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_B 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 0.000 174.484 174.600 -0.193 0.000 1.055 2 S CA 0.000 58.111 58.200 -0.148 0.000 1.107 2 S CB 0.000 63.137 63.200 -0.105 0.000 0.593 3 V N 2.006 121.733 119.914 -0.311 0.000 2.557 3 V HA 0.357 4.503 4.120 0.043 0.000 0.301 3 V C 1.594 177.526 176.094 -0.270 0.000 1.026 3 V CA 2.084 64.150 62.300 -0.389 0.000 1.137 3 V CB 0.345 31.657 31.823 -0.852 0.000 0.917 3 V HN 0.914 nan 8.190 nan 0.000 0.484 4 G N 4.239 112.930 108.800 -0.181 0.000 2.279 4 G HA2 -0.199 3.787 3.960 0.043 0.000 0.223 4 G HA3 -0.199 3.787 3.960 0.043 0.000 0.223 4 G C 0.283 175.131 174.900 -0.085 0.000 1.015 4 G CA -0.080 44.950 45.100 -0.118 0.000 0.621 4 G HN 0.593 nan 8.290 nan 0.000 0.506 5 K N 2.083 122.429 120.400 -0.090 0.000 2.350 5 K HA 0.354 4.700 4.320 0.043 0.000 0.279 5 K C -2.120 174.449 176.600 -0.052 0.000 1.027 5 K CA -0.986 55.262 56.287 -0.066 0.000 0.969 5 K CB 1.373 33.833 32.500 -0.067 0.000 0.954 5 K HN 0.087 nan 8.250 nan 0.000 0.474 6 P HA 0.046 nan 4.420 nan 0.000 0.225 6 P C -0.531 176.758 177.300 -0.019 0.000 1.768 6 P CA 0.086 63.171 63.100 -0.025 0.000 0.943 6 P CB -0.092 31.596 31.700 -0.020 0.000 1.936 7 L N 2.109 123.317 121.223 -0.025 0.000 2.452 7 L HA 0.291 4.656 4.340 0.043 0.000 0.267 7 L C -1.332 175.537 176.870 -0.001 0.000 1.188 7 L CA -1.958 52.870 54.840 -0.020 0.000 0.821 7 L CB -0.321 41.716 42.059 -0.035 0.000 1.102 7 L HN 0.057 nan 8.230 nan 0.000 0.470 8 P HA 0.009 nan 4.420 nan 0.000 0.275 8 P C -0.685 176.651 177.300 0.060 0.000 1.266 8 P CA -0.378 62.748 63.100 0.044 0.000 0.793 8 P CB 0.399 32.122 31.700 0.038 0.000 1.074 9 H N 1.345 120.422 119.070 0.012 0.000 2.871 9 H HA -0.061 4.520 4.556 0.041 0.000 0.355 9 H C 1.263 176.579 175.328 -0.021 0.000 1.092 9 H CA 0.737 56.797 56.048 0.021 0.000 1.420 9 H CB 0.693 30.498 29.762 0.073 0.000 1.400 9 H HN 0.525 nan 8.280 nan 0.000 0.604 10 D N 1.867 121.972 120.400 -0.492 0.000 2.263 10 D HA -0.127 4.539 4.640 0.043 0.000 0.208 10 D C 0.357 176.574 176.300 -0.137 0.000 0.971 10 D CA 0.863 54.707 54.000 -0.260 0.000 0.867 10 D CB 0.152 40.807 40.800 -0.243 0.000 0.929 10 D HN 0.238 nan 8.370 nan 0.000 0.492 11 S N -0.555 115.118 115.700 -0.045 0.000 2.754 11 S HA 0.472 4.968 4.470 0.043 0.000 0.247 11 S C 1.481 175.759 174.600 -0.537 0.000 1.031 11 S CA 0.006 58.059 58.200 -0.246 0.000 1.014 11 S CB 1.009 64.048 63.200 -0.269 0.000 0.918 11 S HN 0.453 nan 8.310 nan 0.000 0.519 12 A N 2.535 125.246 122.820 -0.182 0.000 1.903 12 A HA -0.222 4.123 4.320 0.043 0.000 0.219 12 A C 2.061 179.613 177.584 -0.053 0.000 1.191 12 A CA 1.832 53.825 52.037 -0.073 0.000 0.638 12 A CB -0.460 18.575 19.000 0.059 0.000 0.823 12 A HN 0.472 nan 8.150 nan 0.000 0.451 13 R N -0.859 119.609 120.500 -0.055 0.000 2.073 13 R HA -0.021 4.345 4.340 0.043 0.000 0.229 13 R C 2.393 178.687 176.300 -0.011 0.000 1.120 13 R CA 1.235 57.326 56.100 -0.016 0.000 0.967 13 R CB -0.387 29.902 30.300 -0.017 0.000 0.862 13 R HN 0.469 nan 8.270 nan 0.000 0.436 14 A N 0.123 122.905 122.820 -0.062 0.000 1.978 14 A HA -0.199 4.147 4.320 0.043 0.000 0.220 14 A C 1.705 179.338 177.584 0.081 0.000 1.170 14 A CA 1.568 53.590 52.037 -0.024 0.000 0.636 14 A CB -0.777 18.182 19.000 -0.068 0.000 0.810 14 A HN 0.554 nan 8.150 nan 0.000 0.448 15 H N -1.867 117.239 119.070 0.059 0.000 2.321 15 H HA -0.068 4.512 4.556 0.041 0.000 0.300 15 H C 2.112 177.478 175.328 0.063 0.000 1.087 15 H CA 1.067 57.160 56.048 0.075 0.000 1.319 15 H CB -0.017 29.781 29.762 0.059 0.000 1.379 15 H HN 0.286 nan 8.280 nan 0.000 0.501 16 V N 0.968 120.990 119.914 0.179 0.000 2.515 16 V HA -0.185 3.961 4.120 0.043 0.000 0.250 16 V C 2.385 178.527 176.094 0.080 0.000 1.058 16 V CA 2.165 64.531 62.300 0.111 0.000 1.064 16 V CB -0.282 31.590 31.823 0.083 0.000 0.675 16 V HN 0.693 nan 8.190 nan 0.000 0.461 17 T N -3.138 111.458 114.554 0.071 0.000 3.081 17 T HA 0.220 4.596 4.350 0.043 0.000 0.255 17 T C 1.482 176.217 174.700 0.059 0.000 1.113 17 T CA 0.756 62.887 62.100 0.051 0.000 1.082 17 T CB 0.396 69.284 68.868 0.033 0.000 0.939 17 T HN 0.969 nan 8.240 nan 0.000 0.506 18 G N 1.390 110.242 108.800 0.086 0.000 2.160 18 G HA2 -0.264 3.722 3.960 0.043 0.000 0.244 18 G HA3 -0.264 3.722 3.960 0.043 0.000 0.244 18 G C 0.406 175.354 174.900 0.080 0.000 1.022 18 G CA 0.362 45.519 45.100 0.094 0.000 0.741 18 G HN 0.579 nan 8.290 nan 0.000 0.508 19 Q N -0.729 119.111 119.800 0.067 0.000 2.281 19 Q HA 0.526 4.891 4.340 0.043 0.000 0.215 19 Q C 1.452 177.461 176.000 0.015 0.000 0.867 19 Q CA 0.424 56.247 55.803 0.034 0.000 0.940 19 Q CB 0.819 29.566 28.738 0.015 0.000 1.111 19 Q HN 0.822 nan 8.270 nan 0.000 0.513 20 A N 1.495 124.337 122.820 0.038 0.000 2.454 20 A HA 0.276 4.621 4.320 0.043 0.000 0.260 20 A C -0.356 177.137 177.584 -0.151 0.000 1.106 20 A CA -0.104 51.901 52.037 -0.053 0.000 0.780 20 A CB 0.190 19.213 19.000 0.038 0.000 1.044 20 A HN 0.202 nan 8.150 nan 0.000 0.498 21 R N 1.623 121.995 120.500 -0.214 0.000 2.308 21 R HA 0.458 4.824 4.340 0.043 0.000 0.305 21 R C -1.208 174.862 176.300 -0.384 0.000 1.053 21 R CA 0.085 56.079 56.100 -0.177 0.000 0.957 21 R CB 0.693 30.931 30.300 -0.104 0.000 1.022 21 R HN 0.762 nan 8.270 nan 0.000 0.461 22 Y N 0.910 121.207 120.300 -0.005 0.000 2.596 22 Y HA 0.142 4.720 4.550 0.046 0.000 0.326 22 Y C 1.355 177.233 175.900 -0.037 0.000 1.167 22 Y CA -0.866 57.222 58.100 -0.020 0.000 1.246 22 Y CB 0.626 39.068 38.460 -0.030 0.000 1.347 22 Y HN 0.407 nan 8.280 nan 0.000 0.515 23 L N 0.823 122.115 121.223 0.115 0.000 1.991 23 L HA -0.279 4.087 4.340 0.043 0.000 0.221 23 L C 1.740 178.613 176.870 0.004 0.000 1.079 23 L CA 2.381 57.238 54.840 0.027 0.000 0.778 23 L CB -0.406 41.657 42.059 0.006 0.000 0.893 23 L HN 0.802 nan 8.230 nan 0.000 0.437 24 D N -0.975 119.433 120.400 0.014 0.000 2.350 24 D HA -0.154 4.511 4.640 0.043 0.000 0.216 24 D C 1.478 177.782 176.300 0.008 0.000 0.968 24 D CA 0.823 54.819 54.000 -0.007 0.000 0.894 24 D CB -0.097 40.684 40.800 -0.031 0.000 0.909 24 D HN 0.504 nan 8.370 nan 0.000 0.520 25 D N -0.536 119.883 120.400 0.033 0.000 2.289 25 D HA 0.002 4.667 4.640 0.043 0.000 0.207 25 D C 0.654 176.947 176.300 -0.011 0.000 0.966 25 D CA 0.043 54.060 54.000 0.028 0.000 0.868 25 D CB 0.114 40.954 40.800 0.066 0.000 0.943 25 D HN 0.295 nan 8.370 nan 0.000 0.514 26 L N 2.279 123.477 121.223 -0.041 0.000 2.490 26 L HA 0.127 4.493 4.340 0.043 0.000 0.274 26 L C -1.939 174.888 176.870 -0.072 0.000 1.201 26 L CA -1.355 53.433 54.840 -0.086 0.000 0.869 26 L CB -0.268 41.693 42.059 -0.164 0.000 1.123 26 L HN -0.234 nan 8.230 nan 0.000 0.484 27 P HA 0.186 nan 4.420 nan 0.000 0.275 27 P C -1.033 176.228 177.300 -0.065 0.000 1.227 27 P CA -0.473 62.596 63.100 -0.051 0.000 0.781 27 P CB 0.720 32.394 31.700 -0.043 0.000 0.906 28 C N 1.256 120.530 119.300 -0.043 0.000 3.239 28 C HA 0.673 5.159 4.460 0.043 0.000 0.317 28 C C -2.776 172.200 174.990 -0.024 0.000 1.310 28 C CA -2.349 56.642 59.018 -0.045 0.000 1.371 28 C CB 0.245 27.949 27.740 -0.060 0.000 1.714 28 C HN 0.367 nan 8.230 nan 0.000 0.473 29 P HA 0.267 nan 4.420 nan 0.000 0.267 29 P C 0.894 178.194 177.300 -0.000 0.000 1.201 29 P CA 0.574 63.668 63.100 -0.010 0.000 0.775 29 P CB 0.426 32.120 31.700 -0.010 0.000 0.854 30 A N 2.847 125.673 122.820 0.009 0.000 2.024 30 A HA -0.210 4.136 4.320 0.043 0.000 0.220 30 A C 1.470 179.071 177.584 0.029 0.000 1.164 30 A CA 1.859 53.909 52.037 0.022 0.000 0.643 30 A CB -1.046 17.965 19.000 0.020 0.000 0.806 30 A HN 0.746 nan 8.150 nan 0.000 0.451 31 N N -0.329 118.381 118.700 0.017 0.000 2.313 31 N HA 0.014 4.779 4.740 0.043 0.000 0.207 31 N C -0.520 174.989 175.510 -0.001 0.000 1.141 31 N CA 0.423 53.484 53.050 0.019 0.000 0.830 31 N CB -1.043 37.454 38.487 0.017 0.000 1.008 31 N HN 0.093 nan 8.380 nan 0.000 0.481 32 T N 2.287 116.826 114.554 -0.026 0.000 2.765 32 T HA 0.123 4.498 4.350 0.043 0.000 0.284 32 T C 0.670 175.258 174.700 -0.187 0.000 0.946 32 T CA -0.142 61.891 62.100 -0.111 0.000 1.185 32 T CB 0.268 69.047 68.868 -0.149 0.000 0.887 32 T HN 0.173 nan 8.240 nan 0.000 0.532 33 L N 3.975 125.108 121.223 -0.150 0.000 2.466 33 L HA 0.388 4.754 4.340 0.043 0.000 0.257 33 L C 0.860 177.544 176.870 -0.311 0.000 1.189 33 L CA -0.699 54.086 54.840 -0.093 0.000 0.813 33 L CB 0.362 42.432 42.059 0.018 0.000 1.118 33 L HN 0.607 nan 8.230 nan 0.000 0.471 34 H N 1.799 120.905 119.070 0.059 0.000 2.637 34 H HA 0.566 5.151 4.556 0.047 0.000 0.363 34 H C -0.922 174.445 175.328 0.065 0.000 1.131 34 H CA -0.661 55.428 56.048 