1.318 63.644 62.300 0.044 0.000 1.045 264 V CB -0.256 31.524 31.823 -0.071 0.000 0.681 264 V HN 0.367 nan 8.190 nan 0.000 0.459 265 I N 0.208 120.807 120.570 0.048 0.000 2.235 265 I HA -0.065 4.142 4.170 0.061 0.000 0.241 265 I C 1.690 177.918 176.117 0.184 0.000 1.085 265 I CA 1.122 62.495 61.300 0.122 0.000 1.378 265 I CB -0.590 37.334 38.000 -0.126 0.000 1.076 265 I HN 0.422 nan 8.210 nan 0.000 0.415 266 T N -0.219 114.419 114.554 0.141 0.000 2.726 266 T HA 0.392 4.779 4.350 0.061 0.000 0.294 266 T C 0.490 175.263 174.700 0.123 0.000 1.013 266 T CA -0.339 61.852 62.100 0.152 0.000 0.996 266 T CB 0.906 69.909 68.868 0.223 0.000 1.016 266 T HN 0.259 nan 8.240 nan 0.000 0.529 267 G N -0.059 108.809 108.800 0.113 0.000 2.543 267 G HA2 0.603 4.599 3.960 0.061 0.000 0.290 267 G HA3 0.603 4.599 3.960 0.061 0.000 0.290 267 G C -0.732 174.275 174.900 0.178 0.000 1.310 267 G CA -0.894 44.264 45.100 0.097 0.000 1.025 267 G HN 0.851 nan 8.290 nan 0.000 0.502 268 K N -1.615 118.860 120.400 0.125 0.000 2.466 268 K HA 0.406 4.762 4.320 0.061 0.000 0.277 268 K C -0.266 176.380 176.600 0.077 0.000 1.039 268 K CA -0.898 55.455 56.287 0.110 0.000 0.904 268 K CB 2.005 34.567 32.500 0.103 0.000 1.506 268 K HN 0.442 nan 8.250 nan 0.000 0.441 269 R N 1.072 121.633 120.500 0.101 0.000 2.570 269 R HA 0.052 4.429 4.340 0.061 0.000 0.277 269 R C -0.762 175.577 176.300 0.064 0.000 1.039 269 R CA 0.008 56.139 56.100 0.051 0.000 1.065 269 R CB 0.150 30.323 30.300 -0.213 0.000 0.964 269 R HN 0.515 nan 8.270 nan 0.000 0.428 270 H N 2.862 121.993 119.070 0.101 0.000 3.138 270 H HA -0.030 4.562 4.556 0.061 0.000 0.275 270 H C -0.259 175.243 175.328 0.289 0.000 0.997 270 H CA 0.502 56.641 56.048 0.151 0.000 1.460 270 H CB 0.147 30.013 29.762 0.174 0.000 1.524 270 H HN 0.515 nan 8.280 nan 0.000 0.532 271 D N 3.224 123.792 120.400 0.280 0.000 2.372 271 D HA 0.107 4.784 4.640 0.061 0.000 0.243 271 D C -0.204 176.231 176.300 0.225 0.000 1.121 271 D CA -0.070 54.107 54.000 0.295 0.000 0.898 271 D CB 0.987 41.916 40.800 0.216 0.000 1.202 271 D HN 0.278 nan 8.370 nan 0.000 0.428 272 F N -0.499 119.461 119.950 0.017 0.000 2.577 272 F HA 0.381 4.944 4.527 0.060 0.000 0.318 272 F C 0.607 176.351 175.800 -0.093 0.000 1.065 272 F CA -1.203 56.773 58.000 -0.041 0.000 0.929 272 F CB 2.525 41.462 39.000 -0.105 0.000 1.237 272 F HN 0.100 nan 8.300 nan 0.000 0.468 273 R N 3.529 124.076 120.500 0.077 0.000 2.387 273 R HA 0.679 5.056 4.340 0.061 0.000 0.314 273 R C -1.663 174.732 176.300 0.157 0.000 0.958 273 R CA -0.431 55.698 56.100 0.049 0.000 0.846 273 R CB 1.025 31.348 30.300 0.039 0.000 1.147 273 R HN 0.701 nan 8.270 nan 0.000 0.447 274 I N 4.588 125.236 120.570 0.131 0.000 2.411 274 I HA 0.355 4.562 4.170 0.061 0.000 0.284 274 I C -0.122 176.286 176.117 0.484 0.000 1.012 274 I CA -0.699 60.821 61.300 0.366 0.000 1.119 274 I CB 1.795 40.019 38.000 0.374 0.000 1.261 274 I HN 0.461 nan 8.210 nan 0.000 0.448 275 R N 6.367 127.112 120.500 0.408 0.000 2.428 275 R HA 0.570 4.946 4.340 0.061 0.000 0.294 275 R C -1.655 174.852 176.300 0.344 0.000 1.000 275 R CA -0.400 55.863 56.100 0.271 0.000 0.960 275 R CB 1.254 31.635 30.300 0.135 0.000 1.076 275 R HN 0.567 nan 8.270 nan 0.000 0.475 276 Y N -0.225 120.155 120.300 0.134 0.000 2.534 276 Y HA 0.564 5.151 4.550 0.061 0.000 0.345 276 Y C -1.372 174.429 175.900 -0.166 0.000 1.031 276 Y CA -1.319 56.740 58.100 -0.068 0.000 1.022 276 Y CB 1.465 39.933 38.460 0.013 0.000 1.292 276 Y HN 0.423 nan 8.280 nan 0.000 0.459 277 R N 3.685 124.101 120.500 -0.141 0.000 2.483 277 R HA 0.674 5.050 4.340 0.061 0.000 0.303 277 R C -1.793 174.407 176.300 -0.166 0.000 0.987 277 R CA -0.683 55.329 56.100 -0.146 0.000 0.881 277 R CB 2.376 32.588 30.300 -0.147 0.000 1.177 277 R HN 0.926 nan 8.270 nan 0.000 0.451 278 I N 1.357 121.867 120.570 -0.100 0.000 2.498 278 I HA 0.667 4.873 4.170 0.061 0.000 0.290 278 I C -0.641 175.422 176.117 -0.089 0.000 1.032 278 I CA -0.430 60.801 61.300 -0.116 0.000 1.073 278 I CB 1.925 39.864 38.000 -0.102 0.000 1.251 278 I HN 0.702 nan 8.210 nan 0.000 0.426 279 G N 5.245 113.998 108.800 -0.079 0.000 2.482 279 G HA2 0.832 4.829 3.960 0.061 0.000 0.317 279 G HA3 0.832 4.829 3.960 0.061 0.000 0.317 279 G C -1.575 173.304 174.900 -0.035 0.000 1.241 279 G CA -0.461 44.609 45.100 -0.049 0.000 0.967 279 G HN 0.870 nan 8.290 nan 0.000 0.482 280 A N 0.968 123.790 122.820 0.004 0.000 2.485 280 A HA 0.769 5.126 4.320 0.061 0.000 0.292 280 A C -0.540 177.076 177.584 0.053 0.000 1.147 280 A CA -0.691 51.353 52.037 0.011 0.000 0.750 280 A CB 1.549 20.541 19.000 -0.014 0.000 1.331 280 A HN 0.622 nan 8.150 nan 0.000 0.419 281 D N 0.014 120.438 120.400 0.040 0.000 2.360 281 D HA 0.363 5.040 4.640 0.061 0.000 0.242 281 D C 1.384 177.753 176.300 0.116 0.000 1.184 281 D CA 0.621 54.653 54.000 0.054 0.000 0.930 281 D CB 1.538 42.356 40.800 0.030 0.000 1.161 281 D HN 0.506 nan 8.370 nan 0.000 0.447 282 A N 1.251 124.130 122.820 0.098 0.000 2.067 282 A HA -0.141 4.216 4.320 0.061 0.000 0.219 282 A C 1.969 179.604 177.584 0.085 0.000 1.158 282 A CA 1.793 53.906 52.037 0.126 0.000 0.661 282 A CB -0.306 18.730 19.000 0.060 0.000 0.801 282 A HN 0.534 nan 8.150 nan 0.000 0.452 283 S N -2.839 112.888 115.700 0.046 0.000 2.503 283 S HA 0.402 4.909 4.470 0.061 0.000 0.217 283 S C 1.433 176.030 174.600 -0.005 0.000 0.999 283 S CA 1.063 59.275 58.200 0.019 0.000 0.914 283 S CB 0.163 63.373 63.200 0.015 0.000 0.782 283 S HN 1.728 nan 8.310 nan 0.000 0.520 284 G N 0.899 109.696 108.800 -0.005 0.000 2.231 284 G HA2 -0.169 3.828 3.960 0.061 0.000 0.206 284 G HA3 -0.169 3.828 3.960 0.061 0.000 0.206 284 G C -0.077 174.798 174.900 -0.041 0.000 0.996 284 G CA -0.400 44.672 45.100 -0.046 0.000 0.645 284 G HN 0.365 nan 8.290 nan 0.000 0.498 285 K N 1.276 121.667 120.400 -0.014 0.000 2.451 285 K HA 0.286 4.642 4.320 0.061 0.000 0.280 285 K C 1.108 177.700 176.600 -0.013 0.000 1.020 285 K CA -0.132 56.152 56.287 -0.004 0.000 1.008 285 K CB 0.688 33.203 32.500 0.025 0.000 0.917 285 K HN 0.407 nan 8.250 nan 0.000 0.478 286 L N 4.417 125.622 121.223 -0.030 0.000 2.490 286 L HA -0.075 4.301 4.340 0.061 0.000 0.274 286 L C 1.701 178.543 176.870 -0.046 0.000 1.201 286 L CA 0.048 54.858 54.840 -0.052 0.000 0.869 286 L CB 0.103 42.117 42.059 -0.074 0.000 1.123 286 L HN 0.518 nan 8.230 nan 0.000 0.484 287 L N 2.221 123.417 121.223 -0.046 0.000 2.347 287 L HA 0.365 4.741 4.340 0.061 0.000 0.196 287 L C 0.951 177.783 176.870 -0.063 0.000 1.072 287 L CA 0.385 55.199 54.840 -0.044 0.000 0.817 287 L CB -0.032 42.011 42.059 -0.027 0.000 1.029 287 L HN 0.724 nan 8.230 nan 0.000 0.478 288 G N -0.729 108.032 108.800 -0.065 0.000 2.690 288 G HA2 0.707 4.703 3.960 0.061 0.000 0.293 288 G HA3 0.707 4.703 3.960 0.061 0.000 0.293 288 G C -1.959 172.888 174.900 -0.088 0.000 1.399 288 G CA -0.043 45.016 45.100 -0.068 0.000 0.890 288 G HN 0.106 nan 8.290 nan 0.000 0.485 289 A N 0.749 123.513 122.820 -0.094 0.000 2.442 289 A HA 0.654 5.010 4.320 0.061 0.000 0.284 289 A C -1.723 175.708 177.584 -0.254 0.000 1.058 289 A CA -0.518 51.397 52.037 -0.202 0.000 0.738 289 A CB 1.952 20.898 19.000 -0.089 0.000 1.242 289 A HN 0.569 nan 8.150 nan 0.000 0.421 290 D N 1.593 121.769 120.400 -0.373 0.000 2.256 290 D HA 0.698 5.375 4.640 0.061 0.000 0.240 290 D C -1.221 174.838 176.300 -0.402 0.000 1.062 290 D CA 0.164 54.014 54.000 -0.251 0.000 0.832 290 D CB 0.519 41.241 40.800 -0.131 0.000 1.135 290 D HN 0.256 nan 8.370 nan 0.000 0.484 291 F N 2.070 122.037 119.950 0.027 0.000 2.551 291 F HA 0.516 5.080 4.527 0.062 0.000 0.316 291 F C -0.251 175.539 175.800 -0.016 0.000 1.089 291 F CA -1.029 56.992 58.000 0.036 0.000 0.915 291 F CB 2.138 41.109 39.000 -0.048 0.000 1.186 291 F HN -0.016 nan 8.300 nan 0.000 0.456 292 V N 2.298 122.387 119.914 0.292 0.000 2.407 292 V HA 0.301 4.457 4.120 0.061 0.000 0.291 292 V C -0.751 175.574 176.094 0.384 0.000 1.018 292 V CA -0.797 61.647 62.300 0.239 0.000 0.842 292 V CB 1.285 33.237 31.823 0.215 0.000 0.996 292 V HN 0.730 nan 8.190 nan 0.000 0.426 293 H N 5.415 124.650 119.070 0.275 0.000 2.594 293 H HA 0.543 5.136 4.556 0.061 0.000 0.304 293 H C -0.698 174.750 175.328 0.200 0.000 1.068 293 H CA -0.704 55.526 56.048 0.303 0.000 1.308 293 H CB 1.284 31.266 29.762 0.366 0.000 1.409 293 H HN 0.454 nan 8.280 nan 0.000 0.460 294 L N 3.415 124.765 121.223 0.212 0.000 2.276 294 L HA 0.542 4.919 4.340 0.061 0.000 0.286 294 L C -0.053 176.627 176.870 -0.317 0.000 1.024 294 L CA -0.683 54.159 54.840 0.003 0.000 0.826 294 L CB 1.152 43.205 42.059 -0.012 0.000 1.211 294 L HN 0.590 nan 8.230 nan 0.000 0.422 295 A N 4.187 126.733 122.820 -0.458 0.000 2.331 295 A HA 0.576 4.933 4.320 0.061 0.000 0.320 295 A C -0.482 176.935 177.584 -0.279 0.000 1.138 295 A CA -0.700 50.866 52.037 -0.784 0.000 0.790 295 A CB 1.278 19.601 19.000 -1.129 0.000 1.206 295 A HN 0.760 nan 8.150 nan 0.000 0.470 296 R N 2.487 122.879 120.500 -0.180 0.000 2.216 296 R HA 0.317 4.694 4.340 0.061 0.000 0.332 296 R C -0.324 176.005 176.300 0.047 0.000 1.056 296 R CA -0.262 55.804 56.100 -0.057 0.000 0.901 296 R CB 0.341 30.595 30.300 -0.077 0.000 1.039 296 R HN 0.795 nan 8.270 nan 0.000 0.456 297 C N 3.231 122.600 119.300 0.115 0.000 2.791 297 C HA 0.363 4.859 4.460 0.061 0.000 0.288 297 C C 1.180 176.195 174.990 0.043 0.000 1.271 297 C CA 0.463 59.587 59.018 0.177 0.000 1.726 297 C CB -0.773 27.150 27.740 0.306 0.000 2.145 297 C HN 1.122 nan 8.230 nan 0.000 0.572 298 G N 1.009 109.848 108.800 0.065 0.000 2.660 298 G HA2 -0.229 3.768 3.960 0.061 0.000 0.215 298 G HA3 -0.229 3.768 3.960 0.061 0.000 0.215 298 G C 0.426 175.451 174.900 0.208 0.000 1.345 298 G CA 0.121 45.253 45.100 0.054 0.000 0.877 298 G HN 0.548 nan 8.290 nan 0.000 0.549 299 W N 0.530 121.822 121.300 -0.012 0.000 2.388 299 W HA 0.272 4.967 4.660 0.060 0.000 0.294 299 W C 1.057 177.714 176.519 0.230 0.000 1.212 299 W CA 1.724 59.121 57.345 0.087 0.000 1.271 299 W CB -1.509 27.992 29.460 0.068 0.000 1.126 299 W HN 1.377 nan 8.180 nan 0.000 0.535 300 S N -0.476 114.791 115.700 -0.722 0.000 2.607 300 S HA 0.704 5.211 4.470 0.061 0.000 0.303 300 S C 0.946 175.107 174.600 -0.733 0.000 1.086 300 S CA -0.174 57.566 58.200 -0.768 0.000 0.995 300 S CB 2.225 64.570 63.200 -1.425 0.000 1.084 300 S HN 0.235 nan 8.310 nan 0.000 0.507 301 A N 1.439 123.747 122.820 -0.852 0.000 1.851 301 A HA 0.001 4.358 4.320 0.061 0.000 0.216 301 A C 1.220 178.483 177.584 -0.535 0.000 1.195 301 A CA 2.214 53.660 52.037 -0.985 0.000 0.622 301 A CB -1.931 16.696 19.000 -0.622 0.000 0.831 301 A HN 1.239 nan 8.150 nan 0.000 0.444 302 D N -2.307 117.878 120.400 -0.358 0.000 3.927 302 D HA -0.234 4.443 4.640 0.061 0.000 0.142 302 D C 0.308 176.551 176.300 -0.095 0.000 0.830 302 D CA 2.335 56.224 54.000 -0.186 0.000 1.091 302 D CB -1.090 39.617 40.800 -0.155 0.000 0.495 302 D HN 0.231 nan 8.370 nan 0.000 0.489 303 L N 0.417 121.628 121.223 -0.020 0.000 3.110 303 L HA 0.337 4.714 4.340 0.061 0.000 0.266 303 L C 1.419 178.258 176.870 -0.052 0.000 1.257 303 L CA -0.148 54.723 54.840 0.053 0.000 1.038 303 L CB 0.535 42.720 42.059 0.211 0.000 1.395 303 L HN 0.110 nan 8.230 nan 0.000 0.566 304 S N 0.391 116.026 115.700 -0.108 0.000 2.383 304 S HA -0.144 4.363 4.470 0.061 0.000 0.227 304 S C 1.825 176.296 174.600 -0.214 0.000 1.026 304 S CA 1.118 59.186 58.200 -0.219 0.000 0.981 304 S CB 0.017 63.136 63.200 -0.135 0.000 0.818 304 S HN 0.465 nan 8.310 nan 0.000 0.472 305 L N 2.568 123.723 121.223 -0.114 0.000 1.976 305 L HA -0.051 4.325 4.340 0.061 0.000 0.209 305 L C -0.869 176.028 176.870 0.045 0.000 1.071 305 L CA 1.530 56.352 54.840 -0.029 0.000 0.746 305 L CB -1.053 41.005 42.059 -0.002 0.000 0.890 305 L HN 0.196 nan 8.230 nan 0.000 0.432 306 P HA -0.102 nan 4.420 nan 0.000 0.219 306 P C 1.944 179.394 177.300 0.251 0.000 1.150 306 P CA 1.157 64.439 63.100 0.304 0.000 0.814 306 P CB 0.016 32.008 31.700 0.486 0.000 0.787 307 V N 0.620 120.413 119.914 -0.201 0.000 2.255 307 V HA -0.268 3.889 4.120 0.061 0.000 0.247 307 V C 2.841 178.822 176.094 -0.188 0.000 1.051 307 V CA 2.310 64.257 62.300 -0.589 0.000 1.018 307 V CB -1.503 29.812 31.823 -0.848 0.000 0.641 307 V HN 0.174 nan 8.190 nan 0.000 0.445 308 C N -0.290 118.931 119.300 -0.131 0.000 2.435 308 C HA -0.116 4.381 4.460 0.061 0.000 0.279 308 C C 2.465 177.499 174.990 0.072 0.000 1.321 308 C CA 0.468 59.503 59.018 0.027 0.000 1.752 308 C CB -1.144 26.595 27.740 -0.002 0.000 1.959 308 C HN 0.607 nan 8.230 nan 0.000 0.500 309 D N 0.590 121.060 120.400 0.116 0.000 2.106 309 D HA -0.179 4.497 4.640 0.061 0.000 0.191 309 D C 2.274 178.745 176.300 0.285 0.000 0.997 309 D CA 1.293 55.447 54.000 0.257 0.000 0.834 309 D CB -0.490 40.570 40.800 0.432 0.000 0.956 309 D HN 0.467 nan 8.370 nan 0.000 0.448 310 R N 0.325 120.985 120.500 0.267 0.000 2.120 310 R HA -0.070 4.307 4.340 0.061 0.000 0.234 310 R C 2.074 178.523 176.300 0.249 0.000 1.123 310 R CA 1.263 57.534 56.100 0.285 0.000 0.975 310 R CB -0.110 30.373 30.300 0.304 0.000 0.866 310 R HN 0.132 nan 8.270 nan 0.000 0.446 311 A N 0.768 123.653 122.820 0.109 0.000 1.902 311 A HA -0.188 4.168 4.320 0.061 0.000 0.217 311 A C 2.175 179.875 177.584 0.192 0.000 1.181 311 A CA 1.577 53.624 52.037 0.016 0.000 0.623 311 A CB -0.409 18.507 19.000 -0.140 0.000 0.818 311 A HN 0.331 nan 8.150 nan 0.000 0.443 312 M N -1.134 118.594 119.600 0.212 0.000 2.132 312 M HA -0.102 4.415 4.480 0.061 0.000 0.263 312 M C 1.930 178.521 176.300 0.485 0.000 1.065 312 M CA 1.027 56.447 55.300 0.199 0.000 1.122 312 M CB -0.434 31.994 32.600 -0.287 0.000 1.365 312 M HN 0.297 nan 8.290 nan 0.000 0.411 313 L N -0.459 121.033 121.223 0.448 0.000 2.129 313 L HA -0.218 4.158 4.340 0.061 0.000 0.212 313 L C 1.804 178.817 176.870 0.238 0.000 1.087 313 L CA 2.056 57.022 54.840 0.211 0.000 0.757 313 L CB -1.347 40.659 42.059 -0.088 0.000 0.896 313 L HN 0.347 nan 8.230 nan 0.000 0.434 314 H N -2.200 117.023 119.070 0.255 0.000 2.586 314 H HA 0.341 4.933 4.556 0.061 0.000 0.273 314 H C 1.814 177.239 175.328 0.162 0.000 0.997 314 H CA 0.516 56.670 56.048 0.177 0.000 1.177 314 H CB 0.159 29.920 29.762 -0.002 0.000 1.471 314 H HN 0.205 nan 8.280 nan 0.000 0.538 315 A N 0.993 123.947 122.820 0.222 0.000 2.259 315 A HA -0.137 4.220 4.320 0.061 0.000 0.212 315 A C 1.345 178.883 177.584 -0.076 0.000 1.178 315 A CA 1.402 53.390 52.037 -0.082 0.000 0.734 315 A CB -0.245 18.617 19.000 -0.231 0.000 0.774 315 A HN 0.528 nan 8.150 nan 0.000 0.481 316 D N -1.847 118.681 120.400 0.213 0.000 2.354 316 D HA 0.265 4.941 4.640 0.061 0.000 0.209 316 D C 1.275 177.792 176.300 0.361 0.000 1.015 316 D CA 0.942 55.139 54.000 0.328 0.000 0.867 316 D CB -0.715 40.421 40.800 0.561 0.000 0.933 316 D HN 0.587 nan 8.370 nan 0.000 0.520 317 G N 0.982 109.952 108.800 0.284 0.000 2.591 317 G HA2 -0.325 3.672 3.960 0.061 0.000 0.298 317 G HA3 -0.325 3.672 3.960 0.061 0.000 0.298 317 G C 0.604 175.524 174.900 0.033 0.000 1.195 317 G CA 0.783 46.017 45.100 0.224 0.000 0.989 317 G HN 0.391 nan 8.290 nan 0.000 0.551 318 S N 0.739 116.159 115.700 -0.467 0.000 2.574 318 S HA 0.505 5.012 4.470 0.061 0.000 0.242 318 S C -0.595 173.761 174.600 -0.408 0.000 0.982 318 S CA 0.103 58.024 58.200 -0.466 0.000 0.977 318 S CB 0.117 62.981 63.200 -0.559 0.000 0.814 318 S HN 0.490 nan 8.310 nan 0.000 0.464 319 Y N 0.217 120.670 120.300 0.255 0.000 2.425 319 Y HA 0.534 5.121 4.550 0.061 0.000 0.344 319 Y C -0.410 175.250 175.900 -0.401 0.000 0.969 319 Y CA -1.731 56.361 58.100 -0.013 0.000 1.052 319 Y CB 0.721 39.215 38.460 0.058 0.000 1.215 319 Y HN 0.147 nan 8.280 nan 0.000 0.451 320 F N 3.720 123.217 119.950 -0.755 0.000 2.467 320 F HA 0.541 5.104 4.527 0.061 0.000 0.362 320 F C -0.805 174.897 175.800 -0.162 0.000 1.090 320 F CA -0.660 56.923 58.000 -0.696 0.000 1.202 320 F CB 0.392 39.035 39.000 -0.596 0.000 1.113 320 F HN 0.202 nan 8.300 nan 0.000 0.541 321 V N 9.462 128.931 119.914 -0.742 0.000 2.409 321 V HA 0.222 4.379 4.120 0.061 0.000 0.290 321 V C -1.771 173.918 176.094 -0.675 0.000 1.017 321 V CA -1.279 60.711 62.300 -0.517 0.000 0.841 321 V CB 1.490 33.232 31.823 -0.135 0.000 1.003 321 V HN 0.640 nan 8.190 nan 0.000 0.426 322 P HA -0.071 nan 4.420 nan 0.000 0.216 322 P C 0.321 177.527 177.300 -0.156 0.000 1.153 322 P CA 1.363 64.252 63.100 -0.352 0.000 0.858 322 P CB 0.361 31.972 31.700 -0.147 0.000 0.789 323 A N -0.655 122.097 122.820 -0.113 0.000 2.343 323 A HA 0.702 5.058 4.320 0.061 0.000 0.308 323 A C -1.342 176.231 177.584 -0.018 0.000 1.092 323 A CA -0.510 51.504 52.037 -0.038 0.000 0.751 323 A CB 0.599 19.584 19.000 -0.025 0.000 1.203 323 A HN 0.124 nan 8.150 nan 0.000 0.452 324 L N 2.390 123.636 121.223 0.038 0.000 2.562 324 L HA 0.675 5.052 4.340 0.061 0.000 0.266 324 L C -0.753 176.188 176.870 0.120 0.000 0.949 324 L CA -0.379 54.506 54.840 0.075 0.000 0.879 324 L CB 1.601 43.718 42.059 0.096 0.000 1.278 324 L HN 0.890 nan 8.230 nan 0.000 0.404 325 R N 4.872 125.436 120.500 0.107 0.000 2.686 325 R HA 0.823 5.200 4.340 0.061 0.000 0.286 325 R C -1.771 174.608 176.300 0.131 0.000 0.969 325 R CA -0.520 55.657 56.100 0.129 0.000 0.898 325 R CB 1.721 32.075 30.300 0.090 0.000 1.183 325 R HN 0.638 nan 8.270 nan 0.000 0.456 326 I N 1.939 122.569 120.570 0.100 0.000 2.545 326 I HA 0.340 4.547 4.170 0.061 0.000 0.292 