0.069 0.000 1.183 34 H CB 2.272 32.100 29.762 0.110 0.000 1.637 34 H HN 0.318 nan 8.280 nan 0.000 0.531 35 L N 1.307 122.616 121.223 0.143 0.000 2.342 35 L HA 0.819 5.185 4.340 0.043 0.000 0.271 35 L C -0.180 176.689 176.870 -0.001 0.000 1.008 35 L CA -1.018 53.848 54.840 0.042 0.000 0.818 35 L CB 2.034 44.057 42.059 -0.059 0.000 1.296 35 L HN 0.619 nan 8.230 nan 0.000 0.427 36 A N 1.588 124.376 122.820 -0.052 0.000 2.547 36 A HA 0.735 5.081 4.320 0.043 0.000 0.297 36 A C -1.405 176.118 177.584 -0.102 0.000 1.056 36 A CA -0.434 51.554 52.037 -0.081 0.000 0.688 36 A CB 1.144 20.133 19.000 -0.018 0.000 1.282 36 A HN 0.538 nan 8.150 nan 0.000 0.400 37 F N 0.885 120.832 119.950 -0.006 0.000 2.375 37 F HA 0.519 5.074 4.527 0.046 0.000 0.333 37 F C 1.340 176.897 175.800 -0.405 0.000 1.104 37 F CA -0.217 57.686 58.000 -0.161 0.000 1.149 37 F CB 1.805 40.767 39.000 -0.064 0.000 1.190 37 F HN 0.682 nan 8.300 nan 0.000 0.533 38 G N 4.208 112.594 108.800 -0.690 0.000 2.347 38 G HA2 0.559 4.545 3.960 0.043 0.000 0.314 38 G HA3 0.559 4.545 3.960 0.043 0.000 0.314 38 G C -0.927 173.688 174.900 -0.474 0.000 1.126 38 G CA -0.568 43.904 45.100 -1.045 0.000 0.929 38 G HN 0.468 nan 8.290 nan 0.000 0.441 39 L N 1.696 122.788 121.223 -0.219 0.000 2.343 39 L HA 0.452 4.818 4.340 0.043 0.000 0.275 39 L C 1.051 177.843 176.870 -0.130 0.000 1.056 39 L CA -0.879 53.844 54.840 -0.194 0.000 0.804 39 L CB 1.746 43.693 42.059 -0.188 0.000 1.203 39 L HN 0.527 nan 8.230 nan 0.000 0.440 40 S N 0.077 115.649 115.700 -0.213 0.000 2.549 40 S HA 0.071 4.567 4.470 0.043 0.000 0.283 40 S C 0.936 175.403 174.600 -0.223 0.000 1.320 40 S CA -0.299 57.804 58.200 -0.162 0.000 1.058 40 S CB 0.558 63.585 63.200 -0.289 0.000 0.882 40 S HN 0.749 nan 8.310 nan 0.000 0.498 41 T N 1.555 115.978 114.554 -0.218 0.000 3.163 41 T HA 0.353 4.728 4.350 0.043 0.000 0.252 41 T C -0.096 174.371 174.700 -0.389 0.000 1.056 41 T CA -0.336 61.607 62.100 -0.262 0.000 0.947 41 T CB -0.091 68.676 68.868 -0.169 0.000 1.016 41 T HN 0.564 nan 8.240 nan 0.000 0.554 42 E N 0.252 120.162 120.200 -0.483 0.000 2.293 42 E HA 0.630 5.006 4.350 0.043 0.000 0.270 42 E C 0.332 176.757 176.600 -0.293 0.000 0.879 42 E CA -0.618 55.510 56.400 -0.453 0.000 0.756 42 E CB 2.112 31.395 29.700 -0.694 0.000 1.208 42 E HN 0.137 nan 8.360 nan 0.000 0.428 43 A N 1.724 124.426 122.820 -0.196 0.000 2.021 43 A HA 0.028 4.373 4.320 0.043 0.000 0.216 43 A C 0.939 178.467 177.584 -0.092 0.000 1.163 43 A CA 0.796 52.770 52.037 -0.106 0.000 0.676 43 A CB 0.378 19.342 19.000 -0.060 0.000 0.818 43 A HN 0.291 nan 8.150 nan 0.000 0.453 44 S N -1.353 114.272 115.700 -0.126 0.000 2.614 44 S HA 0.599 5.095 4.470 0.043 0.000 0.259 44 S C -0.888 173.643 174.600 -0.114 0.000 1.118 44 S CA 0.268 58.397 58.200 -0.119 0.000 1.065 44 S CB 0.307 63.466 63.200 -0.069 0.000 1.121 44 S HN 1.506 nan 8.310 nan 0.000 0.458 45 A N 2.897 125.647 122.820 -0.117 0.000 2.608 45 A HA 0.908 5.254 4.320 0.043 0.000 0.292 45 A C -0.568 177.010 177.584 -0.009 0.000 1.066 45 A CA -0.252 51.767 52.037 -0.030 0.000 0.676 45 A CB 0.890 19.912 19.000 0.036 0.000 1.277 45 A HN 1.570 nan 8.150 nan 0.000 0.413 46 A N 0.694 123.528 122.820 0.024 0.000 2.310 46 A HA 0.699 5.044 4.320 0.043 0.000 0.299 46 A C -0.294 177.309 177.584 0.032 0.000 1.147 46 A CA -0.366 51.680 52.037 0.015 0.000 0.818 46 A CB -0.026 18.977 19.000 0.005 0.000 1.096 46 A HN 0.771 nan 8.150 nan 0.000 0.495 47 I N 2.494 123.054 120.570 -0.016 0.000 2.337 47 I HA 0.151 4.347 4.170 0.043 0.000 0.291 47 I C 0.933 176.990 176.117 -0.100 0.000 1.046 47 I CA -0.060 61.171 61.300 -0.115 0.000 1.324 47 I CB 1.222 39.148 38.000 -0.124 0.000 1.409 47 I HN 0.787 nan 8.210 nan 0.000 0.494 48 T N 3.482 117.961 114.554 -0.126 0.000 3.031 48 T HA 0.154 4.530 4.350 0.043 0.000 0.254 48 T C 0.792 175.434 174.700 -0.097 0.000 1.060 48 T CA 0.187 62.237 62.100 -0.083 0.000 1.135 48 T CB 0.324 69.156 68.868 -0.059 0.000 0.896 48 T HN 0.738 nan 8.240 nan 0.000 0.472 49 G N 0.846 109.558 108.800 -0.146 0.000 2.701 49 G HA2 0.602 4.588 3.960 0.043 0.000 0.300 49 G HA3 0.602 4.588 3.960 0.043 0.000 0.300 49 G C -2.046 172.754 174.900 -0.167 0.000 1.410 49 G CA -0.488 44.533 45.100 -0.132 0.000 1.014 49 G HN 0.182 nan 8.290 nan 0.000 0.509 50 L N 1.958 123.101 121.223 -0.133 0.000 2.442 50 L HA 0.535 4.901 4.340 0.043 0.000 0.261 50 L C -1.279 175.507 176.870 -0.141 0.000 1.000 50 L CA -0.710 54.043 54.840 -0.146 0.000 0.882 50 L CB 1.802 43.788 42.059 -0.121 0.000 1.207 50 L HN 0.485 nan 8.230 nan 0.000 0.443 51 D N 3.806 124.117 120.400 -0.148 0.000 2.443 51 D HA 0.315 4.981 4.640 0.043 0.000 0.221 51 D C 0.348 176.536 176.300 -0.187 0.000 1.097 51 D CA -0.067 53.850 54.000 -0.138 0.000 0.865 51 D CB 0.810 41.549 40.800 -0.101 0.000 1.034 51 D HN 0.557 nan 8.370 nan 0.000 0.511 52 L N 3.067 124.160 121.223 -0.217 0.000 2.685 52 L HA 0.239 4.605 4.340 0.043 0.000 0.233 52 L C 1.728 178.486 176.870 -0.186 0.000 1.173 52 L CA -0.144 54.522 54.840 -0.290 0.000 0.961 52 L CB 0.090 41.928 42.059 -0.369 0.000 1.217 52 L HN 0.364 nan 8.230 nan 0.000 0.478 53 E N 1.771 121.892 120.200 -0.131 0.000 2.051 53 E HA -0.152 4.224 4.350 0.043 0.000 0.192 53 E C -0.711 175.845 176.600 -0.073 0.000 0.991 53 E CA 1.539 57.885 56.400 -0.090 0.000 0.799 53 E CB -0.559 29.099 29.700 -0.071 0.000 0.748 53 E HN 0.255 nan 8.360 nan 0.000 0.449 54 P HA -0.064 nan 4.420 nan 0.000 0.229 54 P C 1.042 178.320 177.300 -0.037 0.000 1.160 54 P CA 0.649 63.722 63.100 -0.044 0.000 0.777 54 P CB 0.191 31.870 31.700 -0.036 0.000 0.814 55 V N 0.252 120.126 119.914 -0.066 0.000 2.283 55 V HA -0.183 3.963 4.120 0.043 0.000 0.243 55 V C 2.452 178.532 176.094 -0.024 0.000 1.039 55 V CA 1.662 63.940 62.300 -0.037 0.000 1.016 55 V CB -0.970 30.788 31.823 -0.108 0.000 0.650 55 V HN 0.043 nan 8.190 nan 0.000 0.449 56 R N 0.140 120.606 120.500 -0.057 0.000 2.127 56 R HA -0.168 4.198 4.340 0.043 0.000 0.238 56 R C 2.029 178.312 176.300 -0.029 0.000 1.134 56 R CA 1.600 57.671 56.100 -0.048 0.000 0.975 56 R CB -0.239 30.019 30.300 -0.070 0.000 0.865 56 R HN 0.617 nan 8.270 nan 0.000 0.447 57 E N 0.260 120.444 120.200 -0.027 0.000 2.489 57 E HA 0.036 4.412 4.350 0.043 0.000 0.193 57 E C 0.087 176.683 176.600 -0.006 0.000 1.057 57 E CA -0.214 56.175 56.400 -0.018 0.000 0.866 57 E CB 0.476 30.163 29.700 -0.021 0.000 0.916 57 E HN 0.010 nan 8.360 nan 0.000 0.500 58 S N 1.760 117.460 115.700 0.000 0.000 2.564 58 S HA 0.125 4.621 4.470 0.043 0.000 0.278 58 S C -2.359 172.249 174.600 0.013 0.000 1.333 58 S CA -1.652 56.554 58.200 0.011 0.000 1.048 58 S CB 0.492 63.705 63.200 0.023 0.000 0.900 58 S HN -0.147 nan 8.310 nan 0.000 0.505 59 P HA 0.166 nan 4.420 nan 0.000 0.265 59 P C 0.874 178.187 177.300 0.022 0.000 1.187 59 P CA 1.076 64.185 63.100 0.015 0.000 0.766 59 P CB 0.153 31.860 31.700 0.013 0.000 0.820 60 G N 1.154 109.969 108.800 0.024 0.000 2.220 60 G HA2 -0.257 3.729 3.960 0.043 0.000 0.269 60 G HA3 -0.257 3.729 3.960 0.043 0.000 0.269 60 G C 0.198 175.124 174.900 0.044 0.000 0.977 60 G CA 0.064 45.184 45.100 0.034 0.000 0.634 60 G HN 0.549 nan 8.290 nan 0.000 0.539 61 V N 2.323 122.259 119.914 0.037 0.000 2.521 61 V HA 0.253 4.399 4.120 0.043 0.000 0.286 61 V C 1.633 177.744 176.094 0.029 0.000 1.034 61 V CA 0.136 62.461 62.300 0.042 0.000 1.045 61 V CB 1.175 33.019 31.823 0.035 0.000 0.974 61 V HN 0.229 nan 8.190 nan 0.000 0.480 62 I N 3.327 123.920 120.570 0.040 0.000 3.172 62 I HA 0.363 4.559 4.170 0.043 0.000 0.278 62 I C 0.936 177.047 176.117 -0.011 0.000 1.174 62 I CA 0.794 62.110 61.300 0.026 0.000 1.445 62 I CB -0.230 37.802 38.000 0.052 0.000 1.175 62 I HN 0.665 nan 8.210 nan 0.000 0.447 63 A N 0.612 123.419 122.820 -0.022 0.000 2.549 63 A HA 0.730 5.076 4.320 0.043 0.000 0.297 63 A C -1.223 176.208 177.584 -0.256 0.000 1.061 63 A CA -0.365 51.550 52.037 -0.203 0.000 0.690 63 A CB 2.069 20.931 19.000 -0.230 0.000 1.287 63 A HN -0.158 nan 8.150 nan 0.000 0.402 64 V N 1.407 121.044 119.914 -0.463 0.000 2.588 64 V HA 0.641 4.787 4.120 0.043 0.000 0.304 64 V C -1.308 174.516 176.094 -0.451 0.000 1.042 64 V CA -0.288 61.858 62.300 -0.257 0.000 0.877 64 V CB 1.362 33.116 31.823 -0.114 0.000 0.996 64 V HN 0.728 nan 8.190 nan 0.000 0.425 65 F N 1.563 121.614 119.950 0.168 0.000 2.532 65 F HA 0.742 5.296 4.527 0.044 0.000 0.321 65 F C 0.516 176.431 175.800 0.192 0.000 1.089 65 F CA -0.428 57.664 58.000 0.153 0.000 0.926 65 F CB 2.519 41.610 39.000 0.153 0.000 1.168 65 F HN 0.350 nan 8.300 nan 0.000 0.459 66 T N 0.726 115.467 114.554 0.311 0.000 2.916 66 T HA 0.490 4.866 4.350 0.043 0.000 0.292 66 T C 0.908 175.725 174.700 0.194 0.000 1.064 66 T CA -0.114 62.121 62.100 0.226 0.000 1.011 66 T CB 1.870 70.813 68.868 0.125 0.000 1.152 66 T HN 0.686 nan 8.240 nan 0.000 0.510 67 A N 1.170 124.080 122.820 0.149 0.000 1.958 67 A HA -0.083 4.262 4.320 0.043 0.000 0.221 67 A C 2.414 180.055 177.584 0.095 0.000 1.178 67 A CA 2.457 54.562 52.037 0.114 0.000 0.642 67 A CB -1.154 17.902 19.000 0.093 0.000 0.816 67 A HN 0.954 nan 8.150 nan 0.000 0.453 68 A N -0.248 122.623 122.820 0.085 0.000 1.972 68 A HA -0.180 4.166 4.320 0.043 0.000 0.219 68 A C 1.667 179.295 177.584 0.073 0.000 1.169 68 A CA 1.733 53.808 52.037 0.063 0.000 0.635 68 A CB -0.477 18.550 19.000 0.046 0.000 0.810 68 A HN 0.530 nan 8.150 nan 0.000 0.446 69 D N -0.244 120.228 120.400 0.119 0.000 2.312 69 D HA 0.032 4.698 4.640 0.043 0.000 0.211 69 D C 0.382 176.772 176.300 0.150 0.000 0.964 69 D CA 0.250 54.347 54.000 0.162 0.000 0.877 69 D CB -0.202 40.769 40.800 0.284 0.000 0.924 69 D HN 0.394 nan 8.370 nan 0.000 0.515 70 L N 3.146 124.436 121.223 0.112 0.000 2.534 70 L HA 0.022 4.388 4.340 0.043 0.000 0.271 70 L C -0.716 176.158 176.870 0.006 0.000 1.178 70 L CA -1.009 53.870 54.840 0.065 0.000 0.907 70 L CB 0.414 42.512 42.059 0.066 0.000 1.164 70 L HN -0.113 nan 8.230 nan 0.000 0.482 71 P HA -0.120 nan 4.420 nan 0.000 0.218 71 P C 0.409 177.406 177.300 -0.504 0.000 1.149 71 P CA 1.565 64.544 63.100 -0.200 0.000 0.817 71 P CB 0.367 32.024 31.700 -0.072 0.000 0.785 72 H N -1.761 117.332 119.070 0.038 0.000 4.614 72 H HA 0.206 4.787 4.556 0.042 0.000 0.379 72 H C -0.296 175.056 175.328 0.040 0.000 1.214 72 H CA -0.569 55.503 56.048 0.040 0.000 0.525 72 H CB -0.619 29.169 29.762 0.044 0.000 1.205 72 H HN -0.133 nan 8.280 nan 0.000 0.669 73 D N 1.742 122.268 120.400 0.211 0.000 2.472 73 D HA -0.006 4.659 4.640 0.043 0.000 0.237 73 D C 0.349 176.694 176.300 0.076 0.000 1.141 73 D CA 0.655 54.721 54.000 0.109 0.000 0.875 73 D CB 0.344 41.197 40.800 0.089 0.000 1.192 73 D HN 0.303 nan 8.370 nan 0.000 0.450 74 N N 1.959 120.690 118.700 0.050 0.000 2.660 74 N HA 0.099 4.865 4.740 0.043 0.000 0.316 74 N C -1.809 173.714 175.510 0.021 0.000 1.774 74 N CA -0.472 52.602 53.050 0.041 0.000 0.946 74 N CB 0.116 38.636 38.487 0.055 0.000 1.322 74 N HN 0.249 nan 8.380 nan 0.000 0.492 75 D N -0.719 119.679 120.400 -0.002 0.000 2.863 75 D HA 0.561 5.227 4.640 0.043 0.000 0.245 75 D C -0.269 175.997 176.300 -0.057 0.000 1.211 75 D CA -0.581 53.404 54.000 -0.025 0.000 0.888 75 D CB 1.788 42.574 40.800 -0.024 0.000 1.483 75 D HN 0.099 nan 8.370 nan 0.000 0.533 76 A N 2.630 125.385 122.820 -0.108 0.000 2.358 76 A HA 0.249 4.594 4.320 0.043 0.000 0.223 76 A C 0.971 178.534 177.584 -0.036 0.000 1.218 76 A CA -0.086 51.858 52.037 -0.154 0.000 0.942 76 A CB 0.124 18.774 19.000 -0.583 0.000 1.005 76 A HN 0.424 nan 8.150 nan 0.000 0.514 77 S N 1.345 117.025 115.700 -0.035 0.000 2.558 77 S HA 0.208 4.704 4.470 0.043 0.000 0.288 77 S C -1.058 173.522 174.600 -0.033 0.000 1.318 77 S CA -0.631 57.546 58.200 -0.039 0.000 1.056 77 S CB 0.774 63.914 63.200 -0.100 0.000 0.853 77 S HN 0.307 nan 8.310 nan 0.000 0.505 78 P HA 0.147 nan 4.420 nan 0.000 0.231 78 P C 0.152 177.424 177.300 -0.047 0.000 1.168 78 P CA 0.288 63.365 63.100 -0.037 0.000 0.779 78 P CB -0.102 31.599 31.700 0.002 0.000 0.844 79 A N 1.366 124.150 122.820 -0.061 0.000 2.313 79 A HA 0.370 4.716 4.320 0.043 0.000 0.261 79 A C -1.275 176.275 177.584 -0.058 0.000 1.090 79 A CA -1.103 50.892 52.037 -0.069 0.000 0.807 79 A CB -0.584 18.342 19.000 -0.123 0.000 1.055 79 A HN -0.045 nan 8.150 nan 0.000 0.492 80 P HA -0.022 nan 4.420 nan 0.000 0.226 80 P C 0.188 177.467 177.300 -0.035 0.000 1.153 80 P CA 1.200 64.282 63.100 -0.030 0.000 0.777 80 P CB -0.036 31.653 31.700 -0.018 0.000 0.794 81 S N 0.207 115.875 115.700 -0.053 0.000 2.475 81 S HA 0.427 4.923 4.470 0.043 0.000 0.281 81 S C -2.452 172.109 174.600 -0.064 0.000 1.198 81 S CA -1.745 56.426 58.200 -0.047 0.000 1.063 81 S CB 0.451 63.623 63.200 -0.046 0.000 0.972 81 S HN -0.050 nan 8.310 nan 0.000 0.486 82 P HA 0.182 nan 4.420 nan 0.000 0.269 82 P C -0.714 176.553 177.300 -0.055 0.000 1.209 82 P CA -0.029 63.049 63.100 -0.037 0.000 0.776 82 P CB 0.441 32.136 31.700 -0.008 0.000 0.876 83 E N 3.172 123.343 120.200 -0.048 0.000 2.283 83 E HA 0.312 4.687 4.350 0.043 0.000 0.258 83 E C -2.601 174.047 176.600 0.081 0.000 0.893 83 E CA -2.685 53.689 56.400 -0.043 0.000 0.798 83 E CB 1.809 31.411 29.700 -0.163 0.000 1.242 83 E HN 0.244 nan 8.360 nan 0.000 0.414 84 P HA -0.028 nan 4.420 nan 0.000 0.268 84 P C 0.849 178.237 177.300 0.146 0.000 1.205 84 P CA -0.156 63.038 63.100 0.156 0.000 0.771 84 P CB 1.468 33.280 31.700 0.187 0.000 0.858 85 V N 3.056 122.984 119.914 0.024 0.000 2.407 85 V HA -0.079 4.067 4.120 0.043 0.000 0.245 85 V C 1.296 177.374 176.094 -0.026 0.000 1.041 85 V CA 1.400 63.672 62.300 -0.046 0.000 1.040 85 V CB -0.829 30.962 31.823 -0.054 0.000 0.671 85 V HN 0.392 nan 8.190 nan 0.000 0.455 86 L N 0.473 121.708 121.223 0.020 0.000 2.329 86 L HA 0.731 5.097 4.340 0.043 0.000 0.279 86 L C 0.294 177.198 176.870 0.057 0.000 1.014 86 L CA -0.778 54.071 54.840 0.015 0.000 0.814 86 L CB 1.485 43.596 42.059 0.087 0.000 1.257 86 L HN 0.147 nan 8.230 nan 0.000 0.424 87 A N 1.365 124.206 122.820 0.035 0.000 2.565 87 A HA 0.287 4.633 4.320 0.043 0.000 0.237 87 A C 0.535 178.172 177.584 0.089 0.000 1.053 87 A CA 0.148 52.225 52.037 0.066 0.000 0.755 87 A CB -0.271 18.742 19.000 0.022 0.000 0.980 87 A HN 0.728 nan 8.150 nan 0.000 0.506 88 T N 0.623 115.248 114.554 0.118 0.000 3.262 88 T HA 0.524 4.900 4.350 0.043 0.000 0.374 88 T C 1.144 175.900 174.700 0.092 0.000 1.504 88 T CA 0.254 62.416 62.100 0.103 0.000 1.158 88 T CB 0.224 69.160 68.868 0.112 0.000 1.157 88 T HN 2.305 nan 8.240 nan 0.000 0.644 89 G N 2.289 111.125 108.800 0.060 0.000 2.284 89 G HA2 -0.258 3.728 3.960 0.043 0.000 0.261 89 G HA3 -0.258 3.728 3.960 0.043 0.000 0.261 89 G C -0.152 174.765 174.900 0.028 0.000 0.997 89 G CA 0.483 45.605 45.100 0.037 0.000 0.621 89 G HN 1.060 nan 8.290 nan 0.000 0.534 90 E N -1.228 119.000 120.200 0.046 0.000 2.372 90 E HA 0.626 5.001 4.350 0.043 0.000 0.279 90 E C -0.512 176.063 176.600 -0.043 0.000 0.946 90 E CA -0.785 55.608 56.400 -0.011 0.000 0.769 90 E CB 2.349 32.021 29.700 -0.047 0.000 1.230 90 E HN 1.032 nan 8.360 nan 0.000 0.442 91 V N -0.674 119.153 119.914 -0.145 0.000 2.667 91 V HA 0.485 4.631 4.120 0.043 0.000 0.308 91 V C -0.164 175.715 176.094 -0.359 0.000 1.048 91 V CA -0.464 61.730 62.300 -0.178 0.000 0.928 91 V CB 1.482 33.229 31.823 -0.127 0.000 1.004 91 V HN 0.916 nan 8.190 nan 0.000 0.444 92 H N 3.526 122.487 119.070 -0.181 0.000 3.058 92 H HA 0.392 4.974 4.556 0.043 0.000 0.266 92 H C -0.299 175.044 175.328 0.026 0.000 1.135 92 H CA 0.703 56.739 56.048 -0.020 0.000 1.174 92 H CB 1.175 31.065 29.762 0.213 0.000 1.581 92 H HN 0.802 nan 8.280 nan 0.000 0.553 93 F N -2.033 117.747 119.950 -0.284 0.000 2.770 93 F HA 0.400 4.952 4.527 0.042 0.000 0.313 93 F C -1.738 173.936 175.800 -0.209 0.000 1.154 93 F CA -1.358 56.506 58.000 -0.226 0.000 0.923 93 F CB 0.791 39.645 39.000 -0.244 0.000 1.301 93 F HN -0.362 nan 8.300 nan 0.000 0.449 94 V N 3.003 122.837 119.914 -0.133 0.000 2.403 94 V HA 0.476 4.621 4.120 0.043 0.000 0.265 94 V C 0.855 176.754 176.094 -0.325 0.000 1.034 94 V CA 1.310 63.473 62.300 -0.229 0.000 1.036 94 V CB -0.201 31.590 31.823 -0.052 0.000 1.032 94 V HN 1.487 nan 8.190 nan 0.000 0.478 95 G N 3.706 112.129 108.800 -0.627 0.000 2.273 95 G HA2 -0.157 3.828 3.960 0.043 0.000 0.162 95 G HA3 -0.157 3.828 3.960 0.043 0.000 0.162 95 G C 0.214 174.623 174.900 -0.818 0.000 1.006 95 G CA -0.075 44.713 45.100 -0.520 0.000 0.704 95 G HN 0.608 nan 8.290 nan 0.000 0.487 96 Q N 1.594 120.528 119.800 -1.444 0.000 2.255 96 Q HA 0.340 4.705 4.340 0.043 0.000 0.280 96 Q C -2.305 173.396 176.000 -0.499 0.000 1.068 96 Q CA -1.347 53.829 55.803 -1.044 0.000 0.911 96 Q CB 0.676 28.772 28.738 -1.071 0.000 1.157 96 Q HN 0.154 nan 8.270 nan 0.000 0.380 97 P HA -0.039 nan 4.420 nan 0.000 0.266 97 P C -0.415 176.718 177.300 -0.279 0.000 1.215 97 P CA 0.678 63.501 63.100 -0.461 0.000 0.763 97 P CB 0.504 31.569 31.700 -1.057 0.000 0.806 98 I N 3.318 123.790 120.570 -0.163 0.000 3.039 98 I HA 0.124 4.320 4.170 0.043 0.000 0.270 98 I C 0.731 176.964 176.117 0.193 0.000 1.150 98 I CA 0.576 61.898 61.300 0.037 0.000 1.448 98 I CB -0.001 38.090 38.000 0.151 0.000 1.197 98 I HN 0.249 nan 8.210 nan 0.000 0.450 99 F N -0.057 119.949 119.950 0.093 0.000 2.629 99 F HA 0.758 5.310 4.527 0.043 