326 I C -0.645 175.411 176.117 -0.100 0.000 1.040 326 I CA -0.598 60.685 61.300 -0.028 0.000 1.068 326 I CB 2.193 40.094 38.000 -0.164 0.000 1.251 326 I HN 0.586 nan 8.210 nan 0.000 0.424 327 E N 4.310 124.441 120.200 -0.115 0.000 2.207 327 E HA 0.307 4.694 4.350 0.061 0.000 0.250 327 E C -1.282 175.209 176.600 -0.181 0.000 0.890 327 E CA -0.267 56.047 56.400 -0.144 0.000 0.749 327 E CB 1.443 31.118 29.700 -0.041 0.000 1.193 327 E HN 0.573 nan 8.360 nan 0.000 0.423 328 S N 4.573 120.115 115.700 -0.264 0.000 2.422 328 S HA 0.244 4.751 4.470 0.061 0.000 0.298 328 S C -0.746 173.715 174.600 -0.232 0.000 1.118 328 S CA -0.612 57.508 58.200 -0.134 0.000 1.083 328 S CB 0.297 63.426 63.200 -0.117 0.000 0.971 328 S HN 0.501 nan 8.310 nan 0.000 0.478 329 H N 5.463 124.536 119.070 0.006 0.000 2.556 329 H HA 0.314 4.907 4.556 0.061 0.000 0.310 329 H C 0.024 175.325 175.328 -0.045 0.000 1.057 329 H CA -0.687 55.350 56.048 -0.018 0.000 1.264 329 H CB 0.764 30.516 29.762 -0.017 0.000 1.404 329 H HN 0.560 nan 8.280 nan 0.000 0.462 330 R N 4.245 124.787 120.500 0.070 0.000 2.755 330 R HA 0.269 4.646 4.340 0.061 0.000 0.268 330 R C -0.395 175.982 176.300 0.129 0.000 1.295 330 R CA -0.548 55.597 56.100 0.074 0.000 1.379 330 R CB -0.159 30.193 30.300 0.087 0.000 1.170 330 R HN 0.418 nan 8.270 nan 0.000 0.584 331 L N 2.360 123.619 121.223 0.061 0.000 2.319 331 L HA 0.383 4.759 4.340 0.061 0.000 0.280 331 L C 0.938 177.808 176.870 -0.000 0.000 1.099 331 L CA -0.448 54.392 54.840 0.000 0.000 0.828 331 L CB 0.735 42.773 42.059 -0.035 0.000 1.150 331 L HN 0.309 nan 8.230 nan 0.000 0.442 332 R N 2.256 122.655 120.500 -0.168 0.000 2.340 332 R HA 0.406 4.782 4.340 0.061 0.000 0.300 332 R C -0.481 175.762 176.300 -0.096 0.000 1.069 332 R CA -0.171 55.793 56.100 -0.227 0.000 0.984 332 R CB 0.884 30.772 30.300 -0.688 0.000 1.003 332 R HN 0.806 nan 8.270 nan 0.000 0.459 333 T N 0.329 114.873 114.554 -0.017 0.000 2.906 333 T HA 0.271 4.658 4.350 0.061 0.000 0.295 333 T C -0.166 174.550 174.700 0.027 0.000 1.075 333 T CA -1.074 61.002 62.100 -0.040 0.000 1.005 333 T CB 1.459 70.255 68.868 -0.120 0.000 1.136 333 T HN 0.607 nan 8.240 nan 0.000 0.498 334 N N 1.528 120.231 118.700 0.005 0.000 3.111 334 N HA 0.303 5.080 4.740 0.061 0.000 0.302 334 N C 0.042 175.573 175.510 0.036 0.000 1.317 334 N CA -0.272 52.823 53.050 0.074 0.000 1.151 334 N CB 0.140 38.652 38.487 0.040 0.000 1.456 334 N HN 0.843 nan 8.380 nan 0.000 0.547 335 T N -3.779 110.767 114.554 -0.015 0.000 2.864 335 T HA 0.349 4.736 4.350 0.061 0.000 0.289 335 T C -0.198 174.434 174.700 -0.114 0.000 1.082 335 T CA -1.063 60.973 62.100 -0.107 0.000 1.009 335 T CB 0.978 69.508 68.868 -0.564 0.000 1.234 335 T HN -0.143 nan 8.240 nan 0.000 0.526 336 Q N 1.518 121.257 119.800 -0.101 0.000 2.368 336 Q HA 0.218 4.594 4.340 0.061 0.000 0.331 336 Q C 0.316 176.232 176.000 -0.140 0.000 1.086 336 Q CA 0.427 56.068 55.803 -0.270 0.000 1.031 336 Q CB 0.183 28.970 28.738 0.081 0.000 1.125 336 Q HN 0.704 nan 8.270 nan 0.000 0.389 337 S N 4.084 119.693 115.700 -0.151 0.000 2.465 337 S HA 0.049 4.556 4.470 0.061 0.000 0.307 337 S C -0.150 174.345 174.600 -0.176 0.000 1.187 337 S CA -0.711 57.361 58.200 -0.214 0.000 1.141 337 S CB -0.222 62.694 63.200 -0.472 0.000 1.108 337 S HN 0.472 nan 8.310 nan 0.000 0.525 338 N N 3.626 122.180 118.700 -0.242 0.000 2.454 338 N HA 0.074 4.851 4.740 0.061 0.000 0.254 338 N C 0.406 175.745 175.510 -0.285 0.000 1.228 338 N CA 0.305 53.116 53.050 -0.399 0.000 0.900 338 N CB 1.218 39.153 38.487 -0.919 0.000 1.089 338 N HN 0.669 nan 8.380 nan 0.000 0.449 339 T N -0.581 113.933 114.554 -0.066 0.000 2.572 339 T HA 0.643 5.030 4.350 0.061 0.000 0.244 339 T C -0.844 173.977 174.700 0.201 0.000 0.860 339 T CA -0.478 61.688 62.100 0.110 0.000 1.125 339 T CB 0.526 69.462 68.868 0.114 0.000 1.491 339 T HN 0.467 nan 8.240 nan 0.000 0.532 340 A N 0.802 123.774 122.820 0.253 0.000 2.388 340 A HA 0.652 5.009 4.320 0.061 0.000 0.257 340 A C -0.899 176.962 177.584 0.463 0.000 1.095 340 A CA -0.283 51.974 52.037 0.365 0.000 0.791 340 A CB -0.512 18.815 19.000 0.546 0.000 1.029 340 A HN 0.704 nan 8.150 nan 0.000 0.489 341 F N 1.460 121.550 119.950 0.233 0.000 2.604 341 F HA 0.413 4.978 4.527 0.063 0.000 0.316 341 F C 0.457 176.212 175.800 -0.075 0.000 1.136 341 F CA -1.073 57.004 58.000 0.127 0.000 0.989 341 F CB 1.266 40.161 39.000 -0.174 0.000 1.258 341 F HN 0.778 nan 8.300 nan 0.000 0.451 342 R N 3.701 124.470 120.500 0.449 0.000 3.651 342 R HA -0.005 4.371 4.340 0.061 0.000 0.201 342 R C 0.933 176.981 176.300 -0.420 0.000 0.627 342 R CA 2.071 58.187 56.100 0.027 0.000 0.952 342 R CB -0.575 29.768 30.300 0.071 0.000 1.005 342 R HN 1.148 nan 8.270 nan 0.000 0.327 343 G N 3.752 112.429 108.800 -0.204 0.000 2.424 343 G HA2 -0.320 3.676 3.960 0.061 0.000 0.207 343 G HA3 -0.320 3.676 3.960 0.061 0.000 0.207 343 G C 0.250 175.247 174.900 0.162 0.000 1.061 343 G CA -0.029 44.996 45.100 -0.124 0.000 0.657 343 G HN 0.850 nan 8.290 nan 0.000 0.508 344 F N 0.814 120.713 119.950 -0.084 0.000 2.807 344 F HA 0.093 4.657 4.527 0.061 0.000 0.297 344 F C 1.773 177.550 175.800 -0.038 0.000 1.024 344 F CA 2.363 60.362 58.000 -0.002 0.000 1.008 344 F CB -1.043 37.982 39.000 0.042 0.000 1.142 344 F HN 2.139 nan 8.300 nan 0.000 0.829 345 G N 0.221 108.913 108.800 -0.180 0.000 2.377 345 G HA2 -0.340 3.657 3.960 0.061 0.000 0.250 345 G HA3 -0.340 3.657 3.960 0.061 0.000 0.250 345 G C 1.775 176.537 174.900 -0.230 0.000 1.039 345 G CA 1.059 46.028 45.100 -0.219 0.000 0.625 345 G HN 1.693 nan 8.290 nan 0.000 0.526 346 G N 1.947 110.652 108.800 -0.159 0.000 2.553 346 G HA2 -0.062 3.935 3.960 0.061 0.000 0.218 346 G HA3 -0.062 3.935 3.960 0.061 0.000 0.218 346 G C 0.156 174.955 174.900 -0.169 0.000 1.195 346 G CA 2.124 47.050 45.100 -0.290 0.000 0.779 346 G HN 0.568 nan 8.290 nan 0.000 0.577 347 P HA -0.102 nan 4.420 nan 0.000 0.215 347 P C 1.835 179.175 177.300 0.068 0.000 1.153 347 P CA 1.543 64.675 63.100 0.054 0.000 0.853 347 P CB -0.077 31.628 31.700 0.009 0.000 0.788 348 Q N -0.532 119.198 119.800 -0.117 0.000 2.014 348 Q HA -0.127 4.250 4.340 0.061 0.000 0.207 348 Q C 2.502 178.255 176.000 -0.413 0.000 0.993 348 Q CA 2.259 57.872 55.803 -0.317 0.000 0.850 348 Q CB -1.791 26.367 28.738 -0.966 0.000 0.916 348 Q HN 0.244 nan 8.270 nan 0.000 0.417 349 G N 0.225 108.732 108.800 -0.488 0.000 2.476 349 G HA2 -0.277 3.719 3.960 0.061 0.000 0.218 349 G HA3 -0.277 3.719 3.960 0.061 0.000 0.218 349 G C 1.491 176.333 174.900 -0.096 0.000 1.164 349 G CA 1.134 46.050 45.100 -0.308 0.000 0.768 349 G HN 0.468 nan 8.290 nan 0.000 0.560 350 A N 0.125 122.949 122.820 0.007 0.000 1.930 350 A HA 0.134 4.491 4.320 0.061 0.000 0.217 350 A C 2.318 179.973 177.584 0.118 0.000 1.175 350 A CA 1.561 53.659 52.037 0.103 0.000 0.627 350 A CB -0.343 18.748 19.000 0.151 0.000 0.815 350 A HN 0.451 nan 8.150 nan 0.000 0.443 351 L N 0.104 121.395 121.223 0.114 0.000 2.201 351 L HA 0.052 4.428 4.340 0.061 0.000 0.212 351 L C 2.258 179.278 176.870 0.250 0.000 1.105 351 L CA 1.809 56.756 54.840 0.178 0.000 0.775 351 L CB -0.865 41.298 42.059 0.174 0.000 0.913 351 L HN 0.285 nan 8.230 nan 0.000 0.440 352 G N -0.513 108.394 108.800 0.178 0.000 2.421 352 G HA2 -0.340 3.657 3.960 0.061 0.000 0.216 352 G HA3 -0.340 3.657 3.960 0.061 0.000 0.216 352 G C 1.525 176.542 174.900 0.195 0.000 1.171 352 G CA 1.027 46.286 45.100 0.265 0.000 0.775 352 G HN 0.405 nan 8.290 nan 0.000 0.543 353 M N 0.619 120.256 119.600 0.062 0.000 2.175 353 M HA 0.088 4.605 4.480 0.061 0.000 0.264 353 M C 2.210 178.611 176.300 0.167 0.000 1.063 353 M CA 1.223 56.650 55.300 0.212 0.000 1.119 353 M CB -0.290 32.445 32.600 0.226 0.000 1.377 353 M HN 0.110 nan 8.290 nan 0.000 0.415 354 E N -0.277 120.024 120.200 0.168 0.000 2.106 354 E HA -0.144 4.242 4.350 0.061 0.000 0.192 354 E C 2.229 178.834 176.600 0.009 0.000 0.984 354 E CA 0.714 57.199 56.400 0.142 0.000 0.806 354 E CB -0.461 29.355 29.700 0.194 0.000 0.750 354 E HN 0.411 nan 8.360 nan 0.000 0.458 355 R N 0.823 121.278 120.500 -0.075 0.000 2.075 355 R HA 0.000 4.377 4.340 0.061 0.000 0.232 355 R C 2.135 178.217 176.300 -0.362 0.000 1.126 355 R CA 1.249 57.187 56.100 -0.270 0.000 0.963 355 R CB -0.599 29.315 30.300 -0.643 0.000 0.858 355 R HN 0.148 nan 8.270 nan 0.000 0.435 356 A N 0.927 123.420 122.820 -0.544 0.000 1.865 356 A HA -0.172 4.184 4.320 0.061 0.000 0.217 356 A C 2.340 179.783 177.584 -0.236 0.000 1.191 356 A CA 1.544 53.167 52.037 -0.690 0.000 0.623 356 A CB -0.696 18.057 19.000 -0.411 0.000 0.826 356 A HN 0.371 nan 8.150 nan 0.000 0.444 357 I N -0.857 119.619 120.570 -0.157 0.000 2.361 357 I HA -0.215 3.991 4.170 0.061 0.000 0.251 357 I C 2.360 178.422 176.117 -0.092 0.000 1.133 357 I CA 1.904 63.106 61.300 -0.163 0.000 1.413 357 I CB -0.039 37.773 38.000 -0.313 0.000 1.073 357 I HN 0.476 nan 8.210 nan 0.000 0.424 358 E N 0.198 120.368 120.200 -0.049 0.000 2.047 358 E HA -0.314 4.072 4.350 0.061 0.000 0.191 358 E C 2.246 178.902 176.600 0.093 0.000 0.987 358 E CA 1.574 57.990 56.400 0.027 0.000 0.799 358 E CB -0.294 29.397 29.700 -0.014 0.000 0.752 358 E HN 0.481 nan 8.360 nan 0.000 0.449 359 H N -0.075 118.943 119.070 -0.086 0.000 2.353 359 H HA -0.105 4.488 4.556 0.061 0.000 0.300 359 H C 2.065 177.257 175.328 -0.228 0.000 1.090 359 H CA 1.605 57.450 56.048 -0.337 0.000 1.327 359 H CB -0.470 29.043 29.762 -0.415 0.000 1.383 359 H HN 0.268 nan 8.280 nan 0.000 0.508 360 L N 0.611 121.842 121.223 0.014 0.000 2.042 360 L HA -0.114 4.263 4.340 0.061 0.000 0.210 360 L C 2.656 179.503 176.870 -0.037 0.000 1.076 360 L CA 1.946 56.759 54.840 -0.045 0.000 0.749 360 L CB -1.005 41.004 42.059 -0.083 0.000 0.893 360 L HN 0.304 nan 8.230 nan 0.000 0.432 361 A N -0.627 122.181 122.820 -0.019 0.000 1.858 361 A HA -0.191 4.166 4.320 0.061 0.000 0.216 361 A C 2.294 179.896 177.584 0.030 0.000 1.190 361 A CA 1.567 53.597 52.037 -0.012 0.000 0.617 361 A CB -0.512 18.496 19.000 0.013 0.000 0.827 361 A HN 0.413 nan 8.150 nan 0.000 0.443 362 R N -0.473 120.090 120.500 0.104 0.000 2.120 362 R HA -0.093 4.283 4.340 0.061 0.000 0.234 362 R C 2.296 178.654 176.300 0.098 0.000 1.123 362 R CA 1.176 57.363 56.100 0.146 0.000 0.975 362 R CB -1.320 29.164 30.300 0.305 0.000 0.866 362 R HN 0.546 nan 8.270 nan 0.000 0.446 363 G N 2.039 110.883 108.800 0.074 0.000 2.421 363 G HA2 -0.240 3.756 3.960 0.061 0.000 0.216 363 G HA3 -0.240 3.756 3.960 0.061 0.000 0.216 363 G C 1.435 176.355 174.900 0.033 0.000 1.171 363 G CA 0.883 46.016 45.100 0.055 0.000 0.775 363 G HN 0.434 nan 8.290 nan 0.000 0.543 364 M N -0.354 119.222 119.600 -0.040 0.000 2.493 364 M HA 0.499 5.016 4.480 0.061 0.000 0.244 364 M C 1.204 177.459 176.300 -0.075 0.000 1.182 364 M CA 0.409 55.636 55.300 -0.121 0.000 0.981 364 M CB 0.239 32.524 32.600 -0.526 0.000 1.551 364 M HN 0.268 nan 8.290 nan 0.000 0.476 365 G N 2.198 110.988 108.800 -0.017 0.000 2.305 365 G HA2 -0.289 3.708 3.960 0.061 0.000 0.287 365 G HA3 -0.289 3.708 3.960 0.061 0.000 0.287 365 G C -0.189 174.701 174.900 -0.017 0.000 1.036 365 G CA 0.492 45.592 45.100 -0.001 0.000 0.887 365 G HN 0.675 nan 8.290 nan 0.000 0.505 366 R N -0.559 119.924 120.500 -0.028 0.000 2.778 366 R HA 0.454 4.830 4.340 0.061 0.000 0.277 366 R C -0.532 175.764 176.300 -0.008 0.000 0.977 366 R CA -0.853 55.227 56.100 -0.033 0.000 0.950 366 R CB 0.893 31.150 30.300 -0.071 0.000 1.165 366 R HN 0.165 nan 8.270 nan 0.000 0.474 367 D N 3.275 123.674 120.400 -0.002 0.000 2.412 367 D HA 0.040 4.717 4.640 0.061 0.000 0.257 367 D C -1.704 174.615 176.300 0.033 0.000 1.217 367 D CA -1.598 52.415 54.000 0.021 0.000 0.897 367 D CB 1.384 42.196 40.800 0.021 0.000 1.132 367 D HN 0.204 nan 8.370 nan 0.000 0.493 368 P HA -0.140 nan 4.420 nan 0.000 0.216 368 P C 0.946 178.285 177.300 0.066 0.000 1.150 368 P CA 1.631 64.767 63.100 0.060 0.000 0.837 368 P CB 0.094 31.857 31.700 0.105 0.000 0.786 369 A N -0.205 122.692 122.820 0.128 0.000 1.969 369 A HA -0.204 4.152 4.320 0.061 0.000 0.218 369 A C 2.353 179.975 177.584 0.063 0.000 1.169 369 A CA 1.419 53.546 52.037 0.151 0.000 0.635 369 A CB -1.022 18.175 19.000 0.329 0.000 0.810 369 A HN 0.115 nan 8.150 nan 0.000 0.445 370 E N -0.401 119.824 120.200 0.042 0.000 2.076 370 E HA -0.113 4.274 4.350 0.061 0.000 0.190 370 E C 1.921 178.481 176.600 -0.066 0.000 0.979 370 E CA 0.950 57.347 56.400 -0.004 0.000 0.807 370 E CB -0.154 29.550 29.700 0.006 0.000 0.761 370 E HN 0.452 nan 8.360 nan 0.000 0.454 371 L N 1.269 122.448 121.223 -0.074 0.000 2.093 371 L HA -0.118 4.259 4.340 0.061 0.000 0.208 371 L C 2.515 179.269 176.870 -0.192 0.000 1.085 371 L CA 1.448 56.216 54.840 -0.121 0.000 0.755 371 L CB -0.168 41.823 42.059 -0.115 0.000 0.904 371 L HN -0.020 nan 8.230 nan 0.000 0.435 372 R N -1.024 119.359 120.500 -0.195 0.000 2.066 372 R HA -0.061 4.316 4.340 0.061 0.000 0.232 372 R C 2.267 178.093 176.300 -0.789 0.000 1.131 372 R CA 1.160 57.092 56.100 -0.280 0.000 0.955 372 R CB -0.617 29.681 30.300 -0.004 0.000 0.851 372 R HN 0.466 nan 8.270 nan 0.000 0.432 373 A N 1.270 123.728 122.820 -0.604 0.000 1.940 373 A HA -0.180 4.177 4.320 0.061 0.000 0.219 373 A C 2.052 179.383 177.584 -0.422 0.000 1.176 373 A CA 1.219 52.898 52.037 -0.596 0.000 0.631 373 A CB -0.433 18.483 19.000 -0.141 0.000 0.814 373 A HN 0.263 nan 8.150 nan 0.000 0.446 374 L N -0.516 120.546 121.223 -0.268 0.000 2.291 374 L HA 0.019 4.395 4.340 0.061 0.000 0.214 374 L C 1.144 177.947 176.870 -0.111 0.000 1.120 374 L CA 1.615 56.372 54.840 -0.139 0.000 0.799 374 L CB -0.259 41.742 42.059 -0.097 0.000 0.925 374 L HN 0.350 nan 8.230 nan 0.000 0.446 375 N N -1.597 117.000 118.700 -0.171 0.000 2.187 375 N HA 0.131 4.908 4.740 0.061 0.000 0.212 375 N C 0.014 175.642 175.510 0.196 0.000 1.152 375 N CA -0.092 52.959 53.050 0.002 0.000 0.872 375 N CB 0.334 38.796 38.487 -0.042 0.000 1.025 375 N HN 0.228 nan 8.380 nan 0.000 0.514 376 F N 0.650 120.711 119.950 0.185 0.000 2.532 376 F HA 0.028 4.591 4.527 0.061 0.000 0.323 376 F C 1.227 177.033 175.800 0.010 0.000 1.234 376 F CA -0.641 57.407 58.000 0.080 0.000 1.323 376 F CB 0.315 39.339 39.000 0.040 0.000 1.183 376 F HN -0.042 nan 8.300 nan 0.000 0.589 377 Y N 0.192 120.638 120.300 0.244 0.000 2.279 377 Y HA -0.023 4.564 4.550 0.061 0.000 0.350 377 Y C 0.638 176.554 175.900 0.026 0.000 1.288 377 Y CA -0.208 57.948 58.100 0.093 0.000 1.547 377 Y CB 0.142 38.608 38.460 0.012 0.000 1.381 377 Y HN 0.377 nan 8.280 nan 0.000 0.630 378 D N 1.247 121.729 120.400 0.136 0.000 2.283 378 D HA 0.239 4.915 4.640 0.061 0.000 0.248 378 D C -2.365 173.941 176.300 0.010 0.000 1.072 378 D CA -1.336 52.688 54.000 0.040 0.000 0.929 378 D CB 0.939 41.729 40.800 -0.017 0.000 1.182 378 D HN 0.191 nan 8.370 nan 0.000 0.433 379 P HA 0.181 nan 4.420 nan 0.000 0.272 379 P C -2.445 174.847 177.300 -0.013 0.000 1.230 379 P CA -0.898 62.186 63.100 -0.026 0.000 0.788 379 P CB -0.313 31.384 31.700 -0.006 0.000 0.949 380 P HA 0.031 nan 4.420 nan 0.000 0.266 380 P C -0.276 177.028 177.300 0.007 0.000 1.193 380 P CA 0.819 63.922 63.100 0.005 0.000 0.770 380 P CB 0.031 31.741 31.700 0.016 0.000 0.836 399 K N 0.966 121.361 120.400 -0.009 0.000 2.218 399 K HA 0.308 4.665 4.320 0.061 0.000 0.276 399 K C -0.693 175.893 176.600 -0.024 0.000 1.022 399 K CA -0.307 55.975 56.287 -0.008 0.000 0.946 399 K CB 0.719 33.220 32.500 0.003 0.000 1.000 399 K HN 0.559 nan 8.250 nan 0.000 0.468 400 T N 3.316 117.859 114.554 -0.017 0.000 2.901 400 T HA 0.036 4.422 4.350 0.061 0.000 0.301 400 T C 0.190 174.868 174.700 -0.037 0.000 1.012 400 T CA -0.227 61.856 62.100 -0.029 0.000 1.135 400 T CB 0.371 69.235 68.868 -0.007 0.000 0.936 400 T HN 0.379 nan 8.240 nan 0.000 0.539 401 Q N 2.048 121.791 119.800 -0.094 0.000 2.349 401 Q HA 0.222 4.599 4.340 0.061 0.000 0.287 401 Q C 0.862 176.914 176.000 0.087 0.000 1.044 401 Q CA -0.028 55.706 55.803 -0.115 0.000 0.918 401 Q CB 0.288 28.783 28.738 -0.405 0.000 1.242 401 Q HN 0.763 nan 8.270 nan 0.000 0.405 402 T N -1.561 113.118 114.554 0.208 0.000 2.944 402 T HA 0.466 4.853 4.350 0.061 0.000 0.284 402 T C 0.433 175.270 174.700 0.228 0.000 1.010 402 T CA -0.880 61.296 62.100 0.126 0.000 1.025 402 T CB 1.326 70.229 68.868 0.058 0.000 1.079 402 T HN 0.647 nan 8.240 nan 0.000 0.516 403 T N -0.972 113.516 114.554 -0.110 0.000 2.754 403 T HA 0.145 4.532 4.350 0.061 0.000 0.286 403 T C 1.537 176.114 174.700 -0.205 0.000 0.997 403 T CA -0.242 61.724 62.100 -0.223 0.000 0.982 403 T CB 0.058 68.341 68.868 -0.975 0.000 1.027 403 T HN 0.898 nan 8.240 nan 0.000 0.529 404 H N -0.090 118.972 119.070 -0.013 0.000 2.543 404 H HA -0.096 4.497 4.556 0.061 0.000 0.286 404 H C 0.956 176.362 175.328 0.130 0.000 1.037 404 H CA 1.201 57.312 56.048 0.104 0.000 1.250 404 H CB -0.677 29.221 29.762 0.226 0.000 1.373 404 H HN 0.913 nan 8.280 nan 0.000 0.580 405 Y N -1.014 119.119 120.300 -0.278 0.000 2.625 405 Y HA 0.526 5.113 4.550 0.061 0.000 0.285 405 Y C 1.282 177.101 175.900 -0.134 0.000 1.168 405 Y CA -0.761 57.200 58.100 -0.232 0.000 1.250 405 Y CB -0.038 38.190 38.460 -0.387 0.000 1.130 405 Y HN 0.179 nan 8.280 nan 0.000 0.526 406 G N 1.146 109.841 108.800 -0.175 0.000 2.298 406 G HA2 -0.305 3.692 3.960 0.061 0.000 0.287 406 G HA3 -0.305 3.692 3.960 0.061 0.000 0.287 406 G C -0.386 174.443 174.900 -0.118 0.000 1.075 406 G CA 0.336 45.382 45.100 -0.090 0.000 0.960 406 G HN 0.630 nan 8.290 nan 0.000 0.502 407 Q N -0.162 119.479 119.800 -0.265 0.000 2.310 407 Q HA 0.372 4.748 4.340 0.061 0.000 0.270 407 Q C 0.179 176.119 176.000 -0.100 0.000 1.025 407 Q CA -0.681 55.028 55.803 -0.158 0.000 0.772 407 Q CB 1.163 29.820 28.738 -0.135 0.000 1.253 407 Q HN 0.573 nan 8.270 nan 0.000 0.450 408 E N 1.442 121.631 120.200 -0.018 0.000 2.442 408 E HA 0.041 4.427 4.350 0.061 0.000 0.262 408 E C -0.747 175.868 176.600 0.025 0.000 1.004 408 E CA 0.148 56.550 56.400 0.003 0.000 0.928 408 E CB 0.953 30.666 29.700 0.021 0.000 0.937 408 E HN 0.292 nan 8.360 nan 0.000 0.446 409 V N 3.071 122.960 119.914 -0.042 0.000 2.239 409 V HA 0.195 4.351 4.120 0.061 0.000 0.267 409 V C 0.620 176.716 176.094 0.005 0.000 1.056 409 V CA -0.111 62.143 62.300 -0.076 0.000 0.830 409 V CB 0.727 32.259 31.823 -0.486 0.000 1.090 409 V HN 0.808 nan 8.190 nan 0.000 0.459 410 A N 2.808 125.675 122.820 0.079 0.000 2.218 410 A HA 0.093 4.450 4.320 0.061 0.000 0.209 410 A C 1.313 178.939 177.584 0.070 0.000 1.168 410 A CA 0.831 52.904 52.037 0.061 0.000 0.804 410 A CB -0.036 19.003 19.000 0.064 0.000 0.834 410 A HN 0.776 nan 8.150 nan 0.000 0.482 411 D N -2.106 118.366 120.400 0.120 0.000 2.513 411 D HA 0.090 4.767 4.640 0.061 0.000 0.222 411 D C 0.094 176.377 176.300 -0.028 0.000 1.210 411 D CA -0.443 53.635 54.000 0.130 0.000 0.825 411 D CB -1.444 39.519 40.800 0.272 0.000 1.037 411 D HN 0.086 nan 8.370 nan 0.000 0.506 412 C N 1.873 121.069 119.300 -0.174 0.000 2.619 412 C HA 0.314 4.811 4.460 0.061 0.000 0.389 412 C C 1.694 176.321 174.990 -0.604 0.000 1.314 412 C CA -0.184 58.460 59.018 -0.623 0.000 1.678 412 C CB -0.893 26.665 27.740 -0.304 0.000 2.398 412 C HN 0.359 nan 8.230 nan 0.000 0.582 413 V N 5.230 124.575 119.914 -0.948 0.000 3.528 413 V HA 0.178 4.334 4.120 0.061 0.000 0.294 413 V C 1.554 177.213 176.094 -0.725 0.000 1.404 413 V CA 0.556 62.473 62.300 -0.637 0.000 1.065 413 V CB -0.812 30.672 31.823 -0.565 0.000 0.904 413 V HN 0.850 nan 8.190 nan 0.000 0.435 414 L N 1.676 122.421 121.223 -0.797 0.000 2.042 414 L HA -0.022 4.354 4.340 0.061 0.000 0.210 414 L C 2.816 179.406 176.870 -0.466 0.000 1.076 414 L CA 2.100 56.489 54.840 -0.752 0.000 0.749 414 L CB -1.036 40.366 42.059 -1.095 0.000 0.893 414 L HN 0.512 nan 8.230 nan 0.000 0.432 415 G N -0.469 108.201 108.800 -0.215 0.000 2.553 415 G HA2 -0.363 3.634 3.960 0.061 0.000 0.218 415 G HA3 -0.363 3.634 3.960 0.061 0.000 0.218 415 G C 1.464 176.370 174.900 0.011 0.000 1.195 415 G CA 1.133 46.273 45.100 0.066 0.000 0.779 415 G HN 0.448 nan 8.290 nan 0.000 0.577 416 E N -0.193 119.975 120.200 -0.053 0.000 2.047 416 E HA -0.039 4.347 4.350 0.061 0.000 0.191 416 E C 2.524 179.113 176.600 -0.018 0.000 0.987 416 E CA 0.714 57.132 56.400 0.030 0.000 0.799 416 E CB -0.190 29.603 29.700 0.155 0.000 0.752 416 E HN 0.413 nan 8.360 nan 0.000 0.449 417 L N 0.514 121.525 121.223 -0.354 0.000 2.012 417 L HA -0.189 4.188 4.340 0.061 0.000 0.210 417 L C 2.351 179.128 176.870 -0.155 0.000 1.073 417 L CA 1.167 55.722 54.840 -0.475 0.000 0.748 417 L CB -0.171 41.277 42.059 -1.019 0.000 0.891 417 L HN 0.044 nan 8.230 nan 0.000 0.431 418 V N -0.215 119.616 119.914 -0.139 0.000 2.407 418 V HA -0.282 3.875 4.120 0.061 0.000 0.248 418 V C 2.524 178.636 176.094 0.030 0.000 1.055 418 V CA 2.249 64.534 62.300 -0.026 0.000 1.049 418 V CB -0.892 30.989 31.823 0.097 0.000 0.662 418 V HN 0.593 nan 8.190 nan 0.000 0.455 419 T N -0.388 114.203 114.554 0.062 0.000 2.746 419 T HA -0.238 4.149 4.350 0.061 0.000 0.267 419 T C 2.016 176.767 174.700 0.085 0.000 1.039 419 T CA 1.658 63.809 62.100 0.084 0.000 1.142 419 T CB -0.261 68.662 68.868 0.092 0.000 0.866 419 T HN 0.392 nan 8.240 nan 0.000 0.444 420 R N 0.411 120.971 120.500 0.100 0.000 2.081 420 R HA -0.030 4.347 4.340 0.061 0.000 0.235 420 R C 2.439 178.791 176.300 0.088 0.000 1.131 420 R CA 1.070 57.240 56.100 0.117 0.000 0.960 420 R CB -0.475 29.942 30.300 0.194 0.000 0.856 420 R HN 0.307 nan 8.270 nan 0.000 0.436 421 L N 1.363 122.624 121.223 0.063 0.000 2.017 421 L HA -0.211 4.165 4.340 0.061 0.000 0.208 421 L C 2.217 179.093 176.870 0.011 0.000 1.073 421 L CA 1.824 56.681 54.840 0.028 0.000 0.745 421 L CB -0.414 41.637 42.059 -0.013 0.000 0.894 421 L HN 0.243 nan 8.230 nan 0.000 0.432 422 Q N -0.631 119.168 119.800 -0.002 0.000 2.061 422 Q HA -0.227 4.149 4.340 0.061 0.000 0.204 422 Q C 2.085 178.170 176.000 0.142 0.000 0.984 422 Q CA 1.907 57.737 55.803 0.045 0.000 0.846 422 Q CB -0.157 28.637 28.738 0.094 0.000 0.902 422 Q HN 0.457 nan 8.270 nan 0.000 0.421 423 K N 0.279 120.745 120.400 0.111 0.000 2.062 423 K HA -0.063 4.294 4.320 0.061 0.000 0.205 423 K C 2.244 178.894 176.600 0.084 0.000 1.051 423 K CA 1.576 57.923 56.287 0.101 0.000 0.941 423 K CB -0.499 32.051 32.500 0.083 0.000 0.719 423 K HN 0.236 nan 8.250 nan 0.000 0.440 424 S N 0.911 116.655 115.700 0.072 0.000 2.428 424 S HA 0.057 4.563 4.470 0.061 0.000 0.230 424 S C 2.035 176.671 174.600 0.059 0.000 1.014 424 S CA 0.717 58.952 58.200 0.059 0.000 0.957 424 S CB -0.089 63.143 63.200 0.053 0.000 0.784 424 S HN 0.252 nan 8.310 nan 0.000 0.499 425 A N 1.497 124.359 122.820 0.070 0.000 2.251 425 A HA 0.317 4.674 4.320 0.061 0.000 0.209 425 A C 0.876 178.529 177.584 0.115 0.000 1.187 425 A CA 0.140 52.224 52.037 0.078 0.000 0.823 425 A CB -0.994 18.042 19.000 0.060 0.000 0.846 425 A HN 0.707 nan 8.150 nan 0.000 0.486 426 N N -2.009 116.761 118.700 0.117 0.000 2.738 426 N HA -0.227 4.550 4.740 0.061 0.000 0.249 426 N C 0.407 176.010 175.510 0.156 0.000 1.047 426 N CA 0.489 53.604 53.050 0.109 0.000 0.707 426 N CB -0.963 37.563 38.487 0.065 0.000 0.937 426 N HN 0.433 nan 8.380 nan 0.000 0.545 427 F N 0.970 120.932 119.950 0.021 0.000 2.075 427 F HA -0.123 4.440 4.527 0.061 0.000 0.297 427 F C 2.458 178.268 175.800 0.016 0.000 1.113 427 F CA 2.209 60.222 58.000 0.021 0.000 1.218 427 F CB -0.729 38.290 39.000 0.032 0.000 0.984 427 F HN 0.188 nan 8.300 nan 0.000 0.472 428 T N -0.977 113.536 114.554 -0.068 0.000 2.777 428 T HA -0.150 4.237 4.350 0.061 0.000 0.266 428 T C 1.908 176.528 174.700 -0.134 0.000 1.040 428 T CA 1.903 63.897 62.100 -0.177 0.000 1.141 428 T CB -0.795 68.044 68.868 -0.049 0.000 0.868 428 T HN 0.263 nan 8.240 nan 0.000 0.444 429 T N 1.974 116.494 114.554 -0.056 0.000 2.708 429 T HA -0.053 4.333 4.350 0.061 0.000 0.266 429 T C 2.163 176.830 174.700 -0.054 0.000 1.037 429 T CA 0.882 62.959 62.100 -0.039 0.000 1.146 429 T CB -0.176 68.689 68.868 -0.006 0.000 0.865 429 T HN 0.309 nan 8.240 nan 0.000 0.435 430 R N 0.547 121.015 120.500 -0.052 0.000 2.105 430 R HA -0.009 4.367 4.340 0.061 0.000 0.239 430 R C 2.684 178.923 176.300 -0.102 0.000 1.135 430 R CA 1.138 57.206 56.100 -0.054 0.000 0.967 430 R CB -0.233 30.062 30.300 -0.008 0.000 0.861 430 R HN 0.282 nan 8.270 nan 0.000 0.442 431 R N 0.362 120.743 120.500 -0.198 0.000 2.092 431 R HA -0.091 4.286 4.340 0.061 0.000 0.231 431 R C 2.146 178.366 176.300 -0.132 0.000 1.119 431 R CA 1.441 57.401 56.100 -0.232 0.000 0.970 431 R CB -0.140 29.896 30.300 -0.440 0.000 0.864 431 R HN 0.203 nan 8.270 nan 0.000 0.440 432 A N 0.735 123.491 122.820 -0.107 0.000 1.898 432 A HA -0.147 4.209 4.320 0.061 0.000 0.216 432 A C 1.840 179.412 177.584 -0.021 0.000 1.181 432 A CA 1.421 53.424 52.037 -0.058 0.000 0.620 432 A CB -0.363 18.608 19.000 -0.049 0.000 0.819 432 A HN 0.443 nan 8.150 nan 0.000 0.442 433 E N -0.318 119.871 120.200 -0.018 0.000 2.153 433 E HA -0.152 4.235 4.350 0.061 0.000 0.194 433 E C 1.807 178.440 176.600 0.055 0.000 0.988 433 E CA 1.109 57.520 56.400 0.018 0.000 0.811 433 E CB -0.273 29.427 29.700 -0.001 0.000 0.746 433 E HN 0.696 nan 8.360 nan 0.000 0.466 434 I N 0.989 121.566 120.570 0.012 0.000 2.252 434 I HA -0.258 3.949 4.170 0.061 0.000 0.245 434 I C 2.548 178.730 176.117 0.108 0.000 1.102 434 I CA 0.816 62.140 61.300 0.040 0.000 1.385 434 I CB -0.273 37.706 38.000 -0.035 0.000 1.064 434 I HN 0.086 nan 8.210 nan 0.000 0.414 435 A N 0.847 123.693 122.820 0.043 0.000 1.873 435 A HA -0.264 4.092 4.320 0.061 0.000 0.218 435 A C 2.539 180.157 177.584 0.056 0.000 1.193 435 A CA 2.211 54.268 52.037 0.034 0.000 0.629 435 A CB -1.020 17.978 19.000 -0.003 0.000 0.826 435 A HN 0.448 nan 8.150 nan 0.000 0.447 436 A N -1.827 121.031 122.820 0.064 0.000 1.883 436 A HA -0.211 4.145 4.320 0.061 0.000 0.217 436 A C 2.039 179.679 177.584 0.092 0.000 1.186 436 A CA 1.653 53.725 52.037 0.060 0.000 0.624 436 A CB -1.056 17.979 19.000 0.057 0.000 0.822 436 A HN 0.852 nan 8.150 nan 0.000 0.444 437 W N 1.222 122.502 121.300 -0.033 0.000 2.350 437 W HA -0.176 4.521 4.660 0.061 0.000 0.289 437 W C 1.715 178.214 176.519 -0.034 0.000 1.215 437 W CA 1.851 59.178 57.345 -0.030 0.000 1.236 437 W CB -0.082 29.361 29.460 -0.029 0.000 1.130 437 W HN 0.356 nan 8.180 nan 0.000 0.541 438 N N -0.318 118.520 118.700 0.229 0.000 2.331 438 N HA -0.130 4.646 4.740 0.061 0.000 0.180 438 N C 1.743 177.217 175.510 -0.061 0.000 1.019 438 N CA 1.730 54.838 53.050 0.098 0.000 0.881 438 N CB -0.744 37.816 38.487 0.123 0.000 0.972 438 N HN 0.226 nan 8.380 nan 0.000 0.435 439 S N -1.657 114.007 115.700 -0.060 0.000 2.593 439 S HA 0.095 4.602 4.470 0.061 0.000 0.217 439 S C 1.320 175.841 174.600 -0.131 0.000 0.966 439 S CA 0.346 58.497 58.200 -0.082 0.000 0.914 439 S CB 0.009 63.179 63.200 -0.049 0.000 0.776 439 S HN 0.107 nan 8.310 nan 0.000 0.523 440 T N 1.299 115.722 114.554 -0.218 0.000 2.990 440 T HA 0.266 4.653 4.350 0.061 0.000 0.250 440 T C 0.174 174.664 174.700 -0.350 0.000 1.041 440 T CA -0.101 61.837 62.100 -0.270 0.000 1.010 440 T CB -0.105 68.575 68.868 -0.314 0.000 1.003 440 T HN 0.439 nan 8.240 nan 0.000 0.499 441 N N 1.027 119.465 118.700 -0.436 0.000 2.432 441 N HA 0.547 5.323 4.740 0.061 0.000 0.292 441 N C 0.730 176.105 175.510 -0.226 0.000 1.193 441 N CA -0.899 51.906 53.050 -0.408 0.000 0.878 441 N CB 1.386 39.465 38.487 -0.680 0.000 1.252 441 N HN 0.169 nan 8.380 nan 0.000 0.520 442 R N -1.538 118.865 120.500 -0.161 0.000 2.526 442 R HA 0.247 4.624 4.340 0.061 0.000 0.346 442 R C -0.345 175.914 176.300 -0.068 0.000 0.926 442 R CA -0.107 55.934 56.100 -0.099 0.000 1.147 442 R CB 0.028 30.277 30.300 -0.085 0.000 1.629 442 R HN 0.401 nan 8.270 nan 0.000 0.516 443 T N 0.576 115.089 114.554 -0.068 0.000 2.955 443 T HA 0.393 4.779 4.350 0.061 0.000 0.251 443 T C 0.235 174.933 174.700 -0.004 0.000 1.002 443 T CA 0.128 62.207 62.100 -0.034 0.000 0.970 443 T CB 0.402 69.251 68.868 -0.032 0.000 1.091 443 T HN -0.004 nan 8.240 nan 0.000 0.495 444 L N 1.071 122.295 121.223 0.002 0.000 2.354 444 L HA 0.865 5.242 4.340 0.061 0.000 0.269 444 L C -0.880 176.101 176.870 0.185 0.000 1.005 444 L CA -1.221 53.690 54.840 0.118 0.000 0.819 444 L CB 2.018 44.229 42.059 0.253 0.000 1.311 444 L HN 0.039 nan 8.230 nan 0.000 0.423 445 A N 2.396 125.362 122.820 0.243 0.000 2.486 445 A HA 0.763 5.119 4.320 0.061 0.000 0.300 445 A C -1.082 176.611 177.584 0.182 0.000 1.048 445 A CA -0.705 51.480 52.037 0.246 0.000 0.696 445 A CB 1.722 20.769 19.000 0.078 0.000 1.278 445 A HN 0.718 nan 8.150 nan 0.000 0.405 446 R N 0.496 121.092 120.500 0.159 0.000 2.540 446 R HA 0.649 5.025 4.340 0.061 0.000 0.287 446 R C -0.004 176.273 176.300 -0.039 0.000 0.980 446 R CA -0.342 55.732 56.100 -0.043 0.000 0.966 446 R CB 2.154 32.334 30.300 -0.201 0.000 1.106 446 R HN 0.868 nan 8.270 nan 0.000 0.480 447 G N 1.987 110.747 108.800 -0.068 0.000 2.617 447 G HA2 0.613 4.610 3.960 0.061 0.000 0.306 447 G HA3 0.613 4.610 3.960 0.061 0.000 0.306 447 G C -1.393 173.489 174.900 -0.031 0.000 1.360 447 G CA -0.461 44.604 45.100 -0.059 0.000 0.983 447 G HN 0.499 nan 8.290 nan 0.000 0.496 448 I N 0.942 121.516 120.570 0.006 0.000 2.647 448 I HA 0.805 5.011 4.170 0.061 0.000 0.295 448 I C -0.591 175.620 176.117 0.158 0.000 1.078 448 I CA -0.906 60.445 61.300 0.086 0.000 1.048 448 I CB 2.177 40.241 38.000 0.107 0.000 1.239 448 I HN 0.791 nan 8.210 nan 0.000 0.421 449 A N 6.696 129.638 122.820 0.203 0.000 2.589 449 A HA 0.638 4.995 4.320 0.061 0.000 0.296 449 A C -2.169 175.495 177.584 0.134 0.000 1.062 449 A CA -0.519 51.644 52.037 0.211 0.000 0.686 449 A CB 1.681 20.768 19.000 0.145 0.000 1.282 449 A HN 0.749 nan 8.150 nan 0.000 0.404 450 L N 2.025 123.296 121.223 0.081 0.000 2.313 450 L HA 0.841 5.217 4.340 0.061 0.000 0.283 450 L C -0.111 176.805 176.870 0.078 0.000 1.013 450 L CA 0.017 54.830 54.840 -0.045 0.000 0.816 450 L CB 1.816 43.690 42.059 -0.309 0.000 1.236 450 L HN 0.958 nan 8.230 nan 0.000 0.419 451 S N 5.158 120.917 115.700 0.098 0.000 2.500 451 S HA 0.831 5.338 4.470 0.061 0.000 0.301 451 S C -2.965 171.720 174.600 0.141 0.000 1.092 451 S CA -1.270 57.024 58.200 0.157 0.000 1.030 451 S CB 1.934 65.233 63.200 0.165 0.000 1.031 451 S HN 0.553 nan 8.310 nan 0.000 0.483 452 P HA 0.619 nan 4.420 nan 0.000 0.289 452 P C -1.221 176.124 177.300 0.074 0.000 1.293 452 P CA -0.869 62.276 63.100 0.075 0.000 0.897 452 P CB 1.599 33.308 31.700 0.014 0.000 1.166 453 V N 1.568 121.513 119.914 0.051 0.000 2.555 453 V HA 0.532 4.689 4.120 0.061 0.000 0.302 453 V C 0.115 176.219 176.094 0.017 0.000 1.038 453 V CA -0.481 61.870 62.300 0.084 0.000 0.887 453 V CB 1.699 33.615 31.823 0.154 0.000 0.991 453 V HN 0.578 nan 8.190 nan 0.000 0.434 454 K N 4.005 124.409 120.400 0.007 0.000 2.640 454 K HA 0.509 4.865 4.320 0.061 0.000 0.245 454 K C -2.165 174.454 176.600 0.032 0.000 0.962 454 K CA -0.424 55.752 56.287 -0.185 0.000 0.896 454 K CB 1.300 33.684 32.500 -0.194 0.000 1.147 454 K HN 0.566 nan 8.250 nan 0.000 0.445 455 F N 2.737 122.599 119.950 -0.147 0.000 2.477 455 F HA 0.496 5.059 4.527 0.061 0.000 0.335 455 F C 0.289 176.004 175.800 -0.141 0.000 1.130 455 F CA -0.388 57.602 58.000 -0.016 0.000 0.948 455 F CB 1.655 40.594 39.000 -0.102 0.000 1.154 455 F HN 0.641 nan 8.300 nan 0.000 0.439 456 G N 6.385 114.849 108.800 -0.560 0.000 2.403 456 G HA2 0.433 4.430 3.960 0.061 0.000 0.259 456 G HA3 0.433 4.430 3.960 0.061 0.000 0.259 456 G C -0.855 173.310 174.900 -1.224 0.000 1.244 456 G CA -0.419 43.850 45.100 -1.385 0.000 0.849 456 G HN 0.468 nan 8.290 nan 0.000 0.532 457 I N 1.084 121.108 120.570 -0.910 0.000 2.378 457 I HA 0.586 4.793 4.170 0.061 0.000 0.291 457 I C 0.224 176.155 176.117 -0.310 0.000 0.992 457 I CA -0.327 60.614 61.300 -0.598 0.000 1.154 457 I CB 0.611 38.061 38.000 -0.915 0.000 1.315 457 I HN 0.520 nan 8.210 nan 0.000 0.448 458 S N 4.606 120.197 115.700 -0.182 0.000 2.998 458 S HA 0.083 4.590 4.470 0.061 0.000 0.237 458 S C -0.760 173.810 174.600 -0.050 0.000 0.615 458 S CA -0.932 57.230 58.200 -0.063 0.000 0.917 458 S CB -0.146 63.071 63.200 0.028 0.000 1.140 458 S HN 0.319 nan 8.310 nan 0.000 0.604 459 F N 2.774 122.703 119.950 -0.034 0.000 2.571 459 F HA 0.057 4.620 4.527 0.060 0.000 0.390 459 F C 2.332 178.133 175.800 0.002 0.000 1.043 459 F CA 0.992 58.959 58.000 -0.054 0.000 1.164 459 F CB 0.525 39.466 39.000 -0.097 0.000 1.049 459 F HN 0.804 nan 8.300 nan 0.000 0.552 460 T N 1.128 115.807 114.554 0.208 0.000 2.946 460 T HA -0.128 4.259 4.350 0.061 0.000 0.271 460 T C 0.770 175.751 174.700 0.468 0.000 1.104 460 T CA 0.467 62.706 62.100 0.231 0.000 1.114 460 T CB -0.019 69.011 68.868 0.270 0.000 0.867 460 T HN 0.232 nan 8.240 nan 0.000 0.513 461 L N 2.822 124.225 121.223 0.299 0.000 2.270 461 L HA 0.361 4.737 4.340 0.061 0.000 0.286 461 L C 1.100 177.976 176.870 0.010 0.000 1.059 461 L CA 0.266 55.190 54.840 0.140 0.000 0.839 461 L CB 0.296 42.364 42.059 0.015 0.000 1.221 461 L HN 0.241 nan 8.230 nan 0.000 0.431 462 T N 2.462 117.072 114.554 0.093 0.000 2.904 462 T HA -0.115 4.271 4.350 0.061 0.000 0.267 462 T C 1.674 176.389 174.700 0.025 0.000 1.059 462 T CA 1.340 63.501 62.100 0.101 0.000 1.137 462 T CB -0.160 68.810 68.868 0.169 0.000 0.879 462 T HN 0.665 nan 8.240 nan 0.000 0.467 463 H N 1.050 120.137 119.070 0.029 0.000 2.524 463 H HA 0.153 4.746 4.556 0.060 0.000 0.282 463 H C 1.910 177.212 175.328 -0.043 0.000 1.016 463 H CA 0.516 56.566 56.048 0.003 0.000 1.270 463 H CB -0.669 29.093 29.762 0.001 0.000 1.394 463 H HN 0.335 nan 8.280 nan 0.000 0.568 464 L N 1.013 121.933 121.223 -0.505 0.000 2.376 464 L HA -0.070 4.307 4.340 0.061 0.000 0.219 464 L C 0.934 177.606 176.870 -0.331 0.000 1.133 464 L CA 0.327 54.818 54.840 -0.583 0.000 0.816 464 L CB -0.365 41.004 42.059 -1.150 0.000 0.933 464 L HN 0.215 nan 8.230 nan 0.000 0.449 465 N N 2.570 121.245 118.700 -0.042 0.000 3.167 465 N HA -0.006 4.771 4.740 0.061 0.000 0.318 465 N C -0.342 175.180 175.510 0.021 0.000 1.268 465 N CA 0.239 53.363 53.050 0.124 0.000 1.197 465 N CB 0.028 38.600 38.487 0.141 0.000 1.464 465 N HN 0.563 nan 8.380 nan 0.000 0.555 466 Q N -0.836 118.952 119.800 -0.020 0.000 2.389 466 Q HA 0.816 5.192 4.340 0.061 0.000 0.277 466 Q C -1.714 174.215 176.000 -0.119 0.000 1.082 466 Q CA -1.190 54.528 55.803 -0.141 0.000 0.810 466 Q CB 2.254 30.960 28.738 -0.053 0.000 1.374 466 Q HN 0.057 nan 8.270 nan 0.000 0.422 467 A N 0.794 123.456 122.820 -0.262 0.000 2.587 467 A HA 0.988 5.344 4.320 0.061 0.000 0.293 467 A C -0.900 176.610 177.584 -0.124 0.000 1.087 467 A CA -0.269 51.708 52.037 -0.100 0.000 0.692 467 A CB 2.066 21.058 19.000 -0.013 0.000 1.291 467 A HN 0.963 nan 8.150 nan 0.000 0.407 468 G N -0.970 