0.000 0.316 99 F C -1.207 174.792 175.800 0.332 0.000 1.081 99 F CA -1.536 56.570 58.000 0.177 0.000 0.954 99 F CB 1.271 40.345 39.000 0.123 0.000 1.337 99 F HN -0.300 nan 8.300 nan 0.000 0.474 100 L N 2.488 124.032 121.223 0.536 0.000 2.334 100 L HA 0.832 5.198 4.340 0.043 0.000 0.276 100 L C -1.366 175.803 176.870 0.499 0.000 1.014 100 L CA -0.766 54.363 54.840 0.482 0.000 0.815 100 L CB 2.000 44.344 42.059 0.474 0.000 1.268 100 L HN 0.633 nan 8.230 nan 0.000 0.428 101 V N 4.071 124.186 119.914 0.335 0.000 2.448 101 V HA 0.798 4.944 4.120 0.043 0.000 0.295 101 V C 0.011 176.246 176.094 0.235 0.000 1.025 101 V CA -0.517 61.956 62.300 0.289 0.000 0.859 101 V CB 1.291 33.257 31.823 0.239 0.000 0.988 101 V HN 0.930 nan 8.190 nan 0.000 0.431 102 A N 3.927 126.893 122.820 0.244 0.000 2.277 102 A HA 0.910 5.256 4.320 0.043 0.000 0.318 102 A C 0.072 177.743 177.584 0.145 0.000 1.339 102 A CA -0.109 52.056 52.037 0.212 0.000 0.875 102 A CB 0.637 19.823 19.000 0.310 0.000 1.158 102 A HN 1.308 nan 8.150 nan 0.000 0.514 103 A N 1.575 124.480 122.820 0.141 0.000 2.430 103 A HA 0.718 5.063 4.320 0.043 0.000 0.300 103 A C 1.051 178.732 177.584 0.161 0.000 1.124 103 A CA 0.167 52.277 52.037 0.122 0.000 0.766 103 A CB 0.530 19.588 19.000 0.097 0.000 1.328 103 A HN 1.309 nan 8.150 nan 0.000 0.424 104 T N -1.329 113.304 114.554 0.131 0.000 3.113 104 T HA 0.203 4.579 4.350 0.043 0.000 0.263 104 T C 0.701 175.520 174.700 0.200 0.000 1.143 104 T CA 1.035 63.231 62.100 0.159 0.000 1.090 104 T CB -0.784 68.141 68.868 0.095 0.000 0.922 104 T HN 1.656 nan 8.240 nan 0.000 0.521 105 S N -1.015 114.756 115.700 0.118 0.000 2.579 105 S HA 0.344 4.839 4.470 0.043 0.000 0.272 105 S C 0.487 175.024 174.600 -0.106 0.000 1.141 105 S CA -0.836 57.297 58.200 -0.110 0.000 0.843 105 S CB 1.292 64.437 63.200 -0.090 0.000 1.122 105 S HN 0.246 nan 8.310 nan 0.000 0.468 106 H N 1.435 120.254 119.070 -0.418 0.000 2.353 106 H HA -0.046 4.537 4.556 0.045 0.000 0.300 106 H C 1.780 177.075 175.328 -0.055 0.000 1.090 106 H CA 1.697 57.650 56.048 -0.159 0.000 1.327 106 H CB 0.033 29.690 29.762 -0.175 0.000 1.383 106 H HN 0.491 nan 8.280 nan 0.000 0.508 107 R N 0.501 120.926 120.500 -0.125 0.000 2.070 107 R HA -0.095 4.271 4.340 0.043 0.000 0.233 107 R C 2.586 178.833 176.300 -0.088 0.000 1.137 107 R CA 1.064 57.090 56.100 -0.124 0.000 0.945 107 R CB -1.006 29.266 30.300 -0.047 0.000 0.845 107 R HN 0.387 nan 8.270 nan 0.000 0.430 108 A N 1.361 124.156 122.820 -0.042 0.000 1.884 108 A HA -0.231 4.114 4.320 0.043 0.000 0.219 108 A C 2.439 180.025 177.584 0.003 0.000 1.197 108 A CA 2.504 54.537 52.037 -0.007 0.000 0.637 108 A CB -0.864 18.146 19.000 0.017 0.000 0.827 108 A HN 0.434 nan 8.150 nan 0.000 0.450 109 A N -0.787 122.037 122.820 0.007 0.000 1.883 109 A HA -0.199 4.147 4.320 0.043 0.000 0.217 109 A C 2.270 179.853 177.584 -0.001 0.000 1.186 109 A CA 1.633 53.688 52.037 0.030 0.000 0.624 109 A CB -0.539 18.495 19.000 0.057 0.000 0.822 109 A HN 0.496 nan 8.150 nan 0.000 0.444 110 R N -0.590 119.858 120.500 -0.087 0.000 2.083 110 R HA -0.126 4.240 4.340 0.043 0.000 0.237 110 R C 2.094 178.379 176.300 -0.025 0.000 1.137 110 R CA 1.721 57.767 56.100 -0.092 0.000 0.951 110 R CB -0.763 29.420 30.300 -0.195 0.000 0.851 110 R HN 0.641 nan 8.270 nan 0.000 0.434 111 I N 0.598 121.156 120.570 -0.020 0.000 2.179 111 I HA -0.266 3.930 4.170 0.043 0.000 0.242 111 I C 2.572 178.713 176.117 0.040 0.000 1.088 111 I CA 1.428 62.733 61.300 0.008 0.000 1.357 111 I CB -0.423 37.578 38.000 0.003 0.000 1.051 111 I HN 0.144 nan 8.210 nan 0.000 0.409 112 A N 0.532 123.385 122.820 0.054 0.000 2.019 112 A HA -0.099 4.246 4.320 0.043 0.000 0.219 112 A C 2.481 180.167 177.584 0.170 0.000 1.164 112 A CA 1.590 53.682 52.037 0.092 0.000 0.644 112 A CB -0.686 18.369 19.000 0.092 0.000 0.805 112 A HN 0.445 nan 8.150 nan 0.000 0.449 113 A N -0.149 122.771 122.820 0.168 0.000 2.015 113 A HA -0.111 4.235 4.320 0.043 0.000 0.219 113 A C 2.169 179.908 177.584 0.258 0.000 1.163 113 A CA 1.331 53.507 52.037 0.231 0.000 0.646 113 A CB -0.329 18.699 19.000 0.047 0.000 0.806 113 A HN 0.558 nan 8.150 nan 0.000 0.448 114 R N -0.563 120.026 120.500 0.148 0.000 2.276 114 R HA 0.084 4.449 4.340 0.043 0.000 0.196 114 R C 0.776 177.144 176.300 0.113 0.000 0.961 114 R CA 0.533 56.703 56.100 0.116 0.000 1.024 114 R CB -0.015 30.322 30.300 0.062 0.000 0.940 114 R HN 0.344 nan 8.270 nan 0.000 0.480 115 K N 1.276 121.741 120.400 0.109 0.000 2.665 115 K HA 0.164 4.510 4.320 0.043 0.000 0.214 115 K C 0.008 176.628 176.600 0.033 0.000 1.032 115 K CA -0.272 56.050 56.287 0.058 0.000 1.198 115 K CB 0.572 33.095 32.500 0.037 0.000 0.941 115 K HN 0.086 nan 8.250 nan 0.000 0.491 116 A N 1.407 124.272 122.820 0.075 0.000 2.340 116 A HA 0.283 4.628 4.320 0.043 0.000 0.268 116 A C -0.174 177.404 177.584 -0.011 0.000 1.100 116 A CA -0.379 51.657 52.037 -0.003 0.000 0.803 116 A CB 0.411 19.490 19.000 0.132 0.000 1.043 116 A HN 0.306 nan 8.150 nan 0.000 0.488 117 R N 1.717 122.175 120.500 -0.070 0.000 2.312 117 R HA 0.440 4.806 4.340 0.043 0.000 0.310 117 R C -1.441 174.802 176.300 -0.095 0.000 1.064 117 R CA -0.004 56.061 56.100 -0.058 0.000 0.983 117 R CB 0.712 30.974 30.300 -0.063 0.000 1.139 117 R HN 0.687 nan 8.270 nan 0.000 0.536 118 I N 1.789 122.305 120.570 -0.090 0.000 2.433 118 I HA 0.283 4.478 4.170 0.043 0.000 0.292 118 I C 0.451 176.385 176.117 -0.305 0.000 1.001 118 I CA -0.820 60.336 61.300 -0.240 0.000 1.119 118 I CB 2.292 40.117 38.000 -0.291 0.000 1.289 118 I HN 0.389 nan 8.210 nan 0.000 0.438 119 T N 1.997 116.330 114.554 -0.368 0.000 2.823 119 T HA 0.661 5.037 4.350 0.043 0.000 0.279 119 T C -0.890 173.570 174.700 -0.399 0.000 0.998 119 T CA -0.587 61.362 62.100 -0.251 0.000 0.994 119 T CB 1.030 69.831 68.868 -0.112 0.000 0.960 119 T HN 0.302 nan 8.240 nan 0.000 0.448 120 Y N 0.630 120.913 120.300 -0.029 0.000 2.509 120 Y HA 0.651 5.226 4.550 0.042 0.000 0.341 120 Y C 0.338 176.218 175.900 -0.033 0.000 1.038 120 Y CA -1.511 56.568 58.100 -0.036 0.000 1.089 120 Y CB 2.053 40.485 38.460 -0.047 0.000 1.241 120 Y HN 0.945 nan 8.280 nan 0.000 0.468 121 A N 3.447 126.342 122.820 0.126 0.000 2.801 121 A HA 0.546 4.892 4.320 0.043 0.000 0.344 121 A C -2.806 174.806 177.584 0.048 0.000 1.322 121 A CA -1.765 50.309 52.037 0.062 0.000 0.913 121 A CB -0.664 18.352 19.000 0.028 0.000 1.140 121 A HN 0.410 nan 8.150 nan 0.000 0.487 122 P HA 0.150 nan 4.420 nan 0.000 0.265 122 P C -0.090 177.201 177.300 -0.016 0.000 1.193 122 P CA 0.460 63.555 63.100 -0.008 0.000 0.765 122 P CB 0.513 32.197 31.700 -0.027 0.000 0.823 123 R N 3.698 124.180 120.500 -0.032 0.000 2.828 123 R HA 0.560 4.926 4.340 0.043 0.000 0.264 123 R C -2.409 173.871 176.300 -0.032 0.000 1.022 123 R CA -2.198 53.885 56.100 -0.028 0.000 1.021 123 R CB 0.082 30.363 30.300 -0.031 0.000 1.163 123 R HN 0.279 nan 8.270 nan 0.000 0.494 124 P HA 0.063 nan 4.420 nan 0.000 0.267 124 P C -0.953 176.331 177.300 -0.026 0.000 1.205 124 P CA 0.073 63.160 63.100 -0.022 0.000 0.765 124 P CB 0.774 32.465 31.700 -0.015 0.000 0.828 125 A N 3.583 126.384 122.820 -0.031 0.000 2.287 125 A HA 0.557 4.903 4.320 0.043 0.000 0.273 125 A C -0.130 177.437 177.584 -0.028 0.000 1.091 125 A CA -0.440 51.578 52.037 -0.032 0.000 0.817 125 A CB 0.028 19.001 19.000 -0.044 0.000 1.069 125 A HN 0.519 nan 8.150 nan 0.000 0.492 126 I N 1.643 122.196 120.570 -0.029 0.000 2.495 126 I HA 0.217 4.413 4.170 0.043 0.000 0.277 126 I C 0.233 176.309 176.117 -0.070 0.000 1.045 126 I CA 0.219 61.494 61.300 -0.042 0.000 1.135 126 I CB 0.933 38.911 38.000 -0.037 0.000 1.241 126 I HN 0.616 nan 8.210 nan 0.000 0.469 127 L N 2.556 123.730 121.223 -0.082 0.000 2.433 127 L HA 0.185 4.551 4.340 0.043 0.000 0.200 127 L C 1.361 178.140 176.870 -0.151 0.000 1.059 127 L CA 0.332 55.091 54.840 -0.135 0.000 0.835 127 L CB -0.123 41.878 42.059 -0.098 0.000 1.076 127 L HN 0.603 nan 8.230 nan 0.000 0.481 128 T N -2.273 112.227 114.554 -0.089 0.000 2.847 128 T HA 0.329 4.705 4.350 0.043 0.000 0.279 128 T C 0.989 175.642 174.700 -0.080 0.000 0.984 128 T CA -0.516 61.539 62.100 -0.074 0.000 0.988 128 T CB 1.597 70.445 68.868 -0.033 0.000 1.040 128 T HN -0.056 nan 8.240 nan 0.000 0.528 129 L N 0.597 121.777 121.223 -0.072 0.000 2.156 129 L HA 0.082 4.448 4.340 0.043 0.000 0.208 129 L C 2.299 179.128 176.870 -0.069 0.000 1.095 129 L CA 1.433 56.227 54.840 -0.076 0.000 0.770 129 L CB -0.736 41.280 42.059 -0.072 0.000 0.914 129 L HN 0.705 nan 8.230 nan 0.000 0.439 130 D N -0.816 119.553 120.400 -0.053 0.000 2.144 130 D HA -0.204 4.462 4.640 0.043 0.000 0.199 130 