107.867 108.800 0.062 0.000 2.659 468 G HA2 0.847 4.843 3.960 0.061 0.000 0.296 468 G HA3 0.847 4.843 3.960 0.061 0.000 0.296 468 G C -0.790 174.198 174.900 0.147 0.000 1.369 468 G CA 0.149 45.346 45.100 0.161 0.000 0.937 468 G HN 1.872 nan 8.290 nan 0.000 0.485 469 A N -0.101 122.804 122.820 0.143 0.000 2.515 469 A HA 0.865 5.222 4.320 0.061 0.000 0.296 469 A C -1.802 175.840 177.584 0.096 0.000 1.094 469 A CA -0.701 51.413 52.037 0.127 0.000 0.718 469 A CB 2.158 21.222 19.000 0.106 0.000 1.307 469 A HN 1.701 nan 8.150 nan 0.000 0.408 470 L N 1.445 122.711 121.223 0.073 0.000 2.441 470 L HA 0.685 5.062 4.340 0.061 0.000 0.270 470 L C -1.518 175.365 176.870 0.022 0.000 0.973 470 L CA -0.248 54.617 54.840 0.042 0.000 0.842 470 L CB 1.745 43.824 42.059 0.033 0.000 1.239 470 L HN 0.481 nan 8.230 nan 0.000 0.406 471 V N 4.399 124.316 119.914 0.005 0.000 2.581 471 V HA 0.652 4.808 4.120 0.061 0.000 0.303 471 V C -0.559 175.497 176.094 -0.063 0.000 1.041 471 V CA -0.607 61.683 62.300 -0.017 0.000 0.907 471 V CB 1.754 33.572 31.823 -0.008 0.000 0.994 471 V HN 0.720 nan 8.190 nan 0.000 0.442 472 Q N 4.244 123.977 119.800 -0.112 0.000 2.337 472 Q HA 0.638 5.014 4.340 0.061 0.000 0.270 472 Q C -1.236 174.570 176.000 -0.324 0.000 1.043 472 Q CA -0.426 55.220 55.803 -0.261 0.000 0.794 472 Q CB 3.132 31.651 28.738 -0.366 0.000 1.281 472 Q HN 0.668 nan 8.270 nan 0.000 0.446 473 I N 2.363 122.730 120.570 -0.339 0.000 2.389 473 I HA 0.376 4.582 4.170 0.061 0.000 0.288 473 I C -0.709 175.206 176.117 -0.337 0.000 0.999 473 I CA -0.898 60.267 61.300 -0.226 0.000 1.129 473 I CB 0.900 38.888 38.000 -0.021 0.000 1.288 473 I HN 0.474 nan 8.210 nan 0.000 0.444 474 Y N 2.377 122.687 120.300 0.016 0.000 2.432 474 Y HA 0.166 4.752 4.550 0.060 0.000 0.322 474 Y C 1.954 177.822 175.900 -0.053 0.000 1.246 474 Y CA -0.530 57.551 58.100 -0.031 0.000 1.268 474 Y CB 1.119 39.558 38.460 -0.034 0.000 1.276 474 Y HN 0.649 nan 8.280 nan 0.000 0.499 475 T N -3.466 111.115 114.554 0.044 0.000 3.007 475 T HA -0.172 4.215 4.350 0.061 0.000 0.270 475 T C 1.018 175.706 174.700 -0.020 0.000 1.107 475 T CA 1.308 63.356 62.100 -0.085 0.000 1.118 475 T CB -0.302 68.382 68.868 -0.307 0.000 0.889 475 T HN 0.772 nan 8.240 nan 0.000 0.506 476 D N 1.271 121.691 120.400 0.034 0.000 2.323 476 D HA 0.148 4.825 4.640 0.061 0.000 0.209 476 D C 1.721 178.080 176.300 0.098 0.000 0.973 476 D CA 0.854 54.882 54.000 0.046 0.000 0.874 476 D CB -0.752 40.066 40.800 0.030 0.000 0.930 476 D HN 0.627 nan 8.370 nan 0.000 0.521 477 G N 0.072 108.957 108.800 0.143 0.000 2.179 477 G HA2 -0.220 3.777 3.960 0.061 0.000 0.220 477 G HA3 -0.220 3.777 3.960 0.061 0.000 0.220 477 G C 0.262 175.317 174.900 0.259 0.000 0.990 477 G CA 0.271 45.515 45.100 0.239 0.000 0.646 477 G HN 0.760 nan 8.290 nan 0.000 0.517 478 S N -0.808 115.014 115.700 0.203 0.000 2.632 478 S HA 0.789 5.295 4.470 0.061 0.000 0.271 478 S C -0.031 174.697 174.600 0.214 0.000 1.260 478 S CA -0.476 57.831 58.200 0.179 0.000 1.010 478 S CB 2.840 66.123 63.200 0.138 0.000 0.965 478 S HN 0.970 nan 8.310 nan 0.000 0.534 479 V N 1.090 121.087 119.914 0.139 0.000 2.604 479 V HA 0.740 4.897 4.120 0.061 0.000 0.305 479 V C -0.067 176.083 176.094 0.094 0.000 1.043 479 V CA -0.663 61.688 62.300 0.084 0.000 0.888 479 V CB 1.609 33.447 31.823 0.025 0.000 0.995 479 V HN 1.183 nan 8.190 nan 0.000 0.429 480 A N 5.347 128.211 122.820 0.074 0.000 2.316 480 A HA 0.744 5.101 4.320 0.061 0.000 0.324 480 A C -0.953 176.642 177.584 0.018 0.000 1.375 480 A CA -0.370 51.718 52.037 0.086 0.000 0.882 480 A CB 0.560 19.682 19.000 0.203 0.000 1.152 480 A HN 0.796 nan 8.150 nan 0.000 0.512 481 L N 2.936 124.163 121.223 0.007 0.000 2.289 481 L HA 0.566 4.943 4.340 0.061 0.000 0.285 481 L C -0.442 176.424 176.870 -0.006 0.000 1.049 481 L CA -0.064 54.784 54.840 0.013 0.000 0.804 481 L CB 1.052 43.128 42.059 0.029 0.000 1.195 481 L HN 0.680 nan 8.230 nan 0.000 0.428 482 N N 2.670 121.380 118.700 0.016 0.000 2.310 482 N HA 0.449 5.225 4.740 0.061 0.000 0.292 482 N C -1.531 174.008 175.510 0.048 0.000 1.049 482 N CA -0.358 52.669 53.050 -0.038 0.000 0.849 482 N CB 1.494 39.959 38.487 -0.035 0.000 1.532 482 N HN 0.962 nan 8.380 nan 0.000 0.479 483 H N -0.861 118.225 119.070 0.027 0.000 2.943 483 H HA 0.504 5.100 4.556 0.066 0.000 0.323 483 H C 0.863 176.229 175.328 0.062 0.000 1.296 483 H CA -0.727 55.350 56.048 0.047 0.000 1.155 483 H CB 0.551 30.342 29.762 0.047 0.000 1.882 483 H HN 0.383 nan 8.280 nan 0.000 0.553 484 G N -0.466 108.463 108.800 0.216 0.000 2.511 484 G HA2 0.132 4.128 3.960 0.061 0.000 0.217 484 G HA3 0.132 4.128 3.960 0.061 0.000 0.217 484 G C 0.775 175.759 174.900 0.140 0.000 1.133 484 G CA 0.146 45.324 45.100 0.129 0.000 0.792 484 G HN 0.871 nan 8.290 nan 0.000 0.539 485 G N 0.332 109.343 108.800 0.351 0.000 2.491 485 G HA2 0.411 4.408 3.960 0.061 0.000 0.242 485 G HA3 0.411 4.408 3.960 0.061 0.000 0.242 485 G C 0.211 175.184 174.900 0.122 0.000 1.266 485 G CA 0.499 45.749 45.100 0.251 0.000 0.844 485 G HN 0.412 nan 8.290 nan 0.000 0.571 486 T N -0.849 113.714 114.554 0.016 0.000 2.824 486 T HA 0.495 4.881 4.350 0.061 0.000 0.280 486 T C -0.237 174.375 174.700 -0.146 0.000 0.995 486 T CA -0.814 61.258 62.100 -0.048 0.000 1.009 486 T CB 2.123 70.969 68.868 -0.035 0.000 0.955 486 T HN 0.436 nan 8.240 nan 0.000 0.452 487 E N 3.424 123.483 120.200 -0.236 0.000 2.105 487 E HA 0.304 4.691 4.350 0.061 0.000 0.285 487 E C 0.690 177.240 176.600 -0.083 0.000 1.055 487 E CA -0.521 55.726 56.400 -0.256 0.000 0.843 487 E CB 0.513 30.000 29.700 -0.356 0.000 1.067 487 E HN 0.783 nan 8.360 nan 0.000 0.398 488 M N 2.289 121.837 119.600 -0.088 0.000 2.347 488 M HA 0.462 4.978 4.480 0.061 0.000 0.302 488 M C 0.853 177.100 176.300 -0.089 0.000 1.051 488 M CA 0.283 55.523 55.300 -0.101 0.000 0.988 488 M CB 0.785 33.269 32.600 -0.195 0.000 1.475 488 M HN 0.544 nan 8.290 nan 0.000 0.530 489 G N 1.759 110.568 108.800 0.014 0.000 2.229 489 G HA2 -0.233 3.763 3.960 0.061 0.000 0.189 489 G HA3 -0.233 3.763 3.960 0.061 0.000 0.189 489 G C 0.766 175.730 174.900 0.105 0.000 1.000 489 G CA 0.269 45.407 45.100 0.062 0.000 0.663 489 G HN 0.599 nan 8.290 nan 0.000 0.493 490 Q N 1.580 121.396 119.800 0.027 0.000 2.515 490 Q HA 0.278 4.654 4.340 0.061 0.000 0.212 490 Q C 1.583 177.607 176.000 0.040 0.000 0.970 490 Q CA 1.358 57.167 55.803 0.010 0.000 0.941 490 Q CB -0.554 28.151 28.738 -0.055 0.000 0.998 490 Q HN 1.902 nan 8.270 nan 0.000 0.518 491 G N 1.740 110.599 108.800 0.097 0.000 2.176 491 G HA2 -0.306 3.691 3.960 0.061 0.000 0.252 491 G HA3 -0.306 3.691 3.960 0.061 0.000 0.252 491 G C 0.354 175.179 174.900 -0.126 0.000 1.024 491 G CA 0.438 45.507 45.100 -0.053 0.000 0.755 491 G HN 0.437 nan 8.290 nan 0.000 0.507 492 L N -0.207 120.943 121.223 -0.121 0.000 2.056 492 L HA 0.070 4.447 4.340 0.061 0.000 0.207 492 L C 2.502 179.350 176.870 -0.036 0.000 1.078 492 L CA 2.749 57.525 54.840 -0.106 0.000 0.749 492 L CB -0.433 41.553 42.059 -0.122 0.000 0.901 492 L HN 0.387 nan 8.230 nan 0.000 0.433 493 H N -0.232 118.816 119.070 -0.037 0.000 2.353 493 H HA 0.031 4.623 4.556 0.060 0.000 0.300 493 H C 2.208 177.491 175.328 -0.075 0.000 1.090 493 H CA 1.205 57.258 56.048 0.008 0.000 1.327 493 H CB -0.671 29.087 29.762 -0.008 0.000 1.383 493 H HN 0.488 nan 8.280 nan 0.000 0.508 494 A N 1.419 124.208 122.820 -0.052 0.000 1.883 494 A HA -0.209 4.148 4.320 0.061 0.000 0.217 494 A C 2.361 179.911 177.584 -0.058 0.000 1.186 494 A CA 1.823 53.810 52.037 -0.084 0.000 0.624 494 A CB -0.344 18.568 19.000 -0.147 0.000 0.822 494 A HN 0.355 nan 8.150 nan 0.000 0.444 495 K N -1.103 119.260 120.400 -0.063 0.000 2.063 495 K HA -0.126 4.231 4.320 0.061 0.000 0.208 495 K C 2.097 178.659 176.600 -0.063 0.000 1.048 495 K CA 1.587 57.836 56.287 -0.064 0.000 0.928 495 K CB -0.283 32.177 32.500 -0.066 0.000 0.713 495 K HN 0.371 nan 8.250 nan 0.000 0.442 496 M N 0.513 120.077 119.600 -0.061 0.000 2.159 496 M HA -0.119 4.397 4.480 0.061 0.000 0.263 496 M C 2.325 178.606 176.300 -0.031 0.000 1.063 496 M CA 1.247 56.496 55.300 -0.084 0.000 1.110 496 M CB -0.833 31.663 32.600 -0.174 0.000 1.374 496 M HN -0.057 nan 8.290 nan 0.000 0.411 497 V N 0.571 120.478 119.914 -0.012 0.000 2.255 497 V HA -0.301 3.855 4.120 0.061 0.000 0.247 497 V C 2.445 178.512 176.094 -0.046 0.000 1.051 497 V CA 1.785 64.070 62.300 -0.024 0.000 1.018 497 V CB -0.833 30.974 31.823 -0.027 0.000 0.641 497 V HN 0.511 nan 8.190 nan 0.000 0.445 498 Q N -0.735 119.029 119.800 -0.060 0.000 2.152 498 Q HA -0.205 4.171 4.340 0.061 0.000 0.206 498 Q C 2.277 178.217 176.000 -0.099 0.000 0.985 498 Q CA 1.971 57.721 55.803 -0.088 0.000 0.863 498 Q CB -0.326 28.349 28.738 -0.105 0.000 0.904 498 Q HN 0.569 nan 8.270 nan 0.000 0.422 499 V N 0.538 120.417 119.914 -0.058 0.000 2.323 499 V HA -0.249 3.907 4.120 0.061 0.000 0.244 499 V C 2.248 178.361 176.094 0.032 0.000 1.041 499 V CA 1.720 64.032 62.300 0.019 0.000 1.025 499 V CB -0.983 30.887 31.823 0.078 0.000 0.656 499 V HN 0.406 nan 8.190 nan 0.000 0.451 500 A N 0.204 123.023 122.820 -0.003 0.000 1.883 500 A HA -0.197 4.160 4.320 0.061 0.000 0.217 500 A C 2.423 179.982 177.584 -0.041 0.000 1.186 500 A CA 2.391 54.420 52.037 -0.014 0.000 0.624 500 A CB -0.924 18.065 19.000 -0.019 0.000 0.822 500 A HN 0.590 nan 8.150 nan 0.000 0.444 501 A N -0.367 122.417 122.820 -0.060 0.000 1.933 501 A HA 0.155 4.512 4.320 0.061 0.000 0.218 501 A C 2.491 180.029 177.584 -0.076 0.000 1.175 501 A CA 2.154 54.139 52.037 -0.088 0.000 0.628 501 A CB -0.960 17.988 19.000 -0.086 0.000 0.814 501 A HN 1.059 nan 8.150 nan 0.000 0.444 502 A N -0.540 122.245 122.820 -0.059 0.000 1.855 502 A HA -0.007 4.349 4.320 0.061 0.000 0.215 502 A C 2.141 179.749 177.584 0.040 0.000 1.191 502 A CA 1.772 53.789 52.037 -0.034 0.000 0.613 502 A CB -0.986 17.949 19.000 -0.110 0.000 0.829 502 A HN 0.459 nan 8.150 nan 0.000 0.442 503 V N -0.201 119.753 119.914 0.067 0.000 2.759 503 V HA -0.146 4.010 4.120 0.061 0.000 0.256 503 V C 2.104 178.189 176.094 -0.015 0.000 1.080 503 V CA 1.580 63.916 62.300 0.060 0.000 1.101 503 V CB -0.599 31.256 31.823 0.052 0.000 0.698 503 V HN 0.515 nan 8.190 nan 0.000 0.477 504 L N -0.145 121.043 121.223 -0.057 0.000 2.590 504 L HA 0.394 4.770 4.340 0.061 0.000 0.227 504 L C 1.620 178.440 176.870 -0.082 0.000 1.099 504 L CA 0.702 55.467 54.840 -0.125 0.000 0.872 504 L CB -0.075 41.861 42.059 -0.204 0.000 1.088 504 L HN 0.472 nan 8.230 nan 0.000 0.479 505 G N 2.139 110.923 108.800 -0.027 0.000 2.246 505 G HA2 -0.273 3.724 3.960 0.061 0.000 0.273 505 G HA3 -0.273 3.724 3.960 0.061 0.000 0.273 505 G C 0.060 174.925 174.900 -0.058 0.000 1.055 505 G CA 0.673 45.794 45.100 0.033 0.000 0.851 505 G HN 0.467 nan 8.290 nan 0.000 0.500 506 I N -3.823 116.643 120.570 -0.172 0.000 3.002 506 I HA 0.741 4.948 4.170 0.061 0.000 0.310 506 I C -0.212 175.827 176.117 -0.129 0.000 1.087 506 I CA -1.638 59.532 61.300 -0.217 0.000 1.017 506 I CB 1.817 39.545 38.000 -0.454 0.000 1.226 506 I HN -0.055 nan 8.210 nan 0.000 0.443 507 D N 4.591 124.936 120.400 -0.092 0.000 2.458 507 D HA 0.159 4.836 4.640 0.061 0.000 0.243 507 D C -1.547 174.711 176.300 -0.070 0.000 1.146 507 D CA -1.928 52.034 54.000 -0.063 0.000 0.877 507 D CB 1.281 42.059 40.800 -0.037 0.000 1.176 507 D HN 0.319 nan 8.370 nan 0.000 0.461 508 P HA -0.194 nan 4.420 nan 0.000 0.218 508 P C 1.449 178.722 177.300 -0.044 0.000 1.150 508 P CA 0.759 63.825 63.100 -0.057 0.000 0.841 508 P CB 0.116 31.785 31.700 -0.053 0.000 0.784 509 V N -0.018 119.875 119.914 -0.036 0.000 2.688 509 V HA -0.214 3.943 4.120 0.061 0.000 0.256 509 V C 2.510 178.592 176.094 -0.020 0.000 1.084 509 V CA 1.536 63.821 62.300 -0.025 0.000 1.103 509 V CB -1.255 30.558 31.823 -0.018 0.000 0.688 509 V HN 0.177 nan 8.190 nan 0.000 0.480 510 Q N -0.095 119.688 119.800 -0.028 0.000 2.378 510 Q HA 0.066 4.442 4.340 0.061 0.000 0.205 510 Q C 0.676 176.670 176.000 -0.010 0.000 0.954 510 Q CA 0.540 56.332 55.803 -0.017 0.000 0.901 510 Q CB 0.206 28.916 28.738 -0.047 0.000 0.981 510 Q HN 0.557 nan 8.270 nan 0.000 0.483 511 V N 1.881 121.780 119.914 -0.026 0.000 2.407 511 V HA 0.299 4.455 4.120 0.061 0.000 0.278 511 V C -0.016 176.069 176.094 -0.014 0.000 1.037 511 V CA -0.672 61.616 62.300 -0.018 0.000 0.900 511 V CB 1.431 33.233 31.823 -0.035 0.000 0.983 511 V HN 0.042 nan 8.190 nan 0.000 0.459 512 R N 4.284 124.783 120.500 -0.001 0.000 2.393 512 R HA 0.590 4.967 4.340 0.061 0.000 0.315 512 R C -0.968 175.308 176.300 -0.040 0.000 0.952 512 R CA -0.559 55.532 56.100 -0.016 0.000 0.842 512 R CB 1.294 31.596 30.300 0.002 0.000 1.163 512 R HN 0.687 nan 8.270 nan 0.000 0.450 513 I N 4.141 124.658 120.570 -0.089 0.000 2.441 513 I HA 0.264 4.471 4.170 0.061 0.000 0.287 513 I C -0.246 175.755 176.117 -0.192 0.000 1.049 513 I CA 0.562 61.753 61.300 -0.182 0.000 1.381 513 I CB 1.201 39.000 38.000 -0.335 0.000 1.409 513 I HN 0.889 nan 8.210 nan 0.000 0.523 514 T N 4.582 119.021 114.554 -0.191 0.000 2.944 514 T HA 0.816 5.203 4.350 0.061 0.000 0.284 514 T C 0.162 174.749 174.700 -0.189 0.000 1.010 514 T CA -0.641 61.374 62.100 -0.142 0.000 1.025 514 T CB 1.187 70.013 68.868 -0.071 0.000 1.079 514 T HN 0.852 nan 8.240 nan 0.000 0.516 515 A N 1.309 124.070 122.820 -0.098 0.000 2.445 515 A HA 0.469 4.826 4.320 0.061 0.000 0.242 515 A C 0.793 178.342 177.584 -0.058 0.000 1.075 515 A CA -0.559 51.447 52.037 -0.052 0.000 0.777 515 A CB -0.613 18.386 19.000 -0.001 0.000 1.013 515 A HN 0.864 nan 8.150 nan 0.000 0.493 516 T N 2.739 117.275 114.554 -0.030 0.000 2.754 516 T HA 0.160 4.547 4.350 0.061 0.000 0.282 516 T C -0.260 174.429 174.700 -0.017 0.000 0.923 516 T CA 0.444 62.521 62.100 -0.038 0.000 1.164 516 T CB -0.334 68.528 68.868 -0.010 0.000 0.873 516 T HN 0.601 nan 8.240 nan 0.000 0.537 517 D N 2.234 122.621 120.400 -0.022 0.000 2.278 517 D HA 0.180 4.857 4.640 0.061 0.000 0.245 517 D C 1.385 177.684 176.300 -0.002 0.000 1.052 517 D CA -0.487 53.504 54.000 -0.014 0.000 0.834 517 D CB 1.834 42.626 40.800 -0.013 0.000 1.194 517 D HN 0.480 nan 8.370 nan 0.000 0.481 518 T N -0.559 113.993 114.554 -0.003 0.000 3.023 518 T HA -0.117 4.270 4.350 0.061 0.000 0.266 518 T C 1.565 176.279 174.700 0.025 0.000 1.093 518 T CA 1.088 63.197 62.100 0.015 0.000 1.129 518 T CB -0.087 68.784 68.868 0.004 0.000 0.899 518 T HN 0.262 nan 8.240 nan 0.000 0.491 519 S N 0.099 115.807 115.700 0.013 0.000 2.593 519 S HA 0.264 4.770 4.470 0.061 0.000 0.217 519 S C 1.674 176.287 174.600 0.022 0.000 0.966 519 S CA -0.305 57.907 58.200 0.020 0.000 0.914 519 S CB -0.122 63.083 63.200 0.009 0.000 0.776 519 S HN 0.529 nan 8.310 nan 0.000 0.523 520 K N 0.253 120.665 120.400 0.020 0.000 2.190 520 K HA 0.311 4.668 4.320 0.061 0.000 0.202 520 K C -0.471 176.151 176.600 0.037 0.000 1.045 520 K CA 0.474 56.774 56.287 0.022 0.000 0.976 520 K CB 0.616 33.123 32.500 0.010 0.000 0.849 520 K HN 0.189 nan 8.250 nan 0.000 0.468 521 V N 3.965 123.906 119.914 0.044 0.000 2.482 521 V HA 0.292 4.448 4.120 0.061 0.000 0.295 521 V C -2.556 173.586 176.094 0.079 0.000 1.026 521 V CA -1.819 60.524 62.300 0.071 0.000 0.856 521 V CB 1.573 33.445 31.823 0.083 0.000 1.001 521 V HN 0.106 nan 8.190 nan 0.000 0.424 522 P HA 0.437 nan 4.420 nan 0.000 0.283 522 P C -0.301 177.074 177.300 0.125 0.000 1.278 522 P CA -0.533 62.626 63.100 0.099 0.000 0.834 522 P CB 0.704 32.459 31.700 0.091 0.000 1.150 523 N N -2.320 116.460 118.700 0.133 0.000 2.708 523 N HA -0.126 4.650 4.740 0.061 0.000 0.249 523 N C 0.043 175.641 175.510 0.146 0.000 1.097 523 N CA 1.279 54.420 53.050 0.152 0.000 0.710 523 N CB -2.496 36.080 38.487 0.148 0.000 1.032 523 N HN 0.691 nan 8.380 nan 0.000 0.551 524 T N -3.018 111.611 114.554 0.125 0.000 2.904 524 T HA 0.505 4.892 4.350 0.061 0.000 0.290 524 T C 0.736 175.443 174.700 0.012 0.000 1.018 524 T CA -0.507 61.638 62.100 0.075 0.000 1.075 524 T CB 1.729 70.633 68.868 0.060 0.000 0.986 524 T HN 0.102 nan 8.240 nan 0.000 0.523 525 S N 1.071 116.698 115.700 -0.121 0.000 2.632 525 S HA 0.611 5.118 4.470 0.061 0.000 0.267 525 S C 0.741 174.976 174.600 -0.608 0.000 1.276 525 S CA -0.665 57.315 58.200 -0.366 0.000 0.998 525 S CB 0.534 63.458 63.200 -0.461 0.000 0.953 525 S HN 1.143 nan 8.310 nan 0.000 0.547 526 A N 1.356 123.589 122.820 -0.977 0.000 2.520 526 A HA 0.307 4.664 4.320 0.061 0.000 0.235 526 A C 0.448 177.963 177.584 -0.115 0.000 1.065 526 A CA -0.095 51.569 52.037 -0.621 0.000 0.764 526 A CB -0.348 18.497 19.000 -0.257 0.000 1.002 526 A HN 0.672 nan 8.150 nan 0.000 0.502 527 T N 2.224 116.729 114.554 -0.081 0.000 2.978 527 T HA 0.512 4.899 4.350 0.061 0.000 0.278 527 T C 0.296 174.976 174.700 -0.033 0.000 0.945 527 T CA 0.922 63.007 62.100 -0.025 0.000 1.070 527 T CB -0.624 68.219 68.868 -0.041 0.000 0.948 527 T HN 1.245 nan 8.240 nan 0.000 0.617 528 A N 2.010 124.813 122.820 -0.029 0.000 2.536 528 A HA 0.854 5.211 4.320 0.061 0.000 0.293 528 A C 0.584 177.910 177.584 -0.431 0.000 1.119 528 A CA -0.313 51.635 52.037 -0.149 0.000 0.654 528 A CB 0.114 19.073 19.000 -0.069 0.000 1.291 528 A HN 1.462 nan 8.150 nan 0.000 0.439 529 A N -0.852 121.657 122.820 -0.519 0.000 2.861 529 A HA 0.039 4.396 4.320 0.061 0.000 0.261 529 A C 1.197 178.556 177.584 -0.374 0.000 1.351 529 A CA 1.851 53.526 52.037 -0.604 0.000 0.904 529 A CB -2.552 15.706 19.000 -1.237 0.000 1.076 529 A HN 2.529 nan 8.150 nan 0.000 0.729 530 S N -2.930 112.611 115.700 -0.265 0.000 3.380 530 S HA -0.310 4.197 4.470 0.061 0.000 0.300 530 S C 1.090 175.598 174.600 -0.154 0.000 1.255 530 S CA 1.959 60.050 58.200 -0.180 0.000 0.963 530 S CB -2.416 60.687 63.200 -0.163 0.000 1.106 530 S HN 2.513 nan 8.310 nan 0.000 0.629 531 S N 0.190 115.766 115.700 -0.207 0.000 2.593 531 S HA 0.327 4.833 4.470 0.061 0.000 0.217 531 S C 1.896 176.465 174.600 -0.051 0.000 0.966 531 S CA 0.543 58.667 58.200 -0.126 0.000 0.914 531 S CB -0.113 62.988 63.200 -0.165 0.000 0.776 531 S HN 0.782 nan 8.310 nan 0.000 0.523 532 G N 2.100 110.862 108.800 -0.063 0.000 2.459 532 G HA2 -0.028 3.968 3.960 0.061 0.000 0.217 532 G HA3 -0.028 3.968 3.960 0.061 0.000 0.217 532 G C 1.625 176.482 174.900 -0.071 0.000 1.183 532 G CA 0.772 45.846 45.100 -0.044 0.000 0.776 532 G HN 0.744 nan 8.290 nan 0.000 0.552 533 A N 0.639 123.413 122.820 -0.077 0.000 1.929 533 A HA 0.061 4.417 4.320 0.061 0.000 0.216 533 A C 2.080 179.605 177.584 -0.098 0.000 1.176 533 A CA 2.006 53.989 52.037 -0.091 0.000 0.628 533 A CB -0.338 18.625 19.000 -0.062 0.000 0.816 533 A HN 0.286 nan 8.150 nan 0.000 0.444 534 D N -0.096 120.260 120.400 -0.073 0.000 2.087 534 D HA -0.156 4.520 4.640 0.061 0.000 0.192 534 D C 2.119 178.278 176.300 -0.236 0.000 0.993 534 D CA 1.784 55.727 54.000 -0.095 0.000 0.828 534 D CB -0.305 40.496 40.800 0.002 0.000 0.968 534 D HN 0.456 nan 8.370 nan 0.000 0.448 535 M N -0.047 119.449 119.600 -0.173 0.000 2.160 535 M HA -0.035 4.481 4.480 0.061 0.000 0.264 535 M C 1.761 177.932 176.300 -0.215 0.000 1.073 535 M CA 0.802 55.975 55.300 -0.213 0.000 1.142 535 M CB -0.207 32.434 32.600 0.069 0.000 1.358 535 M HN -0.027 nan 8.290 nan 0.000 0.422 536 N N 0.687 119.305 118.700 -0.137 0.000 2.244 536 N HA -0.074 4.703 4.740 0.061 0.000 0.183 536 N C 1.834 177.229 175.510 -0.191 0.000 1.016 536 N CA 1.489 54.457 53.050 -0.137 0.000 0.866 536 N CB -0.396 37.996 38.487 -0.159 0.000 0.980 536 N HN 0.428 nan 8.380 nan 0.000 0.430 537 G N 1.927 110.602 108.800 -0.208 0.000 2.446 537 G HA2 -0.229 3.767 3.960 0.061 0.000 0.217 537 G HA3 -0.229 3.767 3.960 0.061 0.000 0.217 537 G C 1.588 176.382 174.900 -0.176 0.000 1.168 537 G CA 0.652 45.651 45.100 -0.168 0.000 0.771 537 G HN 0.140 nan 8.290 nan 0.000 0.551 538 M N 1.072 120.489 119.600 -0.305 0.000 2.086 538 M HA 0.036 4.552 4.480 0.061 0.000 0.261 538 M C 3.094 179.303 176.300 -0.152 0.000 1.067 538 M CA 1.405 56.504 55.300 -0.335 0.000 1.116 538 M CB -1.343 30.766 32.600 -0.818 0.000 1.348 538 M HN 0.324 nan 8.290 nan 0.000 0.407 539 A N 0.005 122.756 122.820 -0.115 0.000 1.908 539 A HA -0.105 4.252 4.320 0.061 0.000 0.218 539 A C 2.465 180.055 177.584 0.010 0.000 1.181 539 A CA 1.929 53.965 52.037 -0.001 0.000 0.627 539 A CB -1.035 17.968 19.000 0.006 0.000 0.818 539 A HN 0.304 nan 8.150 nan 0.000 0.445 540 V N 0.075 119.974 119.914 -0.025 0.000 2.295 540 V HA -0.274 3.883 4.120 0.061 0.000 0.246 540 V C 2.541 178.631 176.094 -0.006 0.000 1.049 540 V CA 2.446 64.741 62.300 -0.008 0.000 1.024 540 V CB -0.665 31.135 31.823 -0.038 0.000 0.648 540 V HN 0.726 nan 8.190 nan 0.000 0.447 541 K N 0.244 120.629 120.400 -0.025 0.000 2.113 541 K HA -0.289 4.067 4.320 0.061 0.000 0.208 541 K C 1.869 178.460 176.600 -0.015 0.000 1.047 541 K CA 2.227 58.500 56.287 -0.023 0.000 0.928 541 K CB -0.362 32.096 32.500 -0.071 0.000 0.716 541 K HN 0.512 nan 8.250 nan 0.000 0.446 542 D N -0.363 120.037 120.400 0.000 0.000 2.117 542 D HA -0.105 4.571 4.640 0.061 0.000 0.197 542 D C 1.630 177.947 176.300 0.028 0.000 0.987 542 D CA 1.457 55.473 54.000 0.028 0.000 0.829 542 D CB -0.085 40.758 40.800 0.071 0.000 0.961 542 D HN 0.348 nan 8.370 nan 0.000 0.460 543 A N -0.762 122.076 122.820 0.030 0.000 1.968 543 A HA -0.076 4.280 4.320 0.061 0.000 0.217 543 A C 2.470 180.056 177.584 0.002 0.000 1.169 543 A CA 1.133 53.184 52.037 0.023 0.000 0.638 543 A CB -0.672 18.346 19.000 0.031 0.000 0.812 543 A HN 0.468 nan 8.150 nan 0.000 0.446 544 C N -0.839 118.458 119.300 -0.004 0.000 2.505 544 C HA 0.019 4.515 4.460 0.061 0.000 0.279 544 C C 2.541 177.507 174.990 -0.040 0.000 1.316 544 C CA 0.843 59.849 59.018 -0.020 0.000 1.720 544 C CB -1.019 26.711 27.740 -0.017 0.000 2.050 544 C HN 0.671 nan 8.230 nan 0.000 0.493 545 E N 0.487 120.670 120.200 -0.029 0.000 2.153 545 E HA -0.167 4.220 4.350 0.061 0.000 0.194 545 E C 2.054 178.637 176.600 -0.029 0.000 0.988 545 E CA 1.487 57.867 56.400 -0.033 0.000 0.811 545 E CB -0.202 29.487 29.700 -0.018 0.000 0.746 545 E HN 0.584 nan 8.360 nan 0.000 0.466 546 T N 1.358 115.902 114.554 -0.016 0.000 2.708 546 T HA -0.125 4.262 4.350 0.061 0.000 0.266 546 T C 1.920 176.606 174.700 -0.025 0.000 1.037 546 T CA 0.870 62.963 62.100 -0.010 0.000 1.146 546 T CB -0.137 68.732 68.868 0.001 0.000 0.865 546 T HN 0.085 nan 8.240 nan 0.000 0.435 547 L N 0.335 121.537 121.223 -0.036 0.000 2.027 547 L HA -0.001 4.376 4.340 0.061 0.000 0.206 547 L C 2.940 179.755 176.870 -0.092 0.000 1.074 547 L CA 1.128 55.939 54.840 -0.048 0.000 0.745 547 L CB -0.480 41.560 42.059 -0.032 0.000 0.898 547 L HN 0.111 nan 8.230 nan 0.000 0.433 548 R N 0.442 120.849 120.500 -0.155 0.000 2.105 548 R HA -0.170 4.206 4.340 0.061 0.000 0.239 548 R C 2.125 178.311 176.300 -0.190 0.000 1.135 548 R CA 1.697 57.586 56.100 -0.352 0.000 0.967 548 R CB -0.507 29.581 30.300 -0.352 0.000 0.861 548 R HN 0.440 nan 8.270 nan 0.000 0.442 549 G N 0.455 109.214 108.800 -0.067 0.000 2.404 549 G HA2 -0.236 3.760 3.960 0.061 0.000 0.215 549 G HA3 -0.236 3.760 3.960 0.061 0.000 0.215 549 G C 1.513 176.436 174.900 0.038 0.000 1.174 549 G CA 0.386 45.491 45.100 0.009 0.000 0.780 549 G HN 0.319 nan 8.290 nan 0.000 0.537 550 R N -0.326 120.183 120.500 0.015 0.000 2.081 550 R HA 0.059 4.435 4.340 0.061 0.000 0.235 550 R C 2.625 178.973 176.300 0.079 0.000 1.131 550 R CA 0.899 57.017 56.100 0.031 0.000 0.960 550 R CB -0.442 29.855 30.300 -0.006 0.000 0.856 550 R HN 0.321 nan 8.270 nan 0.000 0.436 551 L N -0.017 121.253 121.223 0.078 0.000 2.027 551 L HA -0.127 4.250 4.340 0.061 0.000 0.206 551 L C 2.679 179.752 176.870 0.337 0.000 1.074 551 L CA 1.310 56.266 54.840 0.192 0.000 0.745 551 L CB -0.503 41.650 42.059 0.158 0.000 0.898 551 L HN 0.216 nan 8.230 nan 0.000 0.433 552 A N 0.082 123.108 122.820 0.344 0.000 1.933 552 A HA -0.140 4.216 4.320 0.061 0.000 0.218 552 A C 2.384 180.070 177.584 0.169 0.000 1.175 552 A CA 1.732 53.970 52.037 0.335 0.000 0.628 552 A CB -1.335 17.891 19.000 0.376 0.000 0.814 552 A HN 0.458 nan 8.150 nan 0.000 0.444 553 G N -0.927 107.959 108.800 0.143 0.000 2.418 553 G HA2 -0.238 3.759 3.960 0.061 0.000 0.217 553 G HA3 -0.238 3.759 3.960 0.061 0.000 0.217 553 G C 1.452 176.409 174.900 0.096 0.000 1.158 553 G CA 1.228 46.386 45.100 0.097 0.000 0.771 553 G HN 0.569 nan 8.290 nan 0.000 0.545 554 F N 1.583 121.529 119.950 -0.007 0.000 2.075 554 F HA -0.109 4.456 4.527 0.062 0.000 0.297 554 F C 2.635 178.394 175.800 -0.068 0.000 1.113 554 F CA 1.723 59.697 58.000 -0.042 0.000 1.218 554 F CB -0.629 38.337 39.000 -0.058 0.000 0.984 554 F HN 0.003 nan 8.300 nan 0.000 0.472 555 V N 1.201 120.898 119.914 -0.362 0.000 2.252 555 V HA -0.355 3.801 4.120 0.061 0.000 0.249 555 V C 2.870 178.775 176.094 -0.316 0.000 1.056 555 V CA 2.136 64.136 62.300 -0.501 0.000 1.022 555 V CB -1.823 29.854 31.823 -0.244 0.000 0.641 555 V HN 0.565 nan 8.190 nan 0.000 0.445 556 A N -0.171 122.567 122.820 -0.137 0.000 1.908 556 A HA -0.145 4.211 4.320 0.061 0.000 0.218 556 A C 2.425 179.953 177.584 -0.094 0.000 1.181 556 A CA 2.332 54.326 52.037 -0.072 0.000 0.627 556 A CB -0.844 18.150 19.000 -0.010 0.000 0.818 556 A HN 0.601 nan 8.150 nan 0.000 0.445 557 A N -0.568 122.184 122.820 -0.113 0.000 1.858 557 A HA -0.173 4.183 4.320 0.061 0.000 0.216 557 A C 2.297 179.790 177.584 -0.152 0.000 1.190 557 A CA 1.659 53.636 52.037 -0.100 0.000 0.617 557 A CB -0.577 18.385 19.000 -0.063 0.000 0.827 557 A HN 0.452 nan 8.150 nan 0.000 0.443 558 R N -0.169 120.153 120.500 -0.295 0.000 2.105 558 R HA -0.125 4.252 4.340 0.061 0.000 0.239 558 R C 0.514 176.697 176.300 -0.195 0.000 1.135 558 R CA 1.664 57.570 56.100 -0.324 0.000 0.967 558 R CB -0.114 29.785 30.300 -0.669 0.000 0.861 558 R HN 0.531 nan 8.270 nan 0.000 0.442 559 E N -0.759 119.343 120.200 -0.164 0.000 2.501 559 E HA 0.108 4.494 4.350 0.061 0.000 0.200 559 E C 0.090 176.671 176.600 -0.033 0.000 1.016 559 E CA 0.365 56.731 56.400 -0.056 0.000 0.921 559 E CB 0.715 30.423 29.700 0.013 0.000 1.034 559 E HN 0.455 nan 8.360 nan 0.000 0.468 560 G N 2.591 111.361 108.800 -0.050 0.000 2.296 560 G HA2 -0.281 3.716 3.960 0.061 0.000 0.263 560 G HA3 -0.281 3.716 3.960 0.061 0.000 0.263 560 G C 0.360 175.251 174.900 -0.015 0.000 0.887 560 G CA 0.628 45.711 45.100 -0.029 0.000 1.318 560 G HN 0.450 nan 8.290 nan 0.000 0.403 561 C N -0.858 118.434 119.300 -0.014 0.000 3.266 561 C HA 0.955 5.451 4.460 0.061 0.000 0.369 561 C C 0.722 175.714 174.990 0.004 0.000 1.580 561 C CA -0.452 58.565 59.018 -0.001 0.000 1.165 561 C CB 1.207 28.951 27.740 0.007 0.000 1.835 561 C HN 2.287 nan 8.230 nan 0.000 0.433 562 A N 0.448 123.276 122.820 0.013 0.000 2.407 562 A HA 0.623 4.979 4.320 0.061 0.000 0.248 562 A C 1.315 178.917 177.584 0.031 0.000 1.082 562 A CA 0.431 52.480 52.037 0.020 0.000 0.785 562 A CB 0.095 19.108 19.000 0.022 0.000 1.020 562 A HN 2.371 nan 8.150 nan 0.000 0.489 563 A N 1.992 124.836 122.820 0.040 0.000 1.969 563 A HA -0.092 4.264 4.320 0.061 0.000 0.218 563 A C 1.912 179.547 177.584 0.085 0.000 1.169 563 A CA 1.429 53.504 52.037 0.063 0.000 0.635 563 A CB -0.393 18.647 19.000 0.067 0.000 0.810 563 A HN 0.952 nan 8.150 nan 0.000 0.445 564 R N -0.625 119.916 120.500 0.068 0.000 2.346 564 R HA 0.049 4.425 4.340 0.061 0.000 0.199 564 R C -0.189 176.152 176.300 0.069 0.000 1.015 564 R CA 1.190 57.334 56.100 0.073 0.000 1.058 564 R CB -0.245 30.088 30.300 0.054 0.000 0.921 564 R HN 0.210 nan 8.270 nan 0.000 0.475 565 D N 0.295 120.731 120.400 0.061 0.000 2.407 565 D HA 0.069 4.746 4.640 0.061 0.000 0.208 565 D C -0.231 176.099 176.300 0.050 0.000 1.083 565 D CA 0.136 54.165 54.000 0.048 0.000 0.844 565 D CB 0.729 41.550 40.800 0.034 0.000 0.967 565 D HN 0.011 nan 8.370 nan 0.000 0.506 566 V N 2.822 122.777 119.914 0.069 0.000 2.427 566 V HA 0.188 4.344 4.120 0.061 0.000 0.268 566 V C 0.491 176.606 176.094 0.034 0.000 1.046 566 V CA -0.318 62.000 62.300 0.030 0.000 0.970 566 V CB 0.580 32.436 31.823 0.056 0.000 1.001 566 V HN -0.057 nan 8.190 nan 0.000 0.476 567 I N 5.428 125.965 120.570 -0.054 0.000 2.336 567 I HA 0.440 4.647 4.170 0.061 0.000 0.292 567 I C -0.613 175.437 176.117 -0.111 0.000 0.991 567 I CA -0.134 61.175 61.300 0.014 0.000 1.227 567 I CB 0.889 38.905 38.000 0.027 0.000 1.366 567 I HN 0.343 nan 8.210 nan 0.000 0.466 568 F N 4.271 124.299 119.950 0.129 0.000 2.388 568 F HA 0.514 5.078 4.527 0.062 0.000 0.358 568 F C -0.098 175.762 175.800 0.100 0.000 1.122 568 F CA -0.447 57.646 58.000 0.155 0.000 1.056 568 F CB 1.167 40.281 39.000 0.189 0.000 1.155 568 F HN 0.431 nan 8.300 nan 0.000 0.461 569 D N 1.585 122.111 120.400 0.209 0.000 2.787 569 D HA 0.482 5.159 4.640 0.061 0.000 0.215 569 D C -0.492 175.859 176.300 0.085 0.000 1.246 569 D CA -0.051 54.022 54.000 0.122 0.000 0.798 569 D CB 1.571 42.423 40.800 0.087 0.000 1.649 569 D HN 0.738 nan 8.370 nan 0.000 0.507 570 A N 2.531 125.381 122.820 0.050 0.000 2.687 570 A HA 0.227 4.584 4.320 0.061 0.000 0.299 570 A C 1.559 179.172 177.584 0.047 0.000 1.497 570 A CA 1.949 54.004 52.037 0.031 0.000 0.751 570 A CB -2.186 16.828 19.000 0.023 0.000 1.048 570 A HN 2.080 nan 8.150 nan 0.000 0.464 571 G N -2.486 106.348 108.800 0.057 0.000 2.155 571 G HA2 -0.201 3.796 3.960 0.061 0.000 0.257 571 G HA3 -0.201 3.796 3.960 0.061 0.000 0.257 571 G C -0.109 174.901 174.900 0.182 0.000 0.983 571 G CA 1.017 46.176 45.100 0.098 0.000 0.676 571 G HN 1.506 nan 8.290 nan 0.000 0.528 572 Q N -0.660 119.242 119.800 0.170 0.000 2.377 572 Q HA 0.691 5.068 4.340 0.061 0.000 0.271 572 Q C -0.473 175.608 176.000 0.137 0.000 1.077 572 Q CA -0.746 55.148 55.803 0.151 0.000 0.820 572 Q CB 2.798 31.581 28.738 0.074 0.000 1.347 572 Q HN 0.314 nan 8.270 nan 0.000 0.444 573 V N 1.955 121.939 119.914 0.117 0.000 2.448 573 V HA 0.402 4.558 4.120 0.061 0.000 0.295 573 V C -0.449 175.694 176.094 0.081 0.000 1.025 573 V CA -0.685 61.578 62.300 -0.061 0.000 0.859 573 V CB 1.794 33.557 31.823 -0.101 0.000 0.988 573 V HN 0.612 nan 8.190 nan 0.000 0.431 574 Q N 3.153 122.930 119.800 -0.039 0.000 2.310 574 Q HA 0.824 5.201 4.340 0.061 0.000 0.270 574 Q C -0.766 175.259 176.000 0.042 0.000 1.025 574 Q CA -0.539 55.263 55.803 -0.001 0.000 0.772 574 Q CB 2.807 31.517 28.738 -0.047 0.000 1.253 574 Q HN 0.922 nan 8.270 nan 0.000 0.450 575 A N 0.906 123.792 122.820 0.110 0.000 2.566 575 A HA 0.574 4.930 4.320 0.061 0.000 0.297 575 A C -0.135 177.493 177.584 0.073 0.000 1.059 575 A CA -0.493 51.610 52.037 0.109 0.000 0.691 575 A CB 1.461 20.555 19.000 0.157 0.000 1.282 575 A HN 0.625 nan 8.150 nan 0.000 0.401 576 S N 0.327 116.046 115.700 0.031 0.000 3.641 576 S HA -0.075 4.432 4.470 0.061 0.000 0.346 576 S C 1.428 175.999 174.600 -0.048 0.000 1.074 576 S CA 1.799 60.002 58.200 0.005 0.000 1.026 576 S CB -1.504 61.719 63.200 0.039 0.000 0.908 576 S HN 2.852 nan 8.310 nan 0.000 0.479 577 G N 0.111 108.870 108.800 -0.068 0.000 2.258 577 G HA2 -0.331 3.666 3.960 0.061 0.000 0.274 577 G HA3 -0.331 3.666 3.960 0.061 0.000 0.274 577 G C -0.256 174.534 174.900 -0.183 0.000 1.021 577 G CA 1.081 46.119 45.100 -0.102 0.000 0.798 577 G HN 0.706 nan 8.290 nan 0.000 0.507 578 K N 0.138 120.365 120.400 -0.289 0.000 2.397 578 K HA 0.619 4.976 4.320 0.061 0.000 0.253 578 K C -0.110 175.961 176.600 -0.883 0.000 0.932 578 K CA -0.199 55.737 56.287 -0.585 0.000 0.795 578 K CB 2.120 34.220 32.500 -0.666 0.000 1.159 578 K HN 0.385 nan 8.250 nan 0.000 0.424 579 S N 2.161 117.370 115.700 -0.819 0.000 2.503 579 S HA 0.600 5.106 4.470 0.061 0.000 0.301 579 S C -0.743 173.468 174.600 -0.648 0.000 1.087 579 S CA -0.829 57.016 58.200 -0.592 0.000 1.042 579 S CB 1.004 64.057 63.200 -0.245 0.000 1.043 579 S HN 0.598 nan 8.310 nan 0.000 0.489 580 W N 0.949 122.234 121.300 -0.024 0.000 2.967 580 W HA 0.522 5.219 4.660 0.061 0.000 0.342 580 W C 0.376 176.910 176.519 0.025 0.000 1.162 580 W CA -1.137 56.209 57.345 0.000 0.000 1.085 580 W CB 1.534 30.993 29.460 -0.001 0.000 1.460 580 W HN 0.551 nan 8.180 nan 0.000 0.584 581 R N 0.562 121.242 120.500 0.301 0.000 2.531 581 R HA 0.139 4.515 4.340 0.061 0.000 0.273 581 R C 1.137 177.600 176.300 0.271 0.000 1.070 581 R CA -0.517 55.729 56.100 0.243 0.000 1.112 581 R CB 0.726 31.138 30.300 0.186 0.000 1.049 581 R HN 0.407 nan 8.270 nan 0.000 0.508 582 F N 2.325 122.368 119.950 0.156 0.000 2.091 582 F HA -0.287 4.276 4.527 0.060 0.000 0.299 582 F C 2.067 177.952 175.800 0.141 0.000 1.103 582 F CA 2.243 60.350 58.000 0.178 0.000 1.228 582 F CB -0.174 38.934 39.000 0.180 0.000 0.984 582 F HN 0.690 nan 8.300 nan 0.000 0.477 583 A N -0.049 122.933 122.820 0.271 0.000 1.908 583 A HA -0.246 4.111 4.320 0.061 0.000 0.218 583 A C 2.111 179.719 177.584 0.039 0.000 1.181 583 A CA 2.048 54.171 52.037 0.143 0.000 0.627 583 A CB -0.908 18.187 19.000 0.158 0.000 0.818 583 A HN 0.601 nan 8.150 nan 0.000 0.445 584 E N -0.451 119.791 120.200 0.070 0.000 2.051 584 E HA -0.149 4.238 4.350 0.061 0.000 0.192 584 E C 1.906 178.487 176.600 -0.031 0.000 0.991 584 E CA 1.110 57.541 56.400 0.051 0.000 0.799 584 E CB -0.251 29.529 29.700 0.133 0.000 0.748 584 E HN 0.521 nan 8.360 nan 0.000 0.449 585 I N 1.039 121.565 120.570 -0.074 0.000 2.264 585 I HA -0.209 3.998 4.170 0.061 0.000 0.248 585 I C 2.406 178.428 176.117 -0.159 0.000 1.111 585 I CA 1.028 62.252 61.300 -0.126 0.000 1.382 585 I CB -0.841 37.082 38.000 -0.129 0.000 1.060 585 I HN 0.012 nan 8.210 nan 0.000 0.418 586 V N 1.211 120.972 119.914 -0.254 0.000 2.270 586 V HA -0.213 3.944 4.120 0.061 0.000 0.245 586 V C 2.817 178.830 176.094 -0.136 0.000 1.043 586 V CA 1.729 63.881 62.300 -0.247 0.000 1.014 586 V CB -1.081 30.584 31.823 -0.264 0.000 0.645 586 V HN 0.441 nan 8.190 nan 0.000 0.447 587 A N 0.032 122.809 122.820 -0.072 0.000 1.940 587 A HA -0.173 4.184 4.320 0.061 0.000 0.219 587 A C 2.415 179.998 177.584 -0.001 0.000 1.176 587 A CA 2.247 54.279 52.037 -0.008 0.000 0.631 587 A CB -0.796 18.205 19.000 0.002 0.000 0.814 587 A HN 0.586 nan 8.150 nan 0.000 0.446 588 A N -0.111 122.677 122.820 -0.054 0.000 1.877 588 A HA 0.123 4.479 4.320 0.061 0.000 0.216 588 A C 2.527 179.907 177.584 -0.341 0.000 1.186 588 A CA 2.250 54.255 52.037 -0.053 0.000 0.620 588 A CB -1.098 17.955 19.000 0.088 0.000 0.822 588 A HN 1.135 nan 8.150 nan 0.000 0.443 589 A N -1.681 120.746 122.820 -0.656 0.000 1.972 589 A HA -0.084 4.272 4.320 0.061 0.000 0.219 589 A C 2.098 179.401 177.584 -0.469 0.000 1.169 589 A CA 1.660 53.082 52.037 -1.024 0.000 0.635 589 A CB -0.786 17.732 19.000 -0.803 0.000 0.810 589 A HN 0.773 nan 8.150 nan 0.000 0.446 590 Y N 0.324 120.430 120.300 -0.323 0.000 2.097 590 Y HA -0.265 4.321 4.550 0.062 0.000 0.282 590 Y C 2.315 178.117 175.900 -0.163 0.000 1.152 590 Y CA 2.279 60.262 58.100 -0.195 0.000 1.136 590 Y CB -0.285 38.102 38.460 -0.122 0.000 0.975 590 Y HN 0.227 nan 8.280 nan 0.000 0.498 591 M N 0.199 119.678 119.600 -0.202 0.000 2.108 591 M HA -0.168 4.348 4.480 0.061 0.000 0.261 591 M C 2.357 178.516 176.300 -0.235 0.000 1.066 591 M CA 1.713 56.883 55.300 -0.217 0.000 1.107 591 M CB -1.776 30.796 32.600 -0.045 0.000 1.356 591 M HN 0.486 nan 8.290 nan 0.000 0.406 592 A N -0.315 122.358 122.820 -0.244 0.000 2.248 592 A HA -0.047 4.309 4.320 0.061 0.000 0.210 592 A C 0.838 178.297 177.584 -0.208 0.000 1.174 592 A CA 0.308 52.233 52.037 -0.187 0.000 0.750 592 A CB -0.557 18.297 19.000 -0.242 0.000 0.780 592 A HN 0.596 nan 8.150 nan 0.000 0.478 593 R N -1.759 118.567 120.500 -0.291 0.000 3.201 593 R HA -0.146 4.230 4.340 0.061 0.000 0.254 593 R C -1.272 174.916 176.300 -0.187 0.000 0.978 593 R CA 0.736 56.681 56.100 -0.258 0.000 0.661 593 R CB -2.061 28.120 30.300 -0.198 0.000 1.170 593 R HN 0.566 nan 8.270 nan 0.000 0.430 594 I N -0.226 120.219 120.570 -0.207 0.000 2.474 594 I HA 0.174 4.381 4.170 0.061 0.000 0.294 594 I C 0.776 176.827 176.117 -0.110 0.000 1.005 594 I CA -0.590 60.618 61.300 -0.152 0.000 1.113 594 I CB 2.007 39.889 38.000 -0.197 0.000 1.289 594 I HN 0.050 nan 8.210 nan 0.000 0.436 595 S N 5.384 121.040 115.700 -0.074 0.000 2.516 595 S HA 0.298 4.805 4.470 0.061 0.000 0.282 595 S C 0.416 174.982 174.600 -0.056 0.000 1.286 595 S CA -0.201 57.968 58.200 -0.052 0.000 1.066 595 S CB 0.105 63.282 63.200 -0.039 0.000 0.884 595 S HN 0.494 nan 8.310 nan 0.000 0.491 596 L N 4.376 125.566 121.223 -0.055 0.000 2.928 596 L HA 0.348 4.724 4.340 0.061 0.000 0.246 596 L C 0.493 177.308 176.870 -0.092 0.000 1.239 596 L CA -0.167 54.629 54.840 -0.073 0.000 1.035 596 L CB 0.455 42.467 42.059 -0.080 0.000 1.360 596 L HN 0.488 nan 8.230 nan 0.000 0.529 597 S N 0.608 116.266 115.700 -0.070 0.000 2.526 597 S HA 0.895 5.401 4.470 0.061 0.000 0.293 597 S C -0.857 173.720 174.600 -0.038 0.000 1.092 597 S CA -0.312 57.849 58.200 -0.066 0.000 0.980 597 S CB 1.788 64.952 63.200 -0.059 0.000 1.048 597 S HN 0.179 nan 8.310 nan 0.000 0.483 598 A N 2.684 125.488 122.820 -0.026 0.000 2.532 598 A HA 0.646 5.003 4.320 0.061 0.000 0.296 598 A C -0.178 177.413 177.584 0.011 0.000 1.058 598 A CA -0.620 51.413 52.037 -0.007 0.000 0.729 598 A CB 0.888 19.884 19.000 -0.007 0.000 1.285 598 A HN 0.995 nan 8.150 nan 0.000 0.396 599 T N -0.177 114.393 114.554 0.026 0.000 2.874 599 T HA 0.781 5.168 4.350 0.061 0.000 0.281 599 T C 0.398 175.143 174.700 0.076 0.000 0.994 599 T CA -0.043 62.089 62.100 0.053 0.000 1.015 599 T CB 1.723 70.625 68.868 0.058 0.000 1.028 599 T HN 1.853 nan 8.240 nan 0.000 0.523 600 G N 0.130 108.998 108.800 0.113 0.000 2.682 600 G HA2 0.615 4.612 3.960 0.061 0.000 0.300 600 G HA3 0.615 4.612 3.960 0.061 0.000 0.300 600 G C -2.081 172.961 174.900 0.236 0.000 1.391 600 G CA -0.807 44.377 45.100 0.140 0.000 0.990 600 G HN 0.725 nan 8.290 nan 0.000 0.501 601 F N 1.474 121.468 119.950 0.074 0.000 2.588 601 F HA 0.788 5.351 4.527 0.059 0.000 0.310 601 F C -1.682 174.213 175.800 0.158 0.000 1.082 601 F CA -1.211 56.846 58.000 0.095 0.000 0.929 601 F CB 2.402 41.437 39.000 0.057 0.000 1.254 601 F HN 0.575 nan 8.300 nan 0.000 0.455 602 Y N 3.294 123.121 120.300 -0.788 0.000 2.534 602 Y HA 0.787 5.373 4.550 0.060 0.000 0.345 602 Y C -1.821 173.660 175.900 -0.699 0.000 1.031 602 Y CA -0.847 56.956 58.100 -0.496 0.000 1.022 602 Y CB 1.946 40.248 38.460 -0.263 0.000 1.292 602 Y HN 0.872 nan 8.280 nan 0.000 0.459 603 A N 3.018 125.181 122.820 -1.095 0.000 2.408 603 A HA 0.575 4.932 4.320 0.061 0.000 0.295 603 A C -1.092 175.929 177.584 -0.939 0.000 1.040 603 A CA -0.747 50.845 52.037 -0.741 0.000 0.707 603 A CB 0.857 19.716 19.000 -0.234 0.000 1.235 603 A HN 0.685 nan 8.150 nan 0.000 0.418 604 T N 5.184 119.425 114.554 -0.522 0.000 2.799 604 T HA 0.443 4.830 4.350 0.061 0.000 0.296 604 T C -1.925 172.702 174.700 -0.121 0.000 0.947 604 T CA -0.321 61.647 62.100 -0.220 0.000 1.141 604 T CB 0.207 69.124 68.868 0.083 0.000 0.891 604 T HN 0.601 nan 8.240 nan 0.000 0.533 605 P HA 0.376 nan 4.420 nan 0.000 0.282 605 P C 0.040 177.342 177.300 0.004 0.000 1.287 605 P CA -0.658 62.421 63.100 -0.036 0.000 0.792 605 P CB 0.720 32.404 31.700 -0.026 0.000 1.163 606 K N -2.443 117.961 120.400 0.007 0.000 3.553 606 K HA -0.140 4.217 4.320 0.061 0.000 0.303 606 K C -0.211 176.394 176.600 0.009 0.000 1.327 606 K CA 0.698 56.992 56.287 0.013 0.000 0.983 606 K CB -1.974 30.538 32.500 0.020 0.000 1.275 606 K HN 0.368 nan 8.250 nan 0.000 0.453 607 L N 1.118 122.349 121.223 0.013 0.000 2.264 607 L HA 0.454 4.831 4.340 0.061 0.000 0.289 607 L C 0.075 176.979 176.870 0.057 0.000 1.044 607 L CA -0.506 54.345 54.840 0.017 0.000 0.807 607 L CB 1.809 43.879 42.059 0.019 0.000 1.192 607 L HN 0.024 nan 8.230 nan 0.000 0.425 608 S N 4.562 120.313 115.700 0.084 0.000 2.599 608 S HA 0.556 5.063 4.470 0.061 0.000 0.269 608 S C -1.775 172.936 174.600 0.185 0.000 1.135 608 S CA -0.681 57.585 58.200 0.110 0.000 1.027 608 S CB 0.672 63.904 63.200 0.054 0.000 1.129 608 S HN 0.633 nan 8.310 nan 0.000 0.458 609 W N 4.004 125.246 121.300 -0.096 0.000 3.256 609 W HA 0.548 5.244 4.660 0.060 0.000 0.324 609 W C -1.914 174.540 176.519 -0.108 0.000 1.196 609 W CA -0.772 56.497 57.345 -0.125 0.000 1.206 609 W CB 0.624 29.964 29.460 -0.200 0.000 1.385 609 W HN 0.514 nan 8.180 nan 0.000 0.522 610 D N 3.730 123.972 120.400 -0.263 0.000 2.280 610 D HA 0.184 4.861 4.640 0.061 0.000 0.243 610 D C 1.117 177.013 176.300 -0.673 0.000 1.129 610 D CA -0.088 53.658 54.000 -0.422 0.000 0.848 610 D CB 1.699 42.375 40.800 -0.207 0.000 1.107 610 D HN 0.576 nan 8.370 nan 0.000 0.471 611 R N 3.312 123.306 120.500 -0.843 0.000 2.062 611 R HA -0.039 4.337 4.340 0.061 0.000 0.229 611 R C 1.786 178.010 176.300 -0.126 0.000 1.128 611 R CA 0.851 56.484 56.100 -0.778 0.000 0.960 611 R CB 0.089 30.049 30.300 -0.567 0.000 0.855 611 R HN 0.473 nan 8.270 nan 0.000 0.432 612 L N 0.148 121.325 121.223 -0.076 0.000 2.131 612 L HA -0.031 4.346 4.340 0.061 0.000 0.206 612 L C 2.420 179.353 176.870 0.105 0.000 1.087 612 L CA 1.027 55.928 54.840 0.101 0.000 0.767 612 L CB -0.200 41.878 42.059 0.033 0.000 0.917 612 L HN 0.076 nan 8.230 nan 0.000 0.441 613 R N 0.319 120.784 120.500 -0.058 0.000 2.275 613 R HA 0.107 4.484 4.340 0.061 0.000 0.199 613 R C 1.105 177.250 176.300 -0.257 0.000 0.989 613 R CA 0.701 56.755 56.100 -0.078 0.000 1.016 613 R CB -0.145 30.112 30.300 -0.073 0.000 0.918 613 R HN 0.424 nan 8.270 nan 0.000 0.473 614 G N 2.010 110.466 108.800 -0.572 0.000 2.273 614 G HA2 -0.245 3.751 3.960 0.061 0.000 0.280 614 G HA3 -0.245 3.751 3.960 0.061 0.000 0.280 614 G C -0.177 174.416 174.900 -0.512 0.000 1.047 614 G CA 0.286 44.629 45.100 -1.262 0.000 0.869 614 G HN 0.236 nan 8.290 nan 0.000 0.502 615 Q N -1.082 118.593 119.800 -0.209 0.000 2.423 615 Q HA 0.767 5.144 4.340 0.061 0.000 0.278 615 Q C 0.494 176.547 176.000 0.087 0.000 1.097 615 Q CA 0.200 55.981 55.803 -0.037 0.000 0.809 615 Q CB 2.190 30.902 28.738 -0.043 0.000 1.391 615 Q HN 1.599 nan 8.270 nan 0.000 0.428 616 G N 0.964 109.828 108.800 0.106 0.000 2.280 616 G HA2 -0.080 3.916 3.960 0.061 0.000 0.277 616 G HA3 -0.080 3.916 3.960 0.061 0.000 0.277 616 G C -1.429 173.529 174.900 0.098 0.000 1.288 616 G CA -0.902 44.276 45.100 0.130 0.000 1.075 616 G HN 0.389 nan 8.290 nan 0.000 0.480 617 R N 1.428 121.965 120.500 0.061 0.000 2.407 617 R HA 0.453 4.830 4.340 0.061 0.000 0.298 617 R C -1.922 174.227 176.300 -0.252 0.000 1.166 617 R CA -1.647 54.413 56.100 -0.068 0.000 1.006 617 R CB 1.893 32.176 30.300 -0.029 0.000 1.145 617 R HN 0.319 nan 8.270 nan 0.000 0.538 618 P HA 0.038 nan 4.420 nan 0.000 0.230 618 P C -0.318 176.398 177.300 -0.972 0.000 1.168 618 P CA 0.605 62.929 63.100 -1.294 0.000 0.793 618 P CB 0.350 30.472 31.700 -2.630 0.000 0.851 619 F N -0.955 118.757 119.950 -0.397 0.000 2.508 619 F HA 0.295 4.859 4.527 0.060 0.000 0.325 619 F C 1.598 177.181 175.800 -0.362 0.000 1.090 619 F CA -1.277 56.450 58.000 -0.456 0.000 0.945 619 F CB 1.539 40.109 39.000 -0.718 0.000 1.156 619 F HN -0.325 nan 8.300 nan 0.000 0.463 620 L N 3.091 124.260 121.223 -0.090 0.000 2.027 620 L HA -0.000 4.376 4.340 0.061 0.000 0.206 620 L C -0.260 176.641 176.870 0.052 0.000 1.074 620 L CA 1.658 56.508 54.840 0.018 0.000 0.745 620 L CB -0.305 41.852 42.059 0.163 0.000 0.898 620 L HN 0.679 nan 8.230 nan 0.000 0.433 621 Y N -5.021 115.137 120.300 -0.238 0.000 2.744 621 Y HA 0.582 5.168 4.550 0.060 0.000 0.330 621 Y C -1.343 174.232 175.900 -0.541 0.000 1.263 621 Y CA -2.318 55.620 58.100 -0.269 0.000 1.065 621 Y CB 0.404 38.825 38.460 -0.065 0.000 1.306 621 Y HN -0.219 nan 8.280 nan 0.000 0.459 622 F N 1.202 121.182 119.950 0.051 0.000 2.507 622 F HA 0.801 5.365 4.527 0.061 0.000 0.325 622 F C 0.176 175.825 175.800 -0.252 0.000 1.116 622 F CA -0.990 56.843 58.000 -0.278 0.000 0.930 622 F CB 2.181 40.899 39.000 -0.470 0.000 1.146 622 F HN 0.799 nan 8.300 nan 0.000 0.447 623 A N 3.355 126.107 122.820 -0.113 0.000 2.327 623 A HA 0.692 5.049 4.320 0.061 0.000 0.283 623 A C -1.552 175.794 177.584 -0.397 0.000 1.127 623 A CA -0.194 51.799 52.037 -0.075 0.000 0.810 623 A CB 0.190 19.233 19.000 0.072 0.000 1.066 623 A HN 0.739 nan 8.150 nan 0.000 0.492 624 Y N 0.142 120.348 120.300 -0.158 0.000 2.602 624 Y HA 0.719 5.306 4.550 0.061 0.000 0.342 624 Y C 0.787 176.389 175.900 -0.498 0.000 1.029 624 Y CA 0.134 58.069 58.100 -0.274 0.000 1.080 624 Y CB 2.746 41.011 38.460 -0.325 0.000 1.284 624 Y HN 1.088 nan 8.280 nan 0.000 0.485 625 G N -0.274 108.441 108.800 -0.142 0.000 2.356 625 G HA2 0.650 4.647 3.960 0.061 0.000 0.294 625 G HA3 0.650 4.647 3.960 0.061 0.000 0.294 625 G C -2.250 172.650 174.900 -0.000 0.000 1.423 625 G CA -0.208 44.842 45.100 -0.083 0.000 0.806 625 G HN 0.941 nan 8.290 nan 0.000 0.527 626 A N -1.253 121.593 122.820 0.043 0.000 2.589 626 A HA 1.060 5.417 4.320 0.061 0.000 0.296 626 A C -0.560 177.053 177.584 0.048 0.000 1.062 626 A CA 0.236 52.290 52.037 0.028 0.000 0.686 626 A CB 1.441 20.418 19.000 -0.039 0.000 1.282 626 A HN 2.543 nan 8.150 nan 0.000 0.404 627 A N 1.145 123.993 122.820 0.048 0.000 2.422 627 A HA 0.773 5.130 4.320 0.061 0.000 0.302 627 A C -1.126 176.456 177.584 -0.003 0.000 1.041 627 A CA -0.314 51.746 52.037 0.037 0.000 0.708 627 A CB 0.837 19.909 19.000 0.119 0.000 1.257 627 A HN 0.825 nan 8.150 nan 0.000 0.414 628 I N 2.129 122.673 120.570 -0.043 0.000 2.355 628 I HA 0.373 4.580 4.170 0.061 0.000 0.288 628 I C -0.256 175.871 176.117 0.017 0.000 0.999 628 I CA -0.099 61.169 61.300 -0.053 0.000 1.163 628 I CB 2.086 40.002 38.000 -0.140 0.000 1.316 628 I HN 0.572 nan 8.210 nan 0.000 0.454 629 T N 5.340 119.932 114.554 0.064 0.000 2.797 629 T HA 0.302 4.689 4.350 0.061 0.000 0.279 629 T C -0.520 174.213 174.700 0.055 0.000 0.991 629 T CA -0.563 61.577 62.100 0.067 0.000 0.979 629 T CB 1.726 70.672 68.868 0.131 0.000 0.943 629 T HN 0.525 nan 8.240 nan 0.000 0.444 630 E N 2.425 122.635 120.200 0.016 0.000 2.171 630 E HA 0.616 5.002 4.350 0.061 0.000 0.271 630 E C -0.802 175.769 176.600 -0.048 0.000 0.916 630 E CA -0.798 55.593 56.400 -0.016 0.000 0.774 630 E CB 1.082 30.760 29.700 -0.037 0.000 1.128 630 E HN 0.506 nan 8.360 nan 0.000 0.403 631 V N 0.893 120.769 119.914 -0.064 0.000 3.102 631 V HA 0.780 4.937 4.120 0.061 0.000 0.312 631 V C -0.644 175.390 176.094 -0.100 0.000 1.135 631 V CA -0.893 61.362 62.300 -0.076 0.000 1.022 631 V CB 1.604 33.390 31.823 -0.062 0.000 1.056 631 V HN 0.441 nan 8.190 nan 0.000 0.436 632 V N 1.294 121.154 119.914 -0.089 0.000 2.588 632 V HA 0.793 4.949 4.120 0.061 0.000 0.304 632 V C -0.250 175.824 176.094 -0.034 0.000 1.042 632 V CA -0.539 61.719 62.300 -0.070 0.000 0.877 632 V CB 1.045 32.820 31.823 -0.081 0.000 0.996 632 V HN 1.235 nan 8.190 nan 0.000 0.425 633 I N -0.315 120.248 120.570 -0.011 0.000 2.693 633 I HA 0.807 5.013 4.170 0.061 0.000 0.303 633 I C -0.747 175.377 176.117 0.012 0.000 1.025 633 I CA -0.508 60.784 61.300 -0.015 0.000 1.086 633 I CB 2.047 40.023 38.000 -0.040 0.000 1.268 633 I HN 0.574 nan 8.210 nan 0.000 0.440 634 D N 2.822 123.222 120.400 -0.001 0.000 2.249 634 D HA 0.286 4.963 4.640 0.061 0.000 0.246 634 D C 0.635 176.931 176.300 -0.007 0.000 1.114 634 D CA -0.363 53.640 54.000 0.005 0.000 0.854 634 D CB 1.247 42.047 40.800 -0.001 0.000 1.132 634 D HN 0.455 nan 8.370 nan 0.000 0.461 635 R N 3.046 123.543 120.500 -0.004 0.000 2.323 635 R HA 0.093 4.470 4.340 0.061 0.000 0.198 635 R C 0.988 177.278 176.300 -0.017 0.000 0.988 635 R CA 0.390 56.481 56.100 -0.015 0.000 1.041 635 R CB 0.217 30.506 30.300 -0.018 0.000 0.926 635 R HN 0.562 nan 8.270 nan 0.000 0.476 636 L N -1.200 120.015 121.223 -0.013 0.000 2.467 636 L HA 0.037 4.414 4.340 0.061 0.000 0.213 636 L C 1.951 178.813 176.870 -0.013 0.000 1.053 636 L CA 0.981 55.813 54.840 -0.013 0.000 0.847 636 L CB 0.297 42.349 42.059 -0.011 0.000 1.075 636 L HN 0.154 nan 8.230 nan 0.000 0.479 637 T N -5.567 108.979 114.554 -0.013 0.000 2.964 637 T HA 0.304 4.690 4.350 0.061 0.000 0.249 637 T C 1.384 176.073 174.700 -0.018 0.000 1.000 637 T CA 0.633 62.725 62.100 -0.014 0.000 0.992 637 T CB 1.182 70.043 68.868 -0.012 0.000 1.087 637 T HN 0.293 nan 8.240 nan 0.000 0.489 638 G N 1.426 110.214 108.800 -0.021 0.000 2.176 638 G HA2 -0.205 3.791 3.960 0.061 0.000 0.232 638 G HA3 -0.205 3.791 3.960 0.061 0.000 0.232 638 G C -0.190 174.693 174.900 -0.029 0.000 0.986 638 G CA -0.076 45.008 45.100 -0.028 0.000 0.643 638 G HN 0.653 nan 8.290 nan 0.000 0.522 639 E N 0.798 120.984 120.200 -0.024 0.000 2.442 639 E HA 0.394 4.780 4.350 0.061 0.000 0.262 639 E C 0.488 177.072 176.600 -0.026 0.000 1.004 639 E CA 0.938 57.323 56.400 -0.025 0.000 0.928 639 E CB 0.242 29.931 29.700 -0.018 0.000 0.937 639 E HN 0.785 nan 8.360 nan 0.000 0.446 640 N N 1.193 119.873 118.700 -0.033 0.000 2.591 640 N HA 0.454 5.231 4.740 0.061 0.000 0.263 640 N C -1.498 173.986 175.510 -0.044 0.000 1.308 640 N CA -1.084 51.943 53.050 -0.039 0.000 0.837 640 N CB 1.694 40.152 38.487 -0.048 0.000 1.548 640 N HN 0.344 nan 8.380 nan 0.000 0.493 641 R N 0.996 121.467 120.500 -0.048 0.000 2.651 641 R HA 0.486 4.863 4.340 0.061 0.000 0.278 641 R C -1.439 174.823 176.300 -0.063 0.000 1.010 641 R CA -0.782 55.286 56.100 -0.053 0.000 0.896 641 R CB 1.345 31.617 30.300 -0.046 0.000 1.211 641 R HN 0.714 nan 8.270 nan 0.000 0.456 642 I N 6.145 126.675 120.570 -0.067 0.000 2.421 642 I HA 0.011 4.217 4.170 0.061 0.000 0.291 642 I C 1.151 177.221 176.117 -0.079 0.000 1.089 642 I CA -0.038 61.222 61.300 -0.067 0.000 1.354 642 I CB 0.982 38.945 38.000 -0.061 0.000 1.413 642 I HN 0.657 nan 8.210 nan 0.000 0.513 643 L N 5.778 126.953 121.223 -0.080 0.000 2.102 643 L HA 0.153 4.529 4.340 0.061 0.000 0.202 643 L C 1.124 177.946 176.870 -0.080 0.000 1.076 643 L CA 0.791 55.580 54.840 -0.086 0.000 0.761 643 L CB -0.048 41.945 42.059 -0.110 0.000 0.921 643 L HN 0.576 nan 8.230 nan 0.000 0.444 644 R N -1.074 119.381 120.500 -0.075 0.000 2.604 644 R HA 0.415 4.792 4.340 0.061 0.000 0.270 644 R C -1.646 174.609 176.300 -0.075 0.000 1.052 644 R CA -0.351 55.709 56.100 -0.067 0.000 0.902 644 R CB 2.135 32.412 30.300 -0.038 0.000 1.233 644 R HN -0.216 nan 8.270 nan 0.000 0.455 645 T N 2.102 116.590 114.554 -0.109 0.000 2.893 645 T HA 0.417 4.804 4.350 0.061 0.000 0.293 645 T C -1.633 173.035 174.700 -0.053 0.000 1.027 645 T CA -0.791 61.220 62.100 -0.148 0.000 0.988 645 T CB 1.501 70.086 68.868 -0.472 0.000 1.043 645 T HN 0.463 nan 8.240 nan 0.000 0.461 646 D N 2.496 122.867 120.400 -0.049 0.000 2.593 646 D HA 0.479 5.155 4.640 0.061 0.000 0.251 646 D C -0.761 175.524 176.300 -0.024 0.000 1.140 646 D CA -0.292 53.700 54.000 -0.013 0.000 0.855 646 D CB 2.333 43.134 40.800 0.002 0.000 1.267 646 D HN 0.349 nan 8.370 nan 0.000 0.532 647 I N 2.115 122.681 120.570 -0.007 0.000 2.465 647 I HA 0.263 4.470 4.170 0.061 0.000 0.291 647 I C -0.992 175.156 176.117 0.052 0.000 1.014 647 I CA -0.923 60.386 61.300 0.016 0.000 1.093 647 I CB 2.406 40.408 38.000 0.005 0.000 1.267 647 I HN 0.076 nan 8.210 nan 0.000 0.431 648 L N 7.215 128.484 121.223 0.077 0.000 2.353 648 L HA 0.466 4.842 4.340 0.061 0.000 0.270 648 L C -1.006 175.949 176.870 0.142 0.000 1.003 648 L CA -0.127 54.784 54.840 0.119 0.000 0.862 648 L CB 0.564 42.693 42.059 0.118 0.000 1.221 648 L HN 0.521 nan 8.230 nan 0.000 0.430 649 H N 1.733 120.855 119.070 0.086 0.000 2.492 649 H HA 0.491 5.083 4.556 0.061 0.000 0.345 649 H C -1.142 174.280 175.328 0.156 0.000 1.136 649 H CA -0.557 55.541 56.048 0.083 0.000 1.202 649 H CB 1.497 31.296 29.762 0.061 0.000 1.524 649 H HN 0.641 nan 8.280 nan 0.000 0.506 650 D N 2.832 123.035 120.400 -0.329 0.000 2.313 650 D HA 0.306 4.983 4.640 0.061 0.000 0.239 650 D C -0.337 175.997 176.300 0.056 0.000 1.142 650 D CA -0.219 53.780 54.000 -0.001 0.000 0.847 650 D CB 0.891 41.660 40.800 -0.052 0.000 1.082 650 D HN 0.611 nan 8.370 nan 0.000 0.480 651 A N 3.300 126.237 122.820 0.194 0.000 2.535 651 A HA 0.642 4.998 4.320 0.061 0.000 0.273 651 A C 1.292 178.951 177.584 0.124 0.000 1.267 651 A CA 0.362 52.508 52.037 0.182 0.000 0.940 651 A CB -0.502 18.602 19.000 0.172 0.000 1.101 651 A HN 0.960 nan 8.150 nan 0.000 0.521 652 G N 0.215 109.097 108.800 0.136 0.000 2.574 652 G HA2 0.106 4.103 3.960 0.061 0.000 