D C 2.246 178.518 176.300 -0.047 0.000 0.984 130 D CA 0.978 54.949 54.000 -0.048 0.000 0.834 130 D CB -0.071 40.711 40.800 -0.030 0.000 0.955 130 D HN 0.363 nan 8.370 nan 0.000 0.465 131 Q N 0.231 120.005 119.800 -0.044 0.000 2.020 131 Q HA -0.104 4.262 4.340 0.043 0.000 0.202 131 Q C 2.309 178.280 176.000 -0.049 0.000 0.982 131 Q CA 1.487 57.265 55.803 -0.041 0.000 0.838 131 Q CB -0.200 28.515 28.738 -0.038 0.000 0.899 131 Q HN 0.297 nan 8.270 nan 0.000 0.423 132 A N 0.573 123.356 122.820 -0.061 0.000 1.908 132 A HA -0.193 4.153 4.320 0.043 0.000 0.218 132 A C 2.009 179.553 177.584 -0.067 0.000 1.181 132 A CA 1.221 53.216 52.037 -0.070 0.000 0.627 132 A CB -0.627 18.324 19.000 -0.082 0.000 0.818 132 A HN 0.316 nan 8.150 nan 0.000 0.445 133 L N -0.576 120.603 121.223 -0.074 0.000 2.093 133 L HA -0.040 4.326 4.340 0.043 0.000 0.208 133 L C 2.753 179.585 176.870 -0.063 0.000 1.085 133 L CA 1.937 56.725 54.840 -0.086 0.000 0.755 133 L CB -0.873 41.115 42.059 -0.119 0.000 0.904 133 L HN 0.381 nan 8.230 nan 0.000 0.435 134 A N -1.149 121.640 122.820 -0.051 0.000 1.897 134 A HA 0.078 4.423 4.320 0.043 0.000 0.215 134 A C 2.220 179.785 177.584 -0.031 0.000 1.181 134 A CA 1.234 53.249 52.037 -0.037 0.000 0.620 134 A CB -0.788 18.193 19.000 -0.031 0.000 0.821 134 A HN 0.403 nan 8.150 nan 0.000 0.443 135 A N -1.579 121.220 122.820 -0.034 0.000 2.251 135 A HA 0.314 4.659 4.320 0.043 0.000 0.209 135 A C 0.686 178.249 177.584 -0.035 0.000 1.187 135 A CA 1.041 53.059 52.037 -0.031 0.000 0.823 135 A CB -0.398 18.584 19.000 -0.031 0.000 0.846 135 A HN 0.528 nan 8.150 nan 0.000 0.486 136 D N -1.152 119.225 120.400 -0.039 0.000 2.800 136 D HA -0.148 4.518 4.640 0.043 0.000 0.232 136 D C 0.030 176.291 176.300 -0.065 0.000 1.137 136 D CA 1.024 55.001 54.000 -0.039 0.000 0.718 136 D CB -1.464 39.322 40.800 -0.023 0.000 1.084 136 D HN 0.277 nan 8.370 nan 0.000 0.432 137 S N 0.379 116.029 115.700 -0.084 0.000 2.681 137 S HA 0.415 4.911 4.470 0.043 0.000 0.313 137 S C 0.146 174.631 174.600 -0.191 0.000 1.137 137 S CA -0.307 57.812 58.200 -0.135 0.000 1.045 137 S CB 0.014 63.149 63.200 -0.108 0.000 1.208 137 S HN 0.431 nan 8.310 nan 0.000 0.523 138 R N 2.610 122.953 120.500 -0.262 0.000 2.810 138 R HA 0.597 4.962 4.340 0.043 0.000 0.266 138 R C -1.576 174.464 176.300 -0.433 0.000 1.061 138 R CA -0.865 55.084 56.100 -0.251 0.000 0.943 138 R CB 0.633 30.894 30.300 -0.065 0.000 1.237 138 R HN 0.391 nan 8.270 nan 0.000 0.459 139 F N -0.083 119.862 119.950 -0.008 0.000 2.575 139 F HA 0.349 4.902 4.527 0.044 0.000 0.330 139 F C 0.375 176.166 175.800 -0.015 0.000 1.056 139 F CA -0.478 57.512 58.000 -0.016 0.000 0.964 139 F CB 1.962 40.945 39.000 -0.028 0.000 1.258 139 F HN 0.859 nan 8.300 nan 0.000 0.484 140 E N -0.001 120.330 120.200 0.219 0.000 3.628 140 E HA -0.187 4.189 4.350 0.043 0.000 0.309 140 E C 0.522 177.160 176.600 0.063 0.000 0.839 140 E CA 0.563 57.027 56.400 0.107 0.000 1.123 140 E CB -1.528 28.218 29.700 0.076 0.000 1.568 140 E HN 1.122 nan 8.360 nan 0.000 0.440 141 G N -0.272 108.561 108.800 0.056 0.000 2.354 141 G HA2 0.133 4.119 3.960 0.043 0.000 0.278 141 G HA3 0.133 4.119 3.960 0.043 0.000 0.278 141 G C 0.542 175.455 174.900 0.022 0.000 0.953 141 G CA 0.959 46.076 45.100 0.029 0.000 1.346 141 G HN 1.268 nan 8.290 nan 0.000 0.467 142 G N 0.779 109.591 108.800 0.020 0.000 2.619 142 G HA2 0.335 4.321 3.960 0.043 0.000 0.686 142 G HA3 0.335 4.321 3.960 0.043 0.000 0.686 142 G C -1.785 173.103 174.900 -0.020 0.000 1.256 142 G CA -0.116 44.993 45.100 0.015 0.000 0.826 142 G HN 1.061 nan 8.290 nan 0.000 0.619 143 P HA 0.515 nan 4.420 nan 0.000 0.274 143 P C -0.161 177.034 177.300 -0.174 0.000 1.246 143 P CA -0.381 62.567 63.100 -0.254 0.000 0.795 143 P CB 1.254 32.566 31.700 -0.648 0.000 1.006 144 V N 2.689 122.479 119.914 -0.207 0.000 2.394 144 V HA 0.328 4.473 4.120 0.043 0.000 0.282 144 V C 0.480 176.422 176.094 -0.252 0.000 1.031 144 V CA -0.358 61.833 62.300 -0.182 0.000 0.881 144 V CB 0.693 32.392 31.823 -0.206 0.000 0.982 144 V HN 0.334 nan 8.190 nan 0.000 0.451 145 I N 4.535 125.034 120.570 -0.119 0.000 2.436 145 I HA 0.471 4.667 4.170 0.043 0.000 0.289 145 I C -1.080 175.160 176.117 0.204 0.000 1.010 145 I CA -0.380 60.898 61.300 -0.037 0.000 1.098 145 I CB 1.838 39.849 38.000 0.017 0.000 1.266 145 I HN 0.478 nan 8.210 nan 0.000 0.434 146 W N 4.707 126.066 121.300 0.098 0.000 2.689 146 W HA 0.824 5.509 4.660 0.042 0.000 0.340 146 W C -0.295 176.302 176.519 0.130 0.000 1.060 146 W CA -1.498 55.929 57.345 0.138 0.000 1.218 146 W CB 1.882 31.472 29.460 0.217 0.000 1.410 146 W HN 0.445 nan 8.180 nan 0.000 0.528 147 A N 2.972 126.003 122.820 0.351 0.000 2.520 147 A HA 0.801 5.146 4.320 0.043 0.000 0.298 147 A C -1.284 176.413 177.584 0.189 0.000 1.051 147 A CA -0.954 51.220 52.037 0.229 0.000 0.690 147 A CB 2.131 21.224 19.000 0.154 0.000 1.281 147 A HN 0.604 nan 8.150 nan 0.000 0.402 148 R N 1.956 122.554 120.500 0.164 0.000 2.451 148 R HA 0.552 4.918 4.340 0.043 0.000 0.307 148 R C 0.547 176.894 176.300 0.077 0.000 0.965 148 R CA 0.726 56.900 56.100 0.123 0.000 0.865 148 R CB 1.130 31.520 30.300 0.149 0.000 1.174 148 R HN 2.414 nan 8.270 nan 0.000 0.455 149 G N 3.020 111.857 108.800 0.062 0.000 2.539 149 G HA2 -0.279 3.707 3.960 0.043 0.000 0.256 149 G HA3 -0.279 3.707 3.960 0.043 0.000 0.256 149 G C -0.975 173.947 174.900 0.038 0.000 1.233 149 G CA 0.192 45.317 45.100 0.042 0.000 0.936 149 G HN 0.642 nan 8.290 nan 0.000 0.571 150 D N 0.589 121.002 120.400 0.022 0.000 2.389 150 D HA 0.427 5.093 4.640 0.043 0.000 0.256 150 D C 1.823 178.125 176.300 0.003 0.000 1.239 150 D CA 0.261 54.272 54.000 0.017 0.000 0.925 150 D CB 1.076 41.885 40.800 0.015 0.000 1.145 150 D HN 0.780 nan 8.370 nan 0.000 0.542 151 V N 2.065 121.980 119.914 0.001 0.000 2.332 151 V HA -0.182 3.963 4.120 0.043 0.000 0.248 151 V C 2.056 178.134 176.094 -0.026 0.000 1.055 151 V CA 1.375 63.663 62.300 -0.020 0.000 1.038 151 V CB -0.596 31.212 31.823 -0.025 0.000 0.651 151 V HN 0.322 nan 8.190 nan 0.000 0.450 152 E N 0.940 121.130 120.200 -0.016 0.000 2.077 152 E HA -0.135 4.241 4.350 0.043 0.000 0.193 152 E C 2.264 178.852 176.600 -0.020 0.000 0.989 152 E CA 2.074 58.462 56.400 -0.020 0.000 0.800 152 E CB -0.531 29.162 29.700 -0.011 0.000 0.746 152 E HN 0.759 nan 8.360 nan 0.000 0.452 153 T N 0.003 114.549 114.554 -0.013 0.000 2.737 153 T HA -0.133 4.243 4.350 0.043 0.000 0.265 153 T C 1.891 176.580 174.700 -0.018 0.000 1.038 153 T CA 1.278 63.371 62.100 -0.012 0.000 1.144 153 T CB -0.429 68.436 68.868 -0.005 0.000 0.866 153 T HN 0.293 nan 8.240 nan 0.000 0.434 154 A N 1.236 124.044 122.820 -0.021 0.000 1.902 154 A HA 0.029 4.375 4.320 0.043 0.000 0.217 154 A C 2.283 179.846 177.584 -0.036 0.000 1.181 154 A CA 1.222 53.243 52.037 -0.027 0.000 0.623 154 A CB -0.863 18.118 19.000 -0.031 0.000 0.818 154 A HN 0.470 nan 8.150 nan 0.000 0.443 155 L N -0.878 120.320 121.223 -0.043 0.000 2.217 155 L HA -0.105 4.260 4.340 0.043 0.000 0.211 155 L C 2.989 179.830 176.870 -0.048 0.000 1.107 155 L CA 0.724 55.533 54.840 -0.052 0.000 0.783 155 L CB -0.417 41.604 42.059 -0.062 0.000 0.919 155 L HN 0.426 nan 8.230 nan 0.000 0.442 156 A N 0.104 122.901 122.820 -0.039 0.000 1.902 156 A HA -0.070 4.276 4.320 0.043 0.000 0.217 156 A C 1.883 179.445 177.584 -0.038 0.000 1.181 156 A CA 1.627 53.642 52.037 -0.036 0.000 0.623 156 A CB -0.795 18.189 19.000 -0.027 0.000 0.818 156 A HN 0.402 nan 8.150 nan 0.000 0.443 157 G N -0.788 107.991 108.800 -0.035 0.000 4.486 157 G HA2 0.501 4.487 3.960 0.043 0.000 0.306 157 G HA3 0.501 4.487 3.960 0.043 0.000 0.306 157 G C 0.022 174.897 174.900 -0.043 0.000 1.331 157 G CA 0.498 45.576 45.100 -0.037 0.000 1.113 157 G HN 0.679 nan 8.290 nan 0.000 0.594 158 A N 0.415 123.204 122.820 -0.051 0.000 2.252 158 A HA 0.704 5.049 4.320 0.043 0.000 0.309 158 A C 1.492 179.027 177.584 -0.081 0.000 1.285 158 A CA 0.236 52.241 52.037 -0.052 0.000 0.900 158 A CB 0.961 19.932 19.000 -0.048 0.000 1.157 158 A HN 0.798 nan 8.150 nan 0.000 0.536 159 A N 2.197 124.964 122.820 -0.088 0.000 1.986 159 A HA -0.049 4.297 4.320 0.043 0.000 0.220 159 A C 0.993 178.333 177.584 -0.406 0.000 1.171 159 A CA 1.394 53.317 52.037 -0.190 0.000 0.640 159 A CB -0.370 18.563 19.000 -0.111 0.000 0.811 159 A HN 0.839 nan 8.150 nan 0.000 0.451 160 H N -2.620 116.422 119.070 -0.048 0.000 2.851 160 H HA 0.694 5.276 4.556 0.043 0.000 0.372 160 H C -1.566 173.719 175.328 -0.073 0.000 1.158 160 H CA -0.645 55.369 56.048 -0.056 0.000 1.159 160 H CB 1.586 31.316 29.762 -0.053 0.000 1.757 160 H HN 0.221 nan 8.280 nan 0.000 