0.286 652 G HA3 0.106 4.103 3.960 0.061 0.000 0.286 652 G C 0.566 175.494 174.900 0.047 0.000 1.212 652 G CA 0.051 45.199 45.100 0.080 0.000 0.979 652 G HN 1.821 nan 8.290 nan 0.000 0.557 653 A N -0.017 122.812 122.820 0.016 0.000 2.506 653 A HA 0.688 5.045 4.320 0.061 0.000 0.320 653 A C 0.814 178.407 177.584 0.015 0.000 1.424 653 A CA 1.376 53.419 52.037 0.010 0.000 1.044 653 A CB 0.044 19.054 19.000 0.016 0.000 1.140 653 A HN 2.207 nan 8.150 nan 0.000 0.538 654 S N 2.093 117.800 115.700 0.011 0.000 2.558 654 S HA 0.091 4.597 4.470 0.061 0.000 0.293 654 S C 1.250 175.838 174.600 -0.019 0.000 1.292 654 S CA -0.220 57.985 58.200 0.008 0.000 1.063 654 S CB -0.058 63.147 63.200 0.007 0.000 0.831 654 S HN 0.561 nan 8.310 nan 0.000 0.499 655 L N 3.507 124.719 121.223 -0.019 0.000 2.179 655 L HA 0.169 4.546 4.340 0.061 0.000 0.208 655 L C 1.167 177.994 176.870 -0.072 0.000 1.096 655 L CA 0.518 55.325 54.840 -0.055 0.000 0.779 655 L CB -0.133 41.906 42.059 -0.034 0.000 0.922 655 L HN 0.649 nan 8.230 nan 0.000 0.443 656 N N -1.301 117.373 118.700 -0.044 0.000 2.699 656 N HA 0.122 4.899 4.740 0.061 0.000 0.271 656 N C -2.414 173.082 175.510 -0.022 0.000 1.216 656 N CA -1.034 51.991 53.050 -0.041 0.000 0.844 656 N CB 1.624 40.086 38.487 -0.040 0.000 1.462 656 N HN -0.288 nan 8.380 nan 0.000 0.555 657 P HA -0.031 nan 4.420 nan 0.000 0.217 657 P C 1.152 178.445 177.300 -0.011 0.000 1.150 657 P CA 1.261 64.353 63.100 -0.013 0.000 0.832 657 P CB 0.361 32.049 31.700 -0.020 0.000 0.787 658 A N 0.038 122.850 122.820 -0.013 0.000 1.851 658 A HA -0.192 4.164 4.320 0.061 0.000 0.216 658 A C 2.234 179.818 177.584 -0.001 0.000 1.195 658 A CA 1.772 53.803 52.037 -0.009 0.000 0.622 658 A CB -1.747 17.252 19.000 -0.002 0.000 0.831 658 A HN 0.117 nan 8.150 nan 0.000 0.444 659 L N -0.683 120.545 121.223 0.008 0.000 2.131 659 L HA -0.182 4.195 4.340 0.061 0.000 0.210 659 L C 2.046 178.923 176.870 0.012 0.000 1.092 659 L CA 1.325 56.178 54.840 0.022 0.000 0.759 659 L CB -0.810 41.263 42.059 0.023 0.000 0.903 659 L HN 0.298 nan 8.230 nan 0.000 0.435 660 D N 0.372 120.775 120.400 0.005 0.000 2.097 660 D HA -0.143 4.534 4.640 0.061 0.000 0.197 660 D C 2.300 178.595 176.300 -0.009 0.000 0.984 660 D CA 1.065 55.070 54.000 0.008 0.000 0.826 660 D CB -0.022 40.793 40.800 0.026 0.000 0.973 660 D HN 0.126 nan 8.370 nan 0.000 0.460 661 I N 1.014 121.572 120.570 -0.020 0.000 2.264 661 I HA -0.147 4.059 4.170 0.061 0.000 0.248 661 I C 2.485 178.557 176.117 -0.075 0.000 1.111 661 I CA 1.200 62.466 61.300 -0.058 0.000 1.382 661 I CB -1.542 36.416 38.000 -0.071 0.000 1.060 661 I HN 0.000 nan 8.210 nan 0.000 0.418 662 G N 0.410 109.187 108.800 -0.039 0.000 2.446 662 G HA2 -0.242 3.755 3.960 0.061 0.000 0.217 662 G HA3 -0.242 3.755 3.960 0.061 0.000 0.217 662 G C 1.542 176.446 174.900 0.007 0.000 1.168 662 G CA 0.310 45.400 45.100 -0.017 0.000 0.771 662 G HN 0.341 nan 8.290 nan 0.000 0.551 663 Q N 0.183 119.989 119.800 0.010 0.000 2.050 663 Q HA -0.022 4.355 4.340 0.061 0.000 0.202 663 Q C 2.765 178.768 176.000 0.006 0.000 0.980 663 Q CA 0.937 56.753 55.803 0.021 0.000 0.840 663 Q CB -0.329 28.409 28.738 0.000 0.000 0.898 663 Q HN 0.587 nan 8.270 nan 0.000 0.424 664 I N 0.800 121.342 120.570 -0.047 0.000 2.226 664 I HA -0.268 3.938 4.170 0.061 0.000 0.245 664 I C 2.258 178.386 176.117 0.019 0.000 1.100 664 I CA 1.125 62.381 61.300 -0.074 0.000 1.374 664 I CB -0.228 37.701 38.000 -0.118 0.000 1.057 664 I HN 0.234 nan 8.210 nan 0.000 0.413 665 E N 0.822 120.997 120.200 -0.041 0.000 2.012 665 E HA -0.193 4.193 4.350 0.061 0.000 0.197 665 E C 2.310 179.051 176.600 0.236 0.000 1.007 665 E CA 1.396 57.790 56.400 -0.009 0.000 0.816 665 E CB -0.507 29.047 29.700 -0.242 0.000 0.762 665 E HN 0.573 nan 8.360 nan 0.000 0.451 666 G N 1.137 110.027 108.800 0.150 0.000 2.491 666 G HA2 -0.342 3.654 3.960 0.061 0.000 0.218 666 G HA3 -0.342 3.654 3.960 0.061 0.000 0.218 666 G C 1.705 176.724 174.900 0.199 0.000 1.180 666 G CA 1.359 46.567 45.100 0.180 0.000 0.774 666 G HN 0.381 nan 8.290 nan 0.000 0.562 667 A N -0.126 122.809 122.820 0.192 0.000 1.940 667 A HA -0.085 4.271 4.320 0.061 0.000 0.219 667 A C 2.214 179.848 177.584 0.084 0.000 1.176 667 A CA 1.893 54.050 52.037 0.200 0.000 0.631 667 A CB -0.731 18.369 19.000 0.167 0.000 0.814 667 A HN 0.577 nan 8.150 nan 0.000 0.446 668 Y N 0.612 120.926 120.300 0.023 0.000 2.097 668 Y HA -0.219 4.367 4.550 0.061 0.000 0.282 668 Y C 2.329 178.188 175.900 -0.068 0.000 1.152 668 Y CA 2.152 60.243 58.100 -0.015 0.000 1.136 668 Y CB -0.485 38.049 38.460 0.123 0.000 0.975 668 Y HN 0.057 nan 8.280 nan 0.000 0.498 669 V N 0.784 120.737 119.914 0.064 0.000 2.332 669 V HA -0.371 3.786 4.120 0.061 0.000 0.248 669 V C 2.419 178.413 176.094 -0.168 0.000 1.055 669 V CA 2.437 64.696 62.300 -0.068 0.000 1.038 669 V CB -0.774 31.094 31.823 0.075 0.000 0.651 669 V HN 0.524 nan 8.190 nan 0.000 0.450 670 Q N -0.430 119.313 119.800 -0.096 0.000 2.123 670 Q HA -0.101 4.276 4.340 0.061 0.000 0.199 670 Q C 2.251 178.070 176.000 -0.302 0.000 0.966 670 Q CA 1.553 57.324 55.803 -0.054 0.000 0.845 670 Q CB -0.329 28.513 28.738 0.172 0.000 0.907 670 Q HN 0.684 nan 8.270 nan 0.000 0.439 671 G N 0.095 108.446 108.800 -0.748 0.000 2.404 671 G HA2 -0.214 3.782 3.960 0.061 0.000 0.215 671 G HA3 -0.214 3.782 3.960 0.061 0.000 0.215 671 G C 1.404 175.989 174.900 -0.525 0.000 1.174 671 G CA 0.734 45.116 45.100 -1.196 0.000 0.780 671 G HN 0.453 nan 8.290 nan 0.000 0.537 672 A N 0.926 123.408 122.820 -0.564 0.000 1.898 672 A HA 0.185 4.541 4.320 0.061 0.000 0.216 672 A C 2.709 180.140 177.584 -0.254 0.000 1.181 672 A CA 2.003 53.775 52.037 -0.442 0.000 0.620 672 A CB -1.081 17.541 19.000 -0.630 0.000 0.819 672 A HN 0.522 nan 8.150 nan 0.000 0.442 673 G N -1.519 107.151 108.800 -0.216 0.000 2.442 673 G HA2 -0.307 3.690 3.960 0.061 0.000 0.219 673 G HA3 -0.307 3.690 3.960 0.061 0.000 0.219 673 G C 1.346 176.216 174.900 -0.050 0.000 1.141 673 G CA 1.153 46.176 45.100 -0.130 0.000 0.763 673 G HN 0.723 nan 8.290 nan 0.000 0.554 674 W N 0.948 122.118 121.300 -0.217 0.000 2.374 674 W HA 0.126 4.823 4.660 0.062 0.000 0.288 674 W C 1.536 177.959 176.519 -0.160 0.000 1.218 674 W CA 0.790 58.038 57.345 -0.160 0.000 1.245 674 W CB -0.105 29.273 29.460 -0.137 0.000 1.126 674 W HN 0.111 nan 8.180 nan 0.000 0.545 675 L N 0.710 121.722 121.223 -0.352 0.000 2.769 675 L HA 0.195 4.571 4.340 0.061 0.000 0.240 675 L C 1.667 178.433 176.870 -0.173 0.000 1.163 675 L CA 0.740 55.285 54.840 -0.492 0.000 0.962 675 L CB -0.482 41.229 42.059 -0.581 0.000 1.258 675 L HN -0.000 nan 8.230 nan 0.000 0.513 676 T N -5.473 108.996 114.554 -0.142 0.000 3.463 676 T HA -0.014 4.373 4.350 0.061 0.000 0.203 676 T C 1.548 176.183 174.700 -0.108 0.000 0.955 676 T CA 0.798 62.844 62.100 -0.090 0.000 1.230 676 T CB -0.263 68.549 68.868 -0.094 0.000 1.392 676 T HN 0.076 nan 8.240 nan 0.000 0.361 677 T N -0.302 114.170 114.554 -0.137 0.000 3.037 677 T HA 0.286 4.672 4.350 0.061 0.000 0.251 677 T C 0.494 175.050 174.700 -0.239 0.000 1.079 677 T CA -0.145 61.857 62.100 -0.162 0.000 1.067 677 T CB -0.395 68.376 68.868 -0.162 0.000 0.948 677 T HN 0.481 nan 8.240 nan 0.000 0.496 678 E N 2.006 122.048 120.200 -0.264 0.000 2.180 678 E HA 0.357 4.744 4.350 0.061 0.000 0.283 678 E C -0.433 176.053 176.600 -0.191 0.000 1.061 678 E CA -0.110 56.037 56.400 -0.421 0.000 0.861 678 E CB 0.707 30.238 29.700 -0.282 0.000 1.056 678 E HN 0.546 nan 8.360 nan 0.000 0.407 679 E N 4.385 124.480 120.200 -0.176 0.000 2.278 679 E HA 0.252 4.638 4.350 0.061 0.000 0.272 679 E C -1.440 175.222 176.600 0.103 0.000 0.890 679 E CA -0.601 55.800 56.400 0.003 0.000 0.770 679 E CB 1.052 30.730 29.700 -0.037 0.000 1.212 679 E HN 0.379 nan 8.360 nan 0.000 0.415 680 L N 4.148 125.421 121.223 0.085 0.000 2.275 680 L HA 0.496 4.873 4.340 0.061 0.000 0.288 680 L C -0.818 175.915 176.870 -0.228 0.000 1.046 680 L CA -0.889 53.883 54.840 -0.114 0.000 0.805 680 L CB 1.584 43.495 42.059 -0.247 0.000 1.193 680 L HN 0.355 nan 8.230 nan 0.000 0.426 681 V N 2.473 122.206 119.914 -0.302 0.000 2.444 681 V HA 0.409 4.566 4.120 0.061 0.000 0.294 681 V C -0.653 175.294 176.094 -0.245 0.000 1.022 681 V CA -0.636 61.572 62.300 -0.153 0.000 0.850 681 V CB 1.747 33.548 31.823 -0.037 0.000 0.992 681 V HN 0.601 nan 8.190 nan 0.000 0.426 682 W N 3.068 124.404 121.300 0.060 0.000 2.551 682 W HA 0.417 5.113 4.660 0.060 0.000 0.330 682 W C 0.118 176.654 176.519 0.029 0.000 1.063 682 W CA -0.536 56.834 57.345 0.042 0.000 1.222 682 W CB 2.096 31.578 29.460 0.037 0.000 1.349 682 W HN 0.761 nan 8.180 nan 0.000 0.536 683 D N 0.134 120.657 120.400 0.206 0.000 2.425 683 D HA -0.078 4.598 4.640 0.061 0.000 0.274 683 D C 1.643 177.987 176.300 0.074 0.000 1.242 683 D CA 0.231 54.291 54.000 0.099 0.000 1.060 683 D CB -0.208 40.570 40.800 -0.037 0.000 1.112 683 D HN 0.524 nan 8.370 nan 0.000 0.561 684 H N -1.468 117.651 119.070 0.081 0.000 2.457 684 H HA -0.037 4.556 4.556 0.061 0.000 0.294 684 H C 1.458 176.808 175.328 0.037 0.000 1.064 684 H CA 0.815 56.895 56.048 0.052 0.000 1.330 684 H CB -0.938 28.844 29.762 0.034 0.000 1.395 684 H HN 0.280 nan 8.280 nan 0.000 0.541 685 C N 0.752 119.850 119.300 -0.336 0.000 2.562 685 C HA 0.304 4.800 4.460 0.061 0.000 0.266 685 C C 1.905 176.845 174.990 -0.082 0.000 1.382 685 C CA 0.614 59.517 59.018 -0.191 0.000 1.742 685 C CB -0.791 26.789 27.740 -0.267 0.000 1.812 685 C HN 0.919 nan 8.230 nan 0.000 0.559 686 G N 1.236 110.027 108.800 -0.015 0.000 2.160 686 G HA2 -0.239 3.757 3.960 0.061 0.000 0.244 686 G HA3 -0.239 3.757 3.960 0.061 0.000 0.244 686 G C -0.080 174.926 174.900 0.176 0.000 1.022 686 G CA -0.281 44.844 45.100 0.042 0.000 0.741 686 G HN 0.620 nan 8.290 nan 0.000 0.508 687 R N -0.734 119.855 120.500 0.150 0.000 2.297 687 R HA 0.524 4.901 4.340 0.061 0.000 0.308 687 R C 0.288 176.725 176.300 0.228 0.000 1.029 687 R CA -0.945 55.241 56.100 0.143 0.000 0.929 687 R CB 1.278 31.576 30.300 -0.003 0.000 1.046 687 R HN 0.210 nan 8.270 nan 0.000 0.461 688 L N 3.928 125.258 121.223 0.179 0.000 2.433 688 L HA 0.019 4.396 4.340 0.061 0.000 0.275 688 L C 0.749 177.639 176.870 0.034 0.000 1.128 688 L CA 0.432 55.220 54.840 -0.087 0.000 0.875 688 L CB 0.697 42.693 42.059 -0.106 0.000 1.171 688 L HN 0.702 nan 8.230 nan 0.000 0.463 689 M N 2.023 121.606 119.600 -0.028 0.000 2.334 689 M HA 0.060 4.577 4.480 0.061 0.000 0.266 689 M C 1.044 177.347 176.300 0.005 0.000 1.082 689 M CA 0.824 56.154 55.300 0.051 0.000 1.141 689 M CB -1.236 31.370 32.600 0.010 0.000 1.380 689 M HN 0.707 nan 8.290 nan 0.000 0.440 690 T N -0.308 114.204 114.554 -0.071 0.000 3.364 690 T HA 0.234 4.620 4.350 0.061 0.000 0.323 690 T C 0.469 175.141 174.700 -0.047 0.000 1.323 690 T CA -0.523 61.540 62.100 -0.062 0.000 1.073 690 T CB -0.850 68.025 68.868 0.013 0.000 1.150 690 T HN 0.515 nan 8.240 nan 0.000 0.727 691 H N 0.647 119.697 119.070 -0.034 0.000 2.567 691 H HA 0.665 5.258 4.556 0.061 0.000 0.267 691 H C -0.189 175.136 175.328 -0.005 0.000 1.148 691 H CA -0.759 55.260 56.048 -0.049 0.000 1.031 691 H CB -0.024 29.707 29.762 -0.053 0.000 1.691 691 H HN 0.652 nan 8.280 nan 0.000 0.588 692 A N 1.379 124.145 122.820 -0.089 0.000 2.609 692 A HA 0.491 4.848 4.320 0.061 0.000 0.291 692 A C -2.339 175.346 177.584 0.169 0.000 1.096 692 A CA -1.500 50.546 52.037 0.015 0.000 0.684 692 A CB 1.675 20.626 19.000 -0.083 0.000 1.282 692 A HN -0.040 nan 8.150 nan 0.000 0.412 693 P HA -0.111 nan 4.420 nan 0.000 0.222 693 P C 1.533 178.893 177.300 0.100 0.000 1.147 693 P CA 2.041 65.315 63.100 0.289 0.000 0.790 693 P CB 0.154 32.044 31.700 0.317 0.000 0.780 694 S N -1.374 114.360 115.700 0.056 0.000 2.453 694 S HA -0.085 4.422 4.470 0.061 0.000 0.231 694 S C 1.635 176.226 174.600 -0.013 0.000 1.005 694 S CA 1.706 59.910 58.200 0.007 0.000 0.949 694 S CB -1.515 61.681 63.200 -0.006 0.000 0.774 694 S HN 0.285 nan 8.310 nan 0.000 0.510 695 T N -3.512 111.038 114.554 -0.006 0.000 2.955 695 T HA 0.281 4.667 4.350 0.061 0.000 0.251 695 T C -0.013 174.712 174.700 0.043 0.000 1.002 695 T CA -0.346 61.743 62.100 -0.018 0.000 0.970 695 T CB -0.360 68.459 68.868 -0.082 0.000 1.091 695 T HN 0.375 nan 8.240 nan 0.000 0.495 696 Y N 1.928 122.205 120.300 -0.037 0.000 2.331 696 Y HA 0.635 5.221 4.550 0.061 0.000 0.338 696 Y C -0.846 175.017 175.900 -0.061 0.000 0.976 696 Y CA -1.411 56.676 58.100 -0.022 0.000 1.137 696 Y CB 1.257 39.748 38.460 0.052 0.000 1.172 696 Y HN -0.211 nan 8.280 nan 0.000 0.478 697 K N 7.846 127.921 120.400 -0.542 0.000 2.432 697 K HA 0.301 4.658 4.320 0.061 0.000 0.226 697 K C -0.632 175.703 176.600 -0.441 0.000 1.057 697 K CA -0.313 55.744 56.287 -0.384 0.000 1.034 697 K CB -0.372 31.974 32.500 -0.256 0.000 1.561 697 K HN 0.708 nan 8.250 nan 0.000 0.492 698 I N -1.299 119.029 120.570 -0.403 0.000 3.004 698 I HA 0.420 4.626 4.170 0.061 0.000 0.287 698 I C -1.845 174.139 176.117 -0.222 0.000 1.144 698 I CA -2.266 58.852 61.300 -0.303 0.000 1.353 698 I CB 0.270 38.075 38.000 -0.324 0.000 1.417 698 I HN 0.235 nan 8.210 nan 0.000 0.602 699 P HA 0.172 nan 4.420 nan 0.000 0.267 699 P C -0.693 176.548 177.300 -0.098 0.000 1.209 699 P CA 0.046 63.071 63.100 -0.125 0.000 0.763 699 P CB 0.661 32.294 31.700 -0.111 0.000 0.816 700 A N 3.137 125.917 122.820 -0.068 0.000 2.264 700 A HA 0.331 4.687 4.320 0.061 0.000 0.304 700 A C 1.031 178.644 177.584 0.048 0.000 1.100 700 A CA -0.512 51.521 52.037 -0.006 0.000 0.839 700 A CB -0.172 18.829 19.000 0.001 0.000 1.121 700 A HN 0.542 nan 8.150 nan 0.000 0.496 701 F N 1.620 121.555 119.950 -0.025 0.000 2.039 701 F HA -0.352 4.211 4.527 0.060 0.000 0.296 701 F C 2.742 178.539 175.800 -0.006 0.000 1.119 701 F CA 3.378 61.376 58.000 -0.005 0.000 1.211 701 F CB -0.153 38.848 39.000 0.001 0.000 0.956 701 F HN 0.567 nan 8.300 nan 0.000 0.496 702 S N -1.001 114.862 115.700 0.272 0.000 2.547 702 S HA -0.137 4.370 4.470 0.061 0.000 0.235 702 S C 1.420 176.039 174.600 0.031 0.000 0.980 702 S CA 1.061 59.360 58.200 0.166 0.000 0.941 702 S CB -0.575 62.705 63.200 0.133 0.000 0.763 702 S HN 0.455 nan 8.310 nan 0.000 0.532 703 D N 2.291 122.684 120.400 -0.012 0.000 2.348 703 D HA -0.016 4.661 4.640 0.061 0.000 0.216 703 D C 0.990 177.232 176.300 -0.096 0.000 0.970 703 D CA 0.325 54.291 54.000 -0.057 0.000 0.889 703 D CB -0.203 40.554 40.800 -0.072 0.000 0.912 703 D HN 0.740 nan 8.370 nan 0.000 0.524 704 R N 1.360 121.788 120.500 -0.119 0.000 2.623 704 R HA 0.222 4.599 4.340 0.061 0.000 0.271 704 R C -2.558 173.624 176.300 -0.196 0.000 1.043 704 R CA -1.129 54.867 56.100 -0.174 0.000 1.083 704 R CB -0.714 29.481 30.300 -0.174 0.000 0.974 704 R HN -0.216 nan 8.270 nan 0.000 0.436 705 P HA -0.049 nan 4.420 nan 0.000 0.262 705 P C 0.090 177.292 177.300 -0.164 0.000 1.182 705 P CA -0.046 62.864 63.100 -0.316 0.000 0.761 705 P CB 0.546 31.867 31.700 -0.631 0.000 0.795 706 R N 2.903 123.350 120.500 -0.089 0.000 2.083 706 R HA -0.035 4.341 4.340 0.061 0.000 0.237 706 R C 0.752 177.053 176.300 0.002 0.000 1.137 706 R CA 1.331 57.414 56.100 -0.029 0.000 0.951 706 R CB -0.519 29.764 30.300 -0.027 0.000 0.851 706 R HN 0.506 nan 8.270 nan 0.000 0.434 707 I N 0.939 121.504 120.570 -0.008 0.000 2.328 707 I HA 0.205 4.412 4.170 0.061 0.000 0.287 707 I C -0.540 175.621 176.117 0.074 0.000 1.012 707 I CA -0.255 61.065 61.300 0.033 0.000 1.195 707 I CB 1.001 39.010 38.000 0.014 0.000 1.350 707 I HN -0.101 nan 8.210 nan 0.000 0.464 708 F N 6.633 126.547 119.950 -0.061 0.000 2.325 708 F HA 0.434 4.997 4.527 0.061 0.000 0.369 708 F C -0.337 175.413 175.800 -0.084 0.000 1.095 708 F CA -0.990 56.953 58.000 -0.095 0.000 1.082 708 F CB 0.723 39.670 39.000 -0.087 0.000 1.289 708 F HN 0.477 nan 8.300 nan 0.000 0.462 709 N N 5.480 124.299 118.700 0.199 0.000 2.476 709 N HA 0.339 5.115 4.740 0.061 0.000 0.257 709 N C -1.106 174.388 175.510 -0.027 0.000 0.970 709 N CA -0.307 52.762 53.050 0.032 0.000 0.938 709 N CB 2.431 40.937 38.487 0.032 0.000 1.144 709 N HN 0.193 nan 8.380 nan 0.000 0.500 710 V N 1.059 120.896 119.914 -0.129 0.000 2.444 710 V HA 0.817 4.974 4.120 0.061 0.000 0.294 710 V C -0.263 175.795 176.094 -0.059 0.000 1.022 710 V CA -0.812 61.413 62.300 -0.125 0.000 0.850 710 V CB 1.370 33.037 31.823 -0.260 0.000 0.992 710 V HN 0.752 nan 8.190 nan 0.000 0.426 711 A N 5.339 128.160 122.820 0.002 0.000 2.414 711 A HA 0.880 5.237 4.320 0.061 0.000 0.306 711 A C -1.072 176.563 177.584 0.084 0.000 1.054 711 A CA -0.613 51.443 52.037 0.031 0.000 0.724 711 A CB 1.326 20.350 19.000 0.039 0.000 1.267 711 A HN 0.776 nan 8.150 nan 0.000 0.418 712 L N 2.470 123.740 121.223 0.078 0.000 2.305 712 L HA 0.240 4.616 4.340 0.061 0.000 0.281 712 L C -0.115 176.849 176.870 0.156 0.000 1.085 712 L CA -0.405 54.509 54.840 0.123 0.000 0.813 712 L CB 0.998 43.102 42.059 0.076 0.000 1.157 712 L HN 0.815 nan 8.230 nan 0.000 0.436 713 W N 5.369 126.678 121.300 0.014 0.000 2.507 713 W HA 0.084 4.780 4.660 0.060 0.000 0.334 713 W C -0.597 175.920 176.519 -0.004 0.000 1.165 713 W CA -0.431 56.912 57.345 -0.004 0.000 1.460 713 W CB 0.921 30.369 29.460 -0.021 0.000 1.404 713 W HN 0.506 nan 8.180 nan 0.000 0.435 714 D N 5.120 125.343 120.400 -0.295 0.000 2.479 714 D HA 0.117 4.794 4.640 0.061 0.000 0.218 714 D C -0.802 175.310 176.300 -0.313 0.000 1.131 714 D CA 0.357 54.231 