0.546 161 L N 1.293 122.542 121.223 0.042 0.000 2.513 161 L HA 0.641 5.007 4.340 0.043 0.000 0.261 161 L C -1.309 175.501 176.870 -0.101 0.000 0.945 161 L CA -0.567 54.246 54.840 -0.045 0.000 0.848 161 L CB 1.827 43.845 42.059 -0.068 0.000 1.334 161 L HN 0.761 nan 8.230 nan 0.000 0.407 162 A N 3.783 126.505 122.820 -0.163 0.000 2.359 162 A HA 0.742 5.087 4.320 0.043 0.000 0.303 162 A C -1.106 176.278 177.584 -0.333 0.000 1.066 162 A CA -0.523 51.313 52.037 -0.336 0.000 0.730 162 A CB 1.284 20.033 19.000 -0.418 0.000 1.211 162 A HN 0.699 nan 8.150 nan 0.000 0.439 163 E N 0.674 120.606 120.200 -0.448 0.000 2.222 163 E HA 0.739 5.115 4.350 0.043 0.000 0.267 163 E C 0.112 176.304 176.600 -0.681 0.000 0.963 163 E CA -0.672 55.458 56.400 -0.451 0.000 0.837 163 E CB 2.338 31.859 29.700 -0.299 0.000 1.183 163 E HN 1.010 nan 8.360 nan 0.000 0.403 164 G N -0.322 107.907 108.800 -0.951 0.000 2.328 164 G HA2 0.404 4.390 3.960 0.043 0.000 0.295 164 G HA3 0.404 4.390 3.960 0.043 0.000 0.295 164 G C -1.854 172.550 174.900 -0.826 0.000 1.413 164 G CA -0.372 44.208 45.100 -0.866 0.000 0.817 164 G HN 0.665 nan 8.290 nan 0.000 0.546 165 C N 0.252 119.506 119.300 -0.077 0.000 3.094 165 C HA 0.828 5.314 4.460 0.043 0.000 0.414 165 C C -1.483 173.820 174.990 0.521 0.000 0.993 165 C CA -0.985 58.177 59.018 0.239 0.000 1.217 165 C CB -0.302 27.497 27.740 0.099 0.000 1.603 165 C HN 1.660 nan 8.230 nan 0.000 0.564 166 F N 3.378 123.510 119.950 0.304 0.000 2.645 166 F HA 0.826 5.379 4.527 0.043 0.000 0.310 166 F C -0.596 175.333 175.800 0.214 0.000 1.102 166 F CA -0.704 57.459 58.000 0.272 0.000 0.952 166 F CB 1.125 40.328 39.000 0.339 0.000 1.326 166 F HN 0.427 nan 8.300 nan 0.000 0.456 167 E N 2.620 122.833 120.200 0.022 0.000 2.266 167 E HA 0.489 4.865 4.350 0.043 0.000 0.277 167 E C -0.811 175.650 176.600 -0.231 0.000 1.018 167 E CA -0.451 55.891 56.400 -0.097 0.000 0.840 167 E CB 2.495 32.217 29.700 0.037 0.000 1.082 167 E HN 0.639 nan 8.360 nan 0.000 0.395 168 I N 1.268 121.710 120.570 -0.213 0.000 2.439 168 I HA 0.295 4.491 4.170 0.043 0.000 0.285 168 I C 0.754 176.894 176.117 0.039 0.000 1.021 168 I CA -0.848 60.349 61.300 -0.172 0.000 1.091 168 I CB 1.886 39.768 38.000 -0.196 0.000 1.242 168 I HN 0.388 nan 8.210 nan 0.000 0.439 169 G N 3.618 112.437 108.800 0.032 0.000 2.634 169 G HA2 0.483 4.468 3.960 0.043 0.000 0.255 169 G HA3 0.483 4.468 3.960 0.043 0.000 0.255 169 G C 0.489 175.597 174.900 0.346 0.000 1.205 169 G CA -0.087 45.111 45.100 0.164 0.000 0.884 169 G HN 0.721 nan 8.290 nan 0.000 0.549 170 G N -1.601 107.408 108.800 0.348 0.000 2.485 170 G HA2 0.481 4.467 3.960 0.043 0.000 0.260 170 G HA3 0.481 4.467 3.960 0.043 0.000 0.260 170 G C -0.208 174.914 174.900 0.371 0.000 1.459 170 G CA -0.148 45.164 45.100 0.354 0.000 1.060 170 G HN 0.730 nan 8.290 nan 0.000 0.546 171 Q N -1.200 118.741 119.800 0.234 0.000 2.430 171 Q HA 0.250 4.616 4.340 0.043 0.000 0.253 171 Q C -1.819 174.314 176.000 0.222 0.000 0.945 171 Q CA -0.628 55.325 55.803 0.251 0.000 0.964 171 Q CB 1.923 30.603 28.738 -0.097 0.000 1.460 171 Q HN 0.522 nan 8.270 nan 0.000 0.428 172 E N 1.875 122.119 120.200 0.074 0.000 2.229 172 E HA 0.162 4.537 4.350 0.043 0.000 0.283 172 E C -0.078 176.448 176.600 -0.123 0.000 1.030 172 E CA 0.410 56.662 56.400 -0.246 0.000 0.836 172 E CB 0.654 29.877 29.700 -0.794 0.000 1.068 172 E HN 0.669 nan 8.360 nan 0.000 0.401 173 H N 4.214 123.138 119.070 -0.244 0.000 2.289 173 H HA -0.120 4.462 4.556 0.045 0.000 0.294 173 H C 0.267 175.403 175.328 -0.320 0.000 1.095 173 H CA 1.900 57.640 56.048 -0.513 0.000 1.256 173 H CB -0.297 29.057 29.762 -0.679 0.000 1.359 173 H HN 0.664 nan 8.280 nan 0.000 0.487 174 F N 0.170 119.780 119.950 -0.567 0.000 3.067 174 F HA -0.256 4.298 4.527 0.045 0.000 0.279 174 F C -0.771 174.885 175.800 -0.241 0.000 0.945 174 F CA -0.385 57.362 58.000 -0.421 0.000 0.948 174 F CB -2.078 36.810 39.000 -0.187 0.000 0.898 174 F HN 0.173 nan 8.300 nan 0.000 0.746 175 Y N -0.113 120.211 120.300 0.041 0.000 2.712 175 Y HA 0.179 4.757 4.550 0.047 0.000 0.333 175 Y C 1.191 176.967 175.900 -0.207 0.000 1.225 175 Y CA -0.976 57.185 58.100 0.101 0.000 1.499 175 Y CB 0.012 38.558 38.460 0.144 0.000 1.288 175 Y HN 0.123 nan 8.280 nan 0.000 0.575 176 L N 1.133 122.348 121.223 -0.014 0.000 2.046 176 L HA -0.098 4.268 4.340 0.043 0.000 0.208 176 L C 1.248 178.040 176.870 -0.130 0.000 1.077 176 L CA 1.475 56.198 54.840 -0.195 0.000 0.747 176 L CB -0.759 41.204 42.059 -0.160 0.000 0.896 176 L HN 0.892 nan 8.230 nan 0.000 0.432 177 E N 0.143 120.281 120.200 -0.102 0.000 2.289 177 E HA 0.280 4.656 4.350 0.043 0.000 0.278 177 E C 0.178 176.756 176.600 -0.036 0.000 1.032 177 E CA -0.151 56.171 56.400 -0.131 0.000 0.854 177 E CB 1.191 30.751 29.700 -0.234 0.000 1.046 177 E HN 0.219 nan 8.360 nan 0.000 0.409 178 G N 3.079 111.875 108.800 -0.007 0.000 2.588 178 G HA2 0.017 4.003 3.960 0.043 0.000 0.278 178 G HA3 0.017 4.003 3.960 0.043 0.000 0.278 178 G C -0.200 174.603 174.900 -0.160 0.000 1.307 178 G CA -0.510 44.629 45.100 0.064 0.000 1.016 178 G HN 0.554 nan 8.290 nan 0.000 0.503 179 Q N -0.558 119.173 119.800 -0.116 0.000 2.337 179 Q HA 0.471 4.837 4.340 0.043 0.000 0.270 179 Q C -0.002 175.819 176.000 -0.298 0.000 1.002 179 Q CA 0.352 55.997 55.803 -0.264 0.000 0.888 179 Q CB 1.305 29.890 28.738 -0.256 0.000 1.222 179 Q HN 0.709 nan 8.270 nan 0.000 0.400 180 A N 0.928 123.597 122.820 -0.253 0.000 2.555 180 A HA 0.781 5.127 4.320 0.043 0.000 0.297 180 A C -1.617 175.884 177.584 -0.138 0.000 1.060 180 A CA -0.035 51.886 52.037 -0.192 0.000 0.710 180 A CB 1.575 20.498 19.000 -0.129 0.000 1.282 180 A HN 0.710 nan 8.150 nan 0.000 0.399 181 A N 0.628 123.376 122.820 -0.120 0.000 2.587 181 A HA 0.889 5.235 4.320 0.043 0.000 0.293 181 A C -1.777 175.775 177.584 -0.052 0.000 1.087 181 A CA -0.435 51.559 52.037 -0.072 0.000 0.692 181 A CB 1.583 20.538 19.000 -0.076 0.000 1.291 181 A HN 2.251 nan 8.150 nan 0.000 0.407 182 L N 0.815 122.032 121.223 -0.011 0.000 2.438 182 L HA 0.856 5.222 4.340 0.043 0.000 0.270 182 L C -0.394 176.490 176.870 0.023 0.000 0.972 182 L CA -0.089 54.749 54.840 -0.002 0.000 0.831 182 L CB 1.732 43.797 42.059 0.011 0.000 1.273 182 L HN 1.307 nan 8.230 nan 0.000 0.405 183 A N 5.984 128.799 122.820 -0.009 0.000 2.303 183 A HA 0.805 5.150 4.320 0.043 0.000 0.320 183 A C -1.222 176.363 177.584 0.002 0.000 1.192 183 A CA -0.436 51.596 52.037 -0.010 0.000 0.821 183 A CB 0.655 19.635 19.000 -0.033 0.000 1.188 183 A HN 0.720 nan 8.150 nan 0.000 0.492 184 L N 4.685 125.918 121.223 0.017 0.000 2.318 184 L HA 0.368 4.733 4.340 0.043 0.000 0.277 184 L C -2.274 174.599 176.870 0.004 0.000 1.008 184 L CA -2.025 52.827 54.840 0.019 0.000 0.846 184 L CB 1.904 43.996 42.059 0.056 0.000 1.220 184 L HN 0.476 nan 8.230 nan 0.000 0.423 185 P HA 0.047 nan 4.420 nan 0.000 0.263 185 P C -0.589 176.711 177.300 0.000 0.000 1.195 185 P CA 0.060 63.159 63.100 -0.001 0.000 0.762 185 P CB 1.052 32.754 31.700 0.003 0.000 0.799 186 A N 3.346 126.164 122.820 -0.003 0.000 2.815 186 A HA 0.303 4.649 4.320 0.043 0.000 0.318 186 A C -0.001 177.578 177.584 -0.007 0.000 1.186 186 A CA -0.584 51.450 52.037 -0.004 0.000 0.754 186 A CB -0.113 18.883 19.000 -0.007 0.000 1.151 186 A HN 0.539 nan 8.150 nan 0.000 0.452 187 E N 0.752 120.949 120.200 -0.004 0.000 2.596 187 E HA -0.241 4.135 4.350 0.043 0.000 0.154 187 E C 1.236 177.831 176.600 -0.008 0.000 1.849 187 E CA 1.284 57.680 56.400 -0.006 0.000 0.629 187 E CB -1.014 28.680 29.700 -0.010 0.000 1.066 187 E HN 2.147 nan 8.360 nan 0.000 0.334 188 G N 0.154 108.953 108.800 -0.002 0.000 2.363 188 G HA2 -0.311 3.675 3.960 0.043 0.000 0.238 188 G HA3 -0.311 3.675 3.960 0.043 0.000 0.238 188 G C 0.512 175.413 174.900 0.002 0.000 1.062 188 G CA 0.234 45.334 45.100 0.001 0.000 0.629 188 G HN 1.028 nan 8.290 nan 0.000 0.514 189 G N -1.233 107.564 108.800 -0.004 0.000 3.013 189 G HA2 0.875 4.861 3.960 0.043 0.000 0.278 189 G HA3 0.875 4.861 3.960 0.043 0.000 0.278 189 G C -0.479 174.414 174.900 -0.012 0.000 1.353 189 G CA 0.386 45.483 45.100 -0.005 0.000 1.043 189 G HN 1.585 nan 8.290 nan 0.000 0.523 190 V N -2.760 117.141 119.914 -0.021 0.000 3.001 190 V HA 0.850 4.996 4.120 0.043 0.000 0.314 190 V C -0.654 175.412 176.094 -0.046 0.000 1.099 190 V CA -1.055 61.228 62.300 -0.029 0.000 0.989 190 V CB 1.622 33.426 31.823 -0.032 0.000 1.040 190 V HN 0.576 nan 8.190 nan 0.000 0.434 191 V N 4.272 124.156 119.914 -0.050 0.000 2.417 191 V HA 0.536 4.681 4.120 0.043 0.000 0.291 191 V C -0.414 175.610 176.094 -0.117 0.000 1.024 191 V CA -0.410 61.833 62.300 -0.097 0.000 0.861 191 V CB 1.444 33.219 31.823 -0.080 0.000 0.985 191 V HN 0.726 nan 8.190 nan 0.000 0.436 192 I N 4.217 124.679 120.570 -0.179 0.000 2.355 192 I HA 0.431 4.627 4.170 0.043 0.000 0.288 192 I C -0.286 175.674 176.117 -0.261 0.000 0.999 192 I CA -0.472 60.739 61.300 -0.148 0.000 1.163 192 I CB 1.120 39.057 38.000 -0.105 0.000 1.316 192 I HN 0.649 nan 8.210 nan 0.000 0.454 193 H N 5.073 124.115 119.070 -0.046 0.000 2.488 193 H HA 0.603 5.146 4.556 -0.021 0.000 0.322 193 H C -0.055 175.242 175.328 -0.052 0.000 1.078 193 H CA -0.172 55.849 56.048 -0.044 0.000 1.260 193 H CB 1.411 31.148 29.762 -0.041 0.000 1.425 193 H HN 0.818 nan 8.280 nan 0.000 0.471 194 C N 0.858 120.183 119.300 0.042 0.000 3.239 194 C HA 0.555 5.041 4.460 0.043 0.000 0.317 194 C C 0.339 175.316 174.990 -0.021 0.000 1.310 194 C CA -1.144 57.869 59.018 -0.009 0.000 1.371 194 C CB 1.391 29.107 27.740 -0.039 0.000 1.714 194 C HN 0.712 nan 8.230 nan 0.000 0.473 195 S N 1.809 117.476 115.700 -0.055 0.000 3.729 195 S HA 0.543 5.038 4.470 0.043 0.000 0.235 195 S C 0.001 174.536 174.600 -0.109 0.000 1.367 195 S CA 0.238 58.393 58.200 -0.076 0.000 0.907 195 S CB -0.930 62.205 63.200 -0.108 0.000 1.471 195 S HN 1.229 nan 8.310 nan 0.000 0.476 196 S N 2.670 118.327 115.700 -0.071 0.000 2.599 196 S HA 0.446 4.941 4.470 0.043 0.000 0.294 196 S C 0.526 175.103 174.600 -0.039 0.000 1.094 196 S CA -0.612 57.552 58.200 -0.060 0.000 0.931 196 S CB 1.662 64.843 63.200 -0.031 0.000 1.093 196 S HN 0.675 nan 8.310 nan 0.000 0.488 197 Q N 0.774 120.561 119.800 -0.021 0.000 2.408 197 Q HA 0.164 4.530 4.340 0.043 0.000 0.205 197 Q C -0.161 175.872 176.000 0.055 0.000 0.919 197 Q CA 0.399 56.197 55.803 -0.009 0.000 0.932 197 Q CB 0.239 28.963 28.738 -0.023 0.000 1.058 197 Q HN 0.761 nan 8.270 nan 0.000 0.517 198 H N -0.164 118.885 119.070 -0.035 0.000 2.607 198 H HA 0.161 4.742 4.556 0.042 0.000 0.248 198 H C -2.203 173.102 175.328 -0.039 0.000 1.355 198 H CA -2.245 53.785 56.048 -0.030 0.000 1.524 198 H CB 1.280 31.025 29.762 -0.029 0.000 1.563 198 H HN -0.035 nan 8.280 nan 0.000 0.509 199 P HA -0.098 nan 4.420 nan 0.000 0.220 199 P C 1.399 178.695 177.300 -0.007 0.000 1.148 199 P CA 0.869 63.987 63.100 0.030 0.000 0.803 199 P CB 0.435 32.144 31.700 0.015 0.000 0.782 200 S N -0.603 115.149 115.700 0.087 0.000 2.402 200 S HA -0.160 4.336 4.470 0.043 0.000 0.229 200 S C 1.925 176.402 174.600 -0.205 0.000 1.021 200 S CA 1.076 59.275 58.200 -0.003 0.000 0.974 200 S CB -0.530 62.758 63.200 0.146 0.000 0.800 200 S HN 0.332 nan 8.310 nan 0.000 0.484 201 E N 0.696 120.590 120.200 -0.510 0.000 2.158 201 E HA -0.037 4.338 4.350 0.043 0.000 0.191 201 E C 1.822 178.274 176.600 -0.246 0.000 0.982 201 E CA 0.588 56.666 56.400 -0.538 0.000 0.823 201 E CB -0.015 29.122 29.700 -0.938 0.000 0.766 201 E HN 0.288 nan 8.360 nan 0.000 0.468 202 I N 1.704 122.156 120.570 -0.197 0.000 2.163 202 I HA -0.303 3.893 4.170 0.043 0.000 0.243 202 I C 2.624 178.657 176.117 -0.140 0.000 1.085 202 I CA 1.550 62.779 61.300 -0.118 0.000 1.347 202 I CB -1.313 36.636 38.000 -0.086 0.000 1.044 202 I HN 0.409 nan 8.210 nan 0.000 0.408 203 Q N 0.375 120.064 119.800 -0.186 0.000 2.014 203 Q HA -0.315 4.050 4.340 0.043 0.000 0.207 203 Q C 2.373 178.113 176.000 -0.434 0.000 0.993 203 Q CA 2.409 58.048 55.803 -0.273 0.000 0.850 203 Q CB -0.332 28.238 28.738 -0.281 0.000 0.916 203 Q HN 0.593 nan 8.270 nan 0.000 0.417 204 H N 0.084 118.778 119.070 -0.626 0.000 2.289 204 H HA -0.144 4.437 4.556 0.042 0.000 0.294 204 H C 1.878 177.080 175.328 -0.209 0.000 1.095 204 H CA 2.359 57.985 56.048 -0.703 0.000 1.256 204 H CB 0.218 29.774 29.762 -0.344 0.000 1.359 204 H HN 0.076 nan 8.280 nan 0.000 0.487 205 K N -0.034 120.399 120.400 0.056 0.000 2.097 205 K HA -0.043 4.303 4.320 0.043 0.000 0.205 205 K C 2.380 178.984 176.600 0.007 0.000 1.050 205 K CA 0.939 57.283 56.287 0.095 0.000 0.938 205 K CB -0.396 32.143 32.500 0.066 0.000 0.718 205 K HN 0.255 nan 8.250 nan 0.000 0.442 206 V N 1.589 121.463 119.914 -0.067 0.000 2.358 206 V HA -0.195 3.951 4.120 0.043 0.000 0.246 206 V C 2.432 178.473 176.094 -0.087 0.000 1.047 206 V CA 1.796 64.055 62.300 -0.068 0.000 1.035 206 V CB -0.629 31.142 31.823 -0.085 0.000 0.658 206 V HN 0.258 nan 8.190 nan 0.000 0.452 207 A N -0.688 122.026 122.820 -0.177 0.000 1.877 207 A HA -0.281 4.065 4.320 0.043 0.000 0.216 207 A C 1.975 179.453 177.584 -0.177 0.000 1.186 207 A CA 2.251 54.174 52.037 -0.190 0.000 0.620 207 A CB -0.853 17.990 19.000 -0.261 0.000 0.822 207 A HN 0.704 nan 8.150 nan 0.000 0.443 208 H N -0.678 118.340 119.070 -0.086 0.000 2.389 208 H HA 0.081 4.663 4.556 0.044 0.000 0.299 208 H C 2.434 177.742 175.328 -0.034 0.000 1.081 208 H CA 1.252 57.255 56.048 -0.075 0.000 1.345 208 H CB -0.041 29.669 29.762 -0.086 0.000 1.393 208 H HN 0.540 nan 8.280 nan 0.000 0.520 209 A N 0.593 123.473 122.820 0.100 0.000 1.933 209 A HA -0.109 4.237 4.320 0.043 0.000 0.218 209 A C 1.993 179.648 177.584 0.117 0.000 1.175 209 A CA 1.278 53.372 52.037 0.095 0.000 0.628 209 A CB -0.387 18.641 19.000 0.047 0.000 0.814 209 A HN 0.365 nan 8.150 nan 0.000 0.444 210 L N -1.564 119.683 121.223 0.039 0.000 2.607 210 L HA 0.237 4.603 4.340 0.043 0.000 0.228 210 L C 1.491 178.309 176.870 -0.086 0.000 1.123 210 L CA 0.424 55.294 54.840 0.051 0.000 0.890 210 L CB -0.193 41.870 42.059 0.005 0.000 1.103 210 L HN 0.561 nan 8.230 nan 0.000 0.468 211 G N 1.475 110.061 108.800 -0.357 0.000 2.221 211 G HA2 -0.275 3.711 3.960 0.043 0.000 0.265 211 G HA3 -0.275 3.711 3.960 0.043 0.000 0.265 211 G C -0.089 174.627 174.900 -0.308 0.000 1.041 211 G CA 0.087 44.764 45.100 -0.706 0.000 0.807 211 G HN 0.250 nan 8.290 nan 0.000 0.502 212 L N -0.083 121.031 121.223 -0.181 0.000 2.334 212 L HA 0.789 5.155 4.340 0.043 0.000 0.273 212 L C 1.042 177.858 176.870 -0.090 0.000 1.013 212 L CA -0.737 54.047 54.840 -0.093 0.000 0.816 212 L CB 1.763 43.800 42.059 -0.037 0.000 1.278 212 L HN 0.306 nan 8.230 nan 0.000 0.431 213 A N 1.326 124.093 122.820 -0.088 0.000 2.466 213 A HA 0.155 4.501 4.320 0.043 0.000 0.238 213 A C 0.790 178.384 177.584 0.017 0.000 1.074 213 A CA -0.039 51.889 52.037 -0.180 0.000 0.774 213 A CB -0.016 18.717 19.000 -0.445 0.000 1.015 213 A HN 0.628 nan 8.150 nan 0.000 0.498 214 F N 0.950 120.732 119.950 -0.281 0.000 2.202 214 F HA -0.198 4.356 4.527 0.045 0.000 0.301 214 F C 2.298 178.076 175.800 -0.037 0.000 1.082 214 F CA 2.110 60.011 58.000 -0.165 0.000 1.313 214 F CB -1.195 37.720 39.000 -0.142 0.000 1.024 214 F HN 0.895 nan 8.300 nan 0.000 0.495 215 H N -2.332 116.809 119.070 0.117 0.000 2.568 215 H HA 0.012 4.594 4.556 0.043 0.000 0.275 215 H C 0.411 175.745 175.328 0.011 0.000 1.028 215 H CA 0.628 56.703 56.048 0.044 0.000 1.173 215 H CB -0.244 29.530 29.762 0.020 0.000 1.335 215 H HN 0.158 nan 8.280 nan 0.000 0.614 216 D N 1.207 121.780 120.400 0.289 0.000 2.433 216 D HA 0.158 4.823 4.640 0.043 0.000 0.211 216 D C -0.374 175.948 176.300 0.037 0.000 1.114 216 D CA 0.091 54.168 54.000 0.129 0.000 0.837 216 D CB 1.368 42.249 40.800 0.135 0.000 0.984 216 D HN 0.163 nan 8.370 nan 0.000 0.505 217 V N 1.045 120.970 119.914 0.018 0.000 2.531 217 V HA 0.410 4.556 4.120 0.043 0.000 0.301 217 V C -0.213 175.846 176.094 -0.058 0.000 1.034 217 V CA -0.903 61.370 62.300 -0.046 0.000 0.865 217 V CB 2.854 34.618 31.823 -0.097 0.000 0.995 217 V HN -0.115 nan 8.190 nan 0.000 0.424 218 R N 3.514 123.969 120.500 -0.075 0.000 2.476 218 R HA 0.769 5.135 4.340 0.043 0.000 0.305 218 R C -1.945 174.278 176.300 -0.130 0.000 0.965 218 R CA -0.401 55.648 56.100 -0.086 0.000 0.867 218 R CB 2.058 32.313 30.300 -0.074 0.000 1.176 218 R HN 0.523 nan 8.270 nan 0.000 0.447 219 V N 4.004 123.845 119.914 -0.122 0.000 2.370 219 V HA 0.361 4.506 4.120 0.043 0.000 0.283 219 V C -0.273 175.736 176.094 -0.143 0.000 1.023 219 V CA -0.641 61.573 62.300 -0.142 0.000 0.857 219 V CB 1.481 33.241 31.823 -0.104 0.000 0.985 219 V HN 0.811 nan 8.190 nan 0.000 0.443 220 E N 4.184 124.252 120.200 -0.221 0.000 2.183 220 E HA 0.724 5.100 4.350 0.043 0.000 0.271 220 E C -0.795 175.766 176.600 -0.065 0.000 0.919 220 E CA -0.854 55.454 56.400 -0.154 0.000 0.781 220 E CB 2.206 31.779 29.700 -0.212 0.000 1.140 220 E HN 0.576 nan 8.360 nan 0.000 0.402 221 M N 3.062 122.655 119.600 -0.011 0.000 2.215 221 M HA 0.286 4.792 4.480 0.043 0.000 0.251 221 M C -0.844 175.471 176.300 0.025 0.000 0.987 221 M CA -0.338 54.969 55.300 0.012 0.000 1.025 221 M CB 1.406 34.001 32.600 -0.009 0.000 2.064 221 M HN 0.363 nan 8.290 nan 0.000 0.473 222 R N 3.440 123.962 120.500 0.036 0.000 2.087 222 R HA 0.482 