54.000 -0.210 0.000 0.916 714 D CB 0.430 41.139 40.800 -0.152 0.000 1.022 714 D HN 0.411 nan 8.370 nan 0.000 0.515 715 Q N 3.595 123.280 119.800 -0.192 0.000 2.296 715 Q HA 0.309 4.686 4.340 0.061 0.000 0.254 715 Q C -2.657 173.342 176.000 -0.002 0.000 0.936 715 Q CA -2.068 53.653 55.803 -0.138 0.000 0.834 715 Q CB 2.047 30.690 28.738 -0.158 0.000 1.340 715 Q HN 0.207 nan 8.270 nan 0.000 0.428 716 P HA -0.059 nan 4.420 nan 0.000 0.266 716 P C -0.640 176.659 177.300 -0.001 0.000 1.193 716 P CA 0.070 63.166 63.100 -0.007 0.000 0.770 716 P CB 0.513 32.206 31.700 -0.012 0.000 0.836 717 N N 1.855 120.530 118.700 -0.041 0.000 2.513 717 N HA 0.048 4.824 4.740 0.061 0.000 0.268 717 N C 1.164 176.635 175.510 -0.065 0.000 1.180 717 N CA 0.080 53.077 53.050 -0.090 0.000 0.948 717 N CB 0.381 38.714 38.487 -0.258 0.000 1.083 717 N HN 0.187 nan 8.380 nan 0.000 0.455 718 R N 0.892 121.373 120.500 -0.031 0.000 2.096 718 R HA -0.027 4.350 4.340 0.061 0.000 0.235 718 R C -0.010 176.275 176.300 -0.025 0.000 1.127 718 R CA 0.888 56.983 56.100 -0.007 0.000 0.968 718 R CB 0.040 30.358 30.300 0.030 0.000 0.861 718 R HN 0.615 nan 8.270 nan 0.000 0.440 719 E N 1.319 121.484 120.200 -0.059 0.000 2.373 719 E HA 0.013 4.399 4.350 0.061 0.000 0.263 719 E C -0.524 176.030 176.600 -0.077 0.000 1.073 719 E CA 0.105 56.476 56.400 -0.048 0.000 0.894 719 E CB 0.762 30.446 29.700 -0.026 0.000 1.008 719 E HN 0.167 nan 8.360 nan 0.000 0.420 720 E N 1.326 121.506 120.200 -0.034 0.000 1.972 720 E HA 0.060 4.447 4.350 0.061 0.000 0.292 720 E C -0.140 176.427 176.600 -0.056 0.000 1.193 720 E CA -0.157 56.216 56.400 -0.045 0.000 1.228 720 E CB -0.135 29.554 29.700 -0.018 0.000 1.167 720 E HN 0.353 nan 8.360 nan 0.000 0.479 721 T N -1.174 113.314 114.554 -0.109 0.000 2.918 721 T HA 0.288 4.674 4.350 0.061 0.000 0.283 721 T C 0.488 175.099 174.700 -0.148 0.000 1.001 721 T CA -1.041 60.982 62.100 -0.128 0.000 1.041 721 T CB 1.154 69.915 68.868 -0.179 0.000 1.028 721 T HN 0.203 nan 8.240 nan 0.000 0.511 722 I N 2.819 123.286 120.570 -0.172 0.000 3.085 722 I HA 0.040 4.246 4.170 0.061 0.000 0.302 722 I C -0.007 176.105 176.117 -0.008 0.000 1.234 722 I CA -0.079 61.127 61.300 -0.157 0.000 1.396 722 I CB -1.552 36.383 38.000 -0.108 0.000 1.385 722 I HN 0.761 nan 8.210 nan 0.000 0.533 723 F N 6.667 126.567 119.950 -0.083 0.000 3.048 723 F HA -0.314 4.249 4.527 0.060 0.000 0.269 723 F C 1.091 176.848 175.800 -0.072 0.000 0.960 723 F CA 0.752 58.712 58.000 -0.067 0.000 0.909 723 F CB -1.141 37.824 39.000 -0.060 0.000 0.837 723 F HN 0.644 nan 8.300 nan 0.000 0.768 724 R N -1.940 118.562 120.500 0.003 0.000 3.627 724 R HA -0.221 4.156 4.340 0.061 0.000 0.281 724 R C 0.580 176.853 176.300 -0.046 0.000 1.140 724 R CA 0.997 57.073 56.100 -0.039 0.000 0.761 724 R CB -2.532 27.758 30.300 -0.016 0.000 1.181 724 R HN 0.635 nan 8.270 nan 0.000 0.472 725 S N -0.686 114.993 115.700 -0.036 0.000 2.655 725 S HA 0.638 5.144 4.470 0.061 0.000 0.265 725 S C 0.313 174.855 174.600 -0.096 0.000 1.240 725 S CA -0.675 57.510 58.200 -0.026 0.000 0.986 725 S CB 2.304 65.514 63.200 0.018 0.000 0.985 725 S HN 0.188 nan 8.310 nan 0.000 0.562 726 K N -0.146 120.254 120.400 0.000 0.000 2.340 726 K HA 0.661 5.017 4.320 0.061 0.000 0.244 726 K C -0.486 176.231 176.600 0.195 0.000 0.973 726 K CA -0.928 55.427 56.287 0.113 0.000 0.828 726 K CB 2.108 34.723 32.500 0.191 0.000 1.226 726 K HN 0.808 nan 8.250 nan 0.000 0.437 727 A N 0.876 123.876 122.820 0.301 0.000 2.462 727 A HA 0.188 4.544 4.320 0.061 0.000 0.243 727 A C 0.448 178.094 177.584 0.104 0.000 1.076 727 A CA -0.131 51.985 52.037 0.132 0.000 0.773 727 A CB 0.571 19.602 19.000 0.051 0.000 1.010 727 A HN 0.486 nan 8.150 nan 0.000 0.493 728 V N 2.521 122.458 119.914 0.039 0.000 3.337 728 V HA 0.236 4.392 4.120 0.061 0.000 0.307 728 V C 1.540 177.595 176.094 -0.065 0.000 1.505 728 V CA 0.986 63.301 62.300 0.024 0.000 1.072 728 V CB 0.038 31.891 31.823 0.051 0.000 0.929 728 V HN 1.103 nan 8.190 nan 0.000 0.455 729 G N 0.105 108.852 108.800 -0.090 0.000 2.404 729 G HA2 -0.151 3.846 3.960 0.061 0.000 0.215 729 G HA3 -0.151 3.846 3.960 0.061 0.000 0.215 729 G C 1.191 176.003 174.900 -0.146 0.000 1.174 729 G CA 1.318 46.355 45.100 -0.104 0.000 0.780 729 G HN 0.578 nan 8.290 nan 0.000 0.537 730 E N -0.246 119.774 120.200 -0.299 0.000 2.364 730 E HA 0.048 4.434 4.350 0.061 0.000 0.203 730 E C -0.549 175.668 176.600 -0.639 0.000 0.888 730 E CA -0.248 55.871 56.400 -0.468 0.000 0.989 730 E CB 0.428 29.734 29.700 -0.656 0.000 0.985 730 E HN 0.247 nan 8.360 nan 0.000 0.499 731 P HA -0.122 nan 4.420 nan 0.000 0.216 731 P C -1.782 175.444 177.300 -0.122 0.000 1.150 731 P CA 1.658 64.502 63.100 -0.427 0.000 0.843 731 P CB -0.806 30.878 31.700 -0.027 0.000 0.787 732 P HA -0.073 nan 4.420 nan 0.000 0.229 732 P C 1.312 178.615 177.300 0.005 0.000 1.160 732 P CA 0.555 63.531 63.100 -0.206 0.000 0.777 732 P CB -0.569 30.927 31.700 -0.339 0.000 0.814 733 F N 0.613 120.492 119.950 -0.118 0.000 2.202 733 F HA -0.171 4.393 4.527 0.061 0.000 0.301 733 F C 1.509 177.293 175.800 -0.027 0.000 1.082 733 F CA 1.337 59.291 58.000 -0.076 0.000 1.313 733 F CB -0.543 38.377 39.000 -0.134 0.000 1.024 733 F HN -0.240 nan 8.300 nan 0.000 0.495 734 L N -0.080 121.230 121.223 0.145 0.000 2.551 734 L HA -0.091 4.286 4.340 0.061 0.000 0.228 734 L C 1.887 178.820 176.870 0.105 0.000 1.153 734 L CA 0.790 55.719 54.840 0.148 0.000 0.851 734 L CB -0.677 41.498 42.059 0.192 0.000 0.959 734 L HN 0.187 nan 8.230 nan 0.000 0.451 735 L N -0.963 120.318 121.223 0.097 0.000 2.291 735 L HA -0.054 4.322 4.340 0.061 0.000 0.214 735 L C 2.439 179.403 176.870 0.156 0.000 1.120 735 L CA 0.936 55.883 54.840 0.178 0.000 0.799 735 L CB -0.919 41.299 42.059 0.265 0.000 0.925 735 L HN 0.379 nan 8.230 nan 0.000 0.446 736 G N 0.115 108.852 108.800 -0.104 0.000 2.535 736 G HA2 -0.175 3.822 3.960 0.061 0.000 0.218 736 G HA3 -0.175 3.822 3.960 0.061 0.000 0.218 736 G C 1.545 176.367 174.900 -0.131 0.000 1.122 736 G CA 0.262 45.146 45.100 -0.360 0.000 0.769 736 G HN 0.328 nan 8.290 nan 0.000 0.549 737 I N 1.814 122.390 120.570 0.011 0.000 2.361 737 I HA -0.202 4.005 4.170 0.061 0.000 0.251 737 I C 2.996 179.194 176.117 0.136 0.000 1.133 737 I CA 1.337 62.691 61.300 0.089 0.000 1.413 737 I CB -0.126 37.957 38.000 0.138 0.000 1.073 737 I HN 0.296 nan 8.210 nan 0.000 0.424 738 S N 1.127 116.908 115.700 0.135 0.000 2.442 738 S HA -0.085 4.421 4.470 0.061 0.000 0.236 738 S C 2.138 176.809 174.600 0.119 0.000 1.007 738 S CA 0.764 59.049 58.200 0.141 0.000 0.965 738 S CB -0.379 62.911 63.200 0.150 0.000 0.773 738 S HN 0.417 nan 8.310 nan 0.000 0.504 739 A N 1.036 123.910 122.820 0.089 0.000 1.929 739 A HA 0.157 4.514 4.320 0.061 0.000 0.216 739 A C 1.867 179.486 177.584 0.058 0.000 1.176 739 A CA 1.079 53.141 52.037 0.042 0.000 0.628 739 A CB -0.895 18.063 19.000 -0.069 0.000 0.816 739 A HN 0.556 nan 8.150 nan 0.000 0.444 740 F N -0.212 119.693 119.950 -0.074 0.000 2.259 740 F HA -0.001 4.563 4.527 0.061 0.000 0.298 740 F C 1.637 177.426 175.800 -0.018 0.000 1.088 740 F CA 0.925 58.880 58.000 -0.075 0.000 1.358 740 F CB -0.011 38.920 39.000 -0.115 0.000 1.040 740 F HN 0.122 nan 8.300 nan 0.000 0.505 741 L N -0.056 121.197 121.223 0.050 0.000 2.240 741 L HA 0.071 4.447 4.340 0.061 0.000 0.211 741 L C 2.557 179.441 176.870 0.023 0.000 1.106 741 L CA 1.506 56.363 54.840 0.029 0.000 0.793 741 L CB -1.615 40.512 42.059 0.114 0.000 0.927 741 L HN 0.190 nan 8.230 nan 0.000 0.446 742 A N -1.191 121.633 122.820 0.008 0.000 1.897 742 A HA -0.114 4.243 4.320 0.061 0.000 0.215 742 A C 2.141 179.674 177.584 -0.086 0.000 1.181 742 A CA 1.032 53.062 52.037 -0.011 0.000 0.620 742 A CB -0.606 18.401 19.000 0.012 0.000 0.821 742 A HN 0.258 nan 8.150 nan 0.000 0.443 743 L N -0.292 120.855 121.223 -0.127 0.000 2.042 743 L HA -0.184 4.192 4.340 0.061 0.000 0.210 743 L C 2.398 179.115 176.870 -0.255 0.000 1.076 743 L CA 2.514 57.242 54.840 -0.186 0.000 0.749 743 L CB -1.235 40.699 42.059 -0.208 0.000 0.893 743 L HN 0.752 nan 8.230 nan 0.000 0.432 744 H N -1.191 117.626 119.070 -0.421 0.000 2.353 744 H HA -0.177 4.415 4.556 0.061 0.000 0.300 744 H C 1.987 177.149 175.328 -0.276 0.000 1.090 744 H CA 2.081 57.867 56.048 -0.436 0.000 1.327 744 H CB -0.163 29.287 29.762 -0.519 0.000 1.383 744 H HN 0.386 nan 8.280 nan 0.000 0.508 745 D N -0.088 120.053 120.400 -0.432 0.000 2.144 745 D HA -0.116 4.561 4.640 0.061 0.000 0.199 745 D C 2.251 178.385 176.300 -0.276 0.000 0.984 745 D CA 1.423 55.203 54.000 -0.365 0.000 0.834 745 D CB -0.492 40.237 40.800 -0.118 0.000 0.955 745 D HN 0.539 nan 8.370 nan 0.000 0.465 746 A N -0.406 122.288 122.820 -0.209 0.000 1.940 746 A HA -0.204 4.152 4.320 0.061 0.000 0.219 746 A C 2.515 180.001 177.584 -0.164 0.000 1.176 746 A CA 1.608 53.558 52.037 -0.144 0.000 0.631 746 A CB -0.989 17.944 19.000 -0.112 0.000 0.814 746 A HN 0.507 nan 8.150 nan 0.000 0.446 747 C N -1.099 118.057 119.300 -0.241 0.000 2.450 747 C HA 0.181 4.677 4.460 0.061 0.000 0.279 747 C C 3.135 177.986 174.990 -0.233 0.000 1.335 747 C CA 0.381 59.262 59.018 -0.228 0.000 1.749 747 C CB -1.316 26.262 27.740 -0.270 0.000 1.963 747 C HN 0.705 nan 8.230 nan 0.000 0.501 748 A N 0.267 122.892 122.820 -0.325 0.000 2.225 748 A HA 0.221 4.577 4.320 0.061 0.000 0.215 748 A C 2.076 179.575 177.584 -0.143 0.000 1.164 748 A CA 1.596 53.481 52.037 -0.252 0.000 0.710 748 A CB -0.396 18.412 19.000 -0.320 0.000 0.780 748 A HN 0.597 nan 8.150 nan 0.000 0.473 749 A N -2.155 120.590 122.820 -0.125 0.000 2.308 749 A HA 0.218 4.574 4.320 0.061 0.000 0.217 749 A C 1.686 179.233 177.584 -0.063 0.000 1.216 749 A CA 0.910 52.902 52.037 -0.075 0.000 0.864 749 A CB -0.570 18.402 19.000 -0.047 0.000 0.902 749 A HN 0.554 nan 8.150 nan 0.000 0.499 750 C N -1.436 117.819 119.300 -0.076 0.000 2.611 750 C HA 0.539 5.036 4.460 0.061 0.000 0.282 750 C C 1.435 176.387 174.990 -0.063 0.000 1.321 750 C CA 0.205 59.186 59.018 -0.062 0.000 1.747 750 C CB -0.468 27.236 27.740 -0.060 0.000 2.124 750 C HN 0.663 nan 8.230 nan 0.000 0.531 751 G N 0.211 108.966 108.800 -0.075 0.000 2.623 751 G HA2 0.482 4.478 3.960 0.061 0.000 0.290 751 G HA3 0.482 4.478 3.960 0.061 0.000 0.290 751 G C -2.405 172.423 174.900 -0.120 0.000 1.437 751 G CA -0.256 44.786 45.100 -0.096 0.000 0.798 751 G HN -0.163 nan 8.290 nan 0.000 0.488 752 P HA 0.023 nan 4.420 nan 0.000 0.229 752 P C 0.103 177.338 177.300 -0.109 0.000 1.160 752 P CA 0.544 63.530 63.100 -0.191 0.000 0.777 752 P CB 0.113 31.648 31.700 -0.275 0.000 0.814 753 H N -0.704 118.394 119.070 0.046 0.000 2.615 753 H HA 0.043 4.636 4.556 0.061 0.000 0.363 753 H C 0.128 175.531 175.328 0.124 0.000 1.148 753 H CA -0.782 55.320 56.048 0.090 0.000 1.401 753 H CB 0.258 30.059 29.762 0.066 0.000 1.461 753 H HN 0.208 nan 8.280 nan 0.000 0.588 754 W N 4.774 126.151 121.300 0.127 0.000 2.381 754 W HA 0.039 4.735 4.660 0.061 0.000 0.321 754 W C -2.111 174.430 176.519 0.036 0.000 1.407 754 W CA -1.673 55.690 57.345 0.030 0.000 1.274 754 W CB 0.547 29.987 29.460 -0.034 0.000 1.310 754 W HN 0.496 nan 8.180 nan 0.000 0.551 755 P HA -0.156 nan 4.420 nan 0.000 0.220 755 P C 0.002 176.974 177.300 -0.547 0.000 1.152 755 P CA 1.308 64.134 63.100 -0.456 0.000 0.812 755 P CB 0.087 31.524 31.700 -0.438 0.000 0.792 756 D N -1.422 118.304 120.400 -1.123 0.000 2.737 756 D HA -0.164 4.512 4.640 0.061 0.000 0.238 756 D C -0.571 175.602 176.300 -0.211 0.000 1.157 756 D CA 0.177 53.846 54.000 -0.552 0.000 0.694 756 D CB -1.191 39.594 40.800 -0.025 0.000 1.021 756 D HN 0.020 nan 8.370 nan 0.000 0.420 757 L N 1.599 122.656 121.223 -0.276 0.000 2.410 757 L HA 0.236 4.613 4.340 0.061 0.000 0.273 757 L C 0.444 177.429 176.870 0.191 0.000 1.152 757 L CA 0.370 55.145 54.840 -0.108 0.000 0.855 757 L CB 0.893 42.772 42.059 -0.299 0.000 1.129 757 L HN 0.076 nan 8.230 nan 0.000 0.463 758 Q N 3.565 123.518 119.800 0.256 0.000 2.193 758 Q HA 0.674 5.051 4.340 0.061 0.000 0.246 758 Q C -0.691 175.534 176.000 0.374 0.000 0.959 758 Q CA -0.475 55.547 55.803 0.364 0.000 0.904 758 Q CB 1.595 30.460 28.738 0.211 0.000 1.238 758 Q HN 0.813 nan 8.270 nan 0.000 0.469 759 A N 2.208 125.119 122.820 0.152 0.000 2.317 759 A HA 0.674 5.030 4.320 0.061 0.000 0.327 759 A C -2.279 175.224 177.584 -0.134 0.000 1.178 759 A CA -1.522 50.409 52.037 -0.176 0.000 0.817 759 A CB 0.579 19.221 19.000 -0.596 0.000 1.189 759 A HN 0.405 nan 8.150 nan 0.000 0.489 760 P HA 0.283 nan 4.420 nan 0.000 0.275 760 P C -0.176 177.122 177.300 -0.004 0.000 1.228 760 P CA -0.088 62.909 63.100 -0.172 0.000 0.786 760 P CB 1.248 32.849 31.700 -0.164 0.000 0.927 761 A N 2.381 125.256 122.820 0.091 0.000 3.077 761 A HA 0.266 4.623 4.320 0.061 0.000 0.255 761 A C 0.981 178.573 177.584 0.015 0.000 1.728 761 A CA -0.226 51.883 52.037 0.119 0.000 1.383 761 A CB -1.611 17.499 19.000 0.183 0.000 1.097 761 A HN 0.609 nan 8.150 nan 0.000 0.634 762 T N -1.515 113.032 114.554 -0.010 0.000 2.855 762 T HA 0.203 4.590 4.350 0.061 0.000 0.314 762 T C -1.441 173.243 174.700 -0.027 0.000 1.077 762 T CA -0.882 61.198 62.100 -0.034 0.000 1.095 762 T CB 0.365 69.211 68.868 -0.037 0.000 0.987 762 T HN 0.192 nan 8.240 nan 0.000 0.546 763 P HA -0.194 nan 4.420 nan 0.000 0.218 763 P C 1.480 178.765 177.300 -0.025 0.000 1.154 763 P CA 1.545 64.626 63.100 -0.032 0.000 0.872 763 P CB 0.044 31.725 31.700 -0.033 0.000 0.790 764 E N -0.659 119.529 120.200 -0.019 0.000 2.058 764 E HA -0.224 4.163 4.350 0.061 0.000 0.194 764 E C 1.980 178.574 176.600 -0.009 0.000 0.997 764 E CA 1.423 57.816 56.400 -0.012 0.000 0.801 764 E CB -0.596 29.100 29.700 -0.006 0.000 0.746 764 E HN 0.091 nan 8.360 nan 0.000 0.450 765 A N 0.318 123.136 122.820 -0.003 0.000 1.933 765 A HA -0.134 4.222 4.320 0.061 0.000 0.218 765 A C 2.376 179.951 177.584 -0.016 0.000 1.175 765 A CA 1.425 53.467 52.037 0.007 0.000 0.628 765 A CB -0.540 18.479 19.000 0.032 0.000 0.814 765 A HN 0.235 nan 8.150 nan 0.000 0.444 766 V N -0.445 119.450 119.914 -0.031 0.000 2.307 766 V HA -0.221 3.935 4.120 0.061 0.000 0.245 766 V C 2.464 178.524 176.094 -0.056 0.000 1.045 766 V CA 1.889 64.154 62.300 -0.059 0.000 1.024 766 V CB -0.778 31.009 31.823 -0.061 0.000 0.651 766 V HN 0.576 nan 8.190 nan 0.000 0.449 767 L N 0.818 122.017 121.223 -0.039 0.000 2.083 767 L HA -0.094 4.282 4.340 0.061 0.000 0.209 767 L C 2.467 179.318 176.870 -0.031 0.000 1.083 767 L CA 2.242 57.063 54.840 -0.033 0.000 0.752 767 L CB -0.856 41.189 42.059 -0.022 0.000 0.899 767 L HN 0.234 nan 8.230 nan 0.000 0.433 768 A N -0.633 122.173 122.820 -0.025 0.000 1.908 768 A HA -0.155 4.202 4.320 0.061 0.000 0.218 768 A C 2.427 179.990 177.584 -0.035 0.000 1.181 768 A CA 1.928 53.953 52.037 -0.019 0.000 0.627 768 A CB -1.089 17.909 19.000 -0.004 0.000 0.818 768 A HN 0.563 nan 8.150 nan 0.000 0.445 769 A N -0.720 122.063 122.820 -0.061 0.000 1.897 769 A HA 0.090 4.447 4.320 0.061 0.000 0.215 769 A C 2.205 179.728 177.584 -0.102 0.000 1.181 769 A CA 1.481 53.455 52.037 -0.105 0.000 0.620 769 A CB -0.952 17.955 19.000 -0.154 0.000 0.821 769 A HN 0.368 nan 8.150 nan 0.000 0.443 770 V N 0.798 120.660 119.914 -0.087 0.000 2.250 770 V HA -0.343 3.814 4.120 0.061 0.000 0.250 770 V C 2.709 178.778 176.094 -0.042 0.000 1.060 770 V CA 2.413 64.671 62.300 -0.071 0.000 1.030 770 V CB -0.877 30.912 31.823 -0.057 0.000 0.643 770 V HN 0.527 nan 8.190 nan 0.000 0.445 771 R N -0.315 120.168 120.500 -0.029 0.000 2.096 771 R HA -0.126 4.251 4.340 0.061 0.000 0.235 771 R C 2.457 178.763 176.300 0.008 0.000 1.127 771 R CA 1.336 57.431 56.100 -0.008 0.000 0.968 771 R CB -0.461 29.835 30.300 -0.007 0.000 0.861 771 R HN 0.533 nan 8.270 nan 0.000 0.440 772 R N 0.549 121.046 120.500 -0.005 0.000 2.073 772 R HA -0.065 4.312 4.340 0.061 0.000 0.234 772 R C 2.410 178.753 176.300 0.072 0.000 1.134 772 R CA 1.431 57.537 56.100 0.009 0.000 0.952 772 R CB -0.448 29.838 30.300 -0.022 0.000 0.850 772 R HN 0.195 nan 8.270 nan 0.000 0.433 773 A N 1.411 124.249 122.820 0.030 0.000 1.908 773 A HA -0.198 4.159 4.320 0.061 0.000 0.218 773 A C 1.840 179.473 177.584 0.082 0.000 1.181 773 A CA 1.461 53.531 52.037 0.054 0.000 0.627 773 A CB -0.333 18.634 19.000 -0.054 0.000 0.818 773 A HN 0.340 nan 8.150 nan 0.000 0.445 774 E N -1.807 118.425 120.200 0.053 0.000 2.347 774 E HA 0.173 4.560 4.350 0.061 0.000 0.196 774 E C 1.164 177.838 176.600 0.124 0.000 1.008 774 E CA 0.348 56.775 56.400 0.045 0.000 0.852 774 E CB -0.153 29.554 29.700 0.012 0.000 0.783 774 E HN 0.791 nan 8.360 nan 0.000 0.505 775 G N 1.898 110.823 108.800 0.208 0.000 2.132 775 G HA2 -0.301 3.695 3.960 0.061 0.000 0.234 775 G HA3 -0.301 3.695 3.960 0.061 0.000 0.234 775 G C -0.056 174.889 174.900 0.075 0.000 0.989 775 G CA -0.164 45.058 45.100 0.204 0.000 0.676 775 G HN 0.119 nan 8.290 nan 0.000 0.522 776 R N 0.414 120.942 120.500 0.047 0.000 2.198 776 R HA 0.627 5.004 4.340 0.061 0.000 0.339 776 R C 1.106 177.413 176.300 0.011 0.000 1.020 776 R CA 0.164 56.278 56.100 0.023 0.000 0.864 776 R CB 1.040 31.349 30.300 0.015 0.000 1.105 776 R HN 1.522 nan 8.270 nan 0.000 0.463 777 A N 0.000 122.824 122.820 0.006 0.000 2.254 777 A HA 0.000 4.357 4.320 0.061 0.000 0.244 777 A CA 0.000 52.038 52.037 0.002 0.000 0.836 777 A CB 0.000 19.002 19.000 0.004 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486