4.847 4.340 0.043 0.000 0.213 222 R C -0.269 176.064 176.300 0.055 0.000 1.137 222 R CA 1.704 57.828 56.100 0.040 0.000 1.022 222 R CB 0.534 30.839 30.300 0.007 0.000 0.920 222 R HN 0.754 nan 8.270 nan 0.000 0.451 223 R N -1.032 119.475 120.500 0.010 0.000 2.680 223 R HA 0.445 4.811 4.340 0.043 0.000 0.269 223 R C -1.279 175.060 176.300 0.065 0.000 1.026 223 R CA -0.774 55.340 56.100 0.024 0.000 0.889 223 R CB 1.213 31.507 30.300 -0.011 0.000 1.241 223 R HN -0.005 nan 8.270 nan 0.000 0.463 224 M N 0.958 120.609 119.600 0.084 0.000 2.508 224 M HA 0.386 4.892 4.480 0.043 0.000 0.327 224 M C 0.461 176.855 176.300 0.156 0.000 1.160 224 M CA -0.711 54.640 55.300 0.084 0.000 0.980 224 M CB 2.388 34.955 32.600 -0.056 0.000 1.693 224 M HN 0.965 nan 8.290 nan 0.000 0.452 225 G N 1.771 110.613 108.800 0.071 0.000 3.343 225 G HA2 0.494 4.480 3.960 0.043 0.000 0.264 225 G HA3 0.494 4.480 3.960 0.043 0.000 0.264 225 G C 0.324 175.180 174.900 -0.073 0.000 0.884 225 G CA 0.238 45.258 45.100 -0.133 0.000 1.916 225 G HN 1.088 nan 8.290 nan 0.000 0.618 226 G N -0.934 107.815 108.800 -0.085 0.000 2.705 226 G HA2 0.349 4.334 3.960 0.043 0.000 0.686 226 G HA3 0.349 4.334 3.960 0.043 0.000 0.686 226 G C 0.575 175.353 174.900 -0.203 0.000 1.285 226 G CA -0.294 44.711 45.100 -0.159 0.000 0.800 226 G HN 1.321 nan 8.290 nan 0.000 0.611 227 G N -0.839 107.688 108.800 -0.454 0.000 2.803 227 G HA2 0.533 4.519 3.960 0.043 0.000 0.212 227 G HA3 0.533 4.519 3.960 0.043 0.000 0.212 227 G C 0.820 175.711 174.900 -0.016 0.000 1.407 227 G CA 0.803 45.774 45.100 -0.215 0.000 0.624 227 G HN 1.752 nan 8.290 nan 0.000 1.024 228 F N 0.894 120.865 119.950 0.034 0.000 3.069 228 F HA -0.186 4.367 4.527 0.045 0.000 0.285 228 F C 2.004 177.814 175.800 0.018 0.000 0.827 228 F CA 1.160 59.193 58.000 0.055 0.000 1.108 228 F CB -1.476 37.575 39.000 0.085 0.000 1.252 228 F HN 1.223 nan 8.300 nan 0.000 0.483 229 G N -1.122 107.718 108.800 0.067 0.000 2.308 229 G HA2 -0.210 3.776 3.960 0.043 0.000 0.221 229 G HA3 -0.210 3.776 3.960 0.043 0.000 0.221 229 G C 1.198 176.026 174.900 -0.121 0.000 1.032 229 G CA 0.150 45.294 45.100 0.074 0.000 0.623 229 G HN 1.225 nan 8.290 nan 0.000 0.506 230 G N 0.199 108.655 108.800 -0.574 0.000 2.535 230 G HA2 0.118 4.104 3.960 0.043 0.000 0.218 230 G HA3 0.118 4.104 3.960 0.043 0.000 0.218 230 G C 1.198 175.940 174.900 -0.264 0.000 1.122 230 G CA 1.471 46.062 45.100 -0.849 0.000 0.769 230 G HN 0.545 nan 8.290 nan 0.000 0.549 231 K N -0.365 119.921 120.400 -0.191 0.000 2.455 231 K HA 0.196 4.542 4.320 0.043 0.000 0.206 231 K C 1.403 177.974 176.600 -0.049 0.000 1.027 231 K CA -0.154 56.043 56.287 -0.150 0.000 1.113 231 K CB 0.669 33.033 32.500 -0.227 0.000 0.850 231 K HN 0.289 nan 8.250 nan 0.000 0.503 232 E N 0.680 120.878 120.200 -0.002 0.000 2.158 232 E HA -0.114 4.262 4.350 0.043 0.000 0.191 232 E C 1.371 178.035 176.600 0.105 0.000 0.982 232 E CA 1.473 57.919 56.400 0.077 0.000 0.823 232 E CB 0.406 30.177 29.700 0.119 0.000 0.766 232 E HN 0.254 nan 8.360 nan 0.000 0.468 233 S N -1.577 114.168 115.700 0.075 0.000 2.784 233 S HA 0.056 4.552 4.470 0.043 0.000 0.266 233 S C 1.559 176.216 174.600 0.095 0.000 1.079 233 S CA -0.556 57.693 58.200 0.081 0.000 0.989 233 S CB 0.053 63.307 63.200 0.090 0.000 0.926 233 S HN 0.015 nan 8.310 nan 0.000 0.497 234 Q N 1.805 121.647 119.800 0.070 0.000 2.364 234 Q HA 0.085 4.451 4.340 0.043 0.000 0.209 234 Q C 1.934 178.004 176.000 0.116 0.000 0.977 234 Q CA 1.466 57.321 55.803 0.086 0.000 0.885 234 Q CB -1.018 27.758 28.738 0.063 0.000 0.941 234 Q HN 0.740 nan 8.270 nan 0.000 0.464 235 G N 1.074 109.909 108.800 0.058 0.000 2.471 235 G HA2 -0.220 3.766 3.960 0.043 0.000 0.219 235 G HA3 -0.220 3.766 3.960 0.043 0.000 0.219 235 G C 1.315 176.269 174.900 0.090 0.000 1.125 235 G CA 0.215 45.330 45.100 0.025 0.000 0.775 235 G HN 0.390 nan 8.290 nan 0.000 0.548 236 N N 0.401 119.192 118.700 0.152 0.000 2.094 236 N HA -0.178 4.587 4.740 0.043 0.000 0.191 236 N C 1.840 177.457 175.510 0.178 0.000 1.023 236 N CA 1.420 54.552 53.050 0.137 0.000 0.857 236 N CB -0.252 38.305 38.487 0.117 0.000 1.013 236 N HN 0.375 nan 8.380 nan 0.000 0.426 237 H N 0.567 119.729 119.070 0.153 0.000 2.387 237 H HA -0.031 4.550 4.556 0.042 0.000 0.299 237 H C 2.016 177.515 175.328 0.286 0.000 1.090 237 H CA 0.919 57.126 56.048 0.264 0.000 1.332 237 H CB -0.247 29.746 29.762 0.385 0.000 1.386 237 H HN 0.129 nan 8.280 nan 0.000 0.516 238 L N -0.272 121.108 121.223 0.262 0.000 2.068 238 L HA 0.009 4.375 4.340 0.043 0.000 0.204 238 L C 2.659 179.532 176.870 0.006 0.000 1.076 238 L CA 1.343 56.208 54.840 0.043 0.000 0.753 238 L CB -0.732 41.227 42.059 -0.166 0.000 0.910 238 L HN 0.263 nan 8.230 nan 0.000 0.439 239 A N -0.138 122.687 122.820 0.008 0.000 1.933 239 A HA -0.159 4.187 4.320 0.043 0.000 0.218 239 A C 2.325 179.904 177.584 -0.009 0.000 1.175 239 A CA 1.638 53.664 52.037 -0.017 0.000 0.628 239 A CB -0.793 18.191 19.000 -0.026 0.000 0.814 239 A HN 0.367 nan 8.150 nan 0.000 0.444 240 I N -0.382 120.202 120.570 0.023 0.000 2.252 240 I HA -0.263 3.933 4.170 0.043 0.000 0.245 240 I C 2.976 179.101 176.117 0.014 0.000 1.102 240 I CA 0.981 62.293 61.300 0.019 0.000 1.385 240 I CB -0.320 37.697 38.000 0.027 0.000 1.064 240 I HN 0.357 nan 8.210 nan 0.000 0.414 241 A N -0.079 122.777 122.820 0.059 0.000 1.908 241 A HA -0.246 4.100 4.320 0.043 0.000 0.218 241 A C 2.429 179.963 177.584 -0.084 0.000 1.181 241 A CA 1.988 54.038 52.037 0.021 0.000 0.627 241 A CB -1.226 17.790 19.000 0.027 0.000 0.818 241 A HN 0.546 nan 8.150 nan 0.000 0.445 242 C N -1.226 118.032 119.300 -0.071 0.000 2.466 242 C HA 0.158 4.644 4.460 0.043 0.000 0.278 242 C C 3.325 178.268 174.990 -0.078 0.000 1.288 242 C CA 0.537 59.507 59.018 -0.080 0.000 1.722 242 C CB -1.296 26.404 27.740 -0.067 0.000 2.017 242 C HN 0.707 nan 8.230 nan 0.000 0.488 243 A N 0.355 123.137 122.820 -0.064 0.000 1.908 243 A HA -0.118 4.228 4.320 0.043 0.000 0.218 243 A C 2.286 179.826 177.584 -0.073 0.000 1.181 243 A CA 2.234 54.237 52.037 -0.056 0.000 0.627 243 A CB -0.735 18.239 19.000 -0.044 0.000 0.818 243 A HN 0.367 nan 8.150 nan 0.000 0.445 244 V N -0.442 119.405 119.914 -0.111 0.000 2.323 244 V HA -0.167 3.979 4.120 0.043 0.000 0.244 244 V C 3.038 178.944 176.094 -0.313 0.000 1.041 244 V CA 1.825 64.019 62.300 -0.176 0.000 1.025 244 V CB -1.064 30.643 31.823 -0.193 0.000 0.656 244 V HN 0.611 nan 8.190 nan 0.000 0.451 245 A N -0.072 122.514 122.820 -0.390 0.000 1.930 245 A HA -0.062 4.284 4.320 0.043 0.000 0.217 245 A C 2.405 179.941 177.584 -0.079 0.000 1.175 245 A CA 1.911 53.719 52.037 -0.383 0.000 0.627 245 A CB -0.716 18.146 19.000 -0.230 0.000 0.815 245 A HN 0.545 nan 8.150 nan 0.000 0.443 246 A N -0.211 122.570 122.820 -0.064 0.000 1.902 246 A HA -0.178 4.168 4.320 0.043 0.000 0.217 246 A C 2.249 179.836 177.584 0.005 0.000 1.181 246 A CA 1.728 53.756 52.037 -0.016 0.000 0.623 246 A CB -0.530 18.455 19.000 -0.025 0.000 0.818 246 A HN 0.544 nan 8.150 nan 0.000 0.443 247 R N -0.491 120.004 120.500 -0.009 0.000 2.105 247 R HA -0.141 4.225 4.340 0.043 0.000 0.239 247 R C 2.188 178.520 176.300 0.053 0.000 1.135 247 R CA 1.553 57.664 56.100 0.018 0.000 0.967 247 R CB -0.317 29.991 30.300 0.014 0.000 0.861 247 R HN 0.474 nan 8.270 nan 0.000 0.442 248 A N -0.330 122.537 122.820 0.080 0.000 1.903 248 A HA -0.076 4.270 4.320 0.043 0.000 0.213 248 A C 2.107 179.790 177.584 0.164 0.000 1.185 248 A CA 1.513 53.654 52.037 0.173 0.000 0.628 248 A CB -0.542 18.684 19.000 0.377 0.000 0.830 248 A HN 0.573 nan 8.150 nan 0.000 0.446 249 T N -4.464 110.189 114.554 0.165 0.000 3.067 249 T HA 0.363 4.739 4.350 0.043 0.000 0.261 249 T C 1.575 176.320 174.700 0.075 0.000 1.110 249 T CA 1.233 63.411 62.100 0.130 0.000 1.113 249 T CB 0.037 68.991 68.868 0.143 0.000 0.917 249 T HN 1.663 nan 8.240 nan 0.000 0.499 250 G N 1.723 110.558 108.800 0.059 0.000 2.205 250 G HA2 -0.249 3.737 3.960 0.043 0.000 0.261 250 G HA3 -0.249 3.737 3.960 0.043 0.000 0.261 250 G C 0.254 175.170 174.900 0.027 0.000 0.980 250 G CA 0.103 45.226 45.100 0.038 0.000 0.632 250 G HN 0.696 nan 8.290 nan 0.000 0.533 251 R N 0.477 120.994 120.500 0.028 0.000 2.720 251 R HA 0.510 4.876 4.340 0.043 0.000 0.272 251 R C -2.767 173.532 176.300 -0.001 0.000 0.991 251 R CA -2.021 54.088 56.100 0.014 0.000 1.010 251 R CB 0.989 31.300 30.300 0.018 0.000 1.141 251 R HN 0.034 nan 8.270 nan 0.000 0.494 252 P HA 0.067 nan 4.420 nan 0.000 0.268 252 P C -0.701 176.563 177.300 -0.060 0.000 1.204 252 P CA -0.148 62.934 63.100 -0.031 0.000 0.768 252 P CB 0.512 32.191 31.700 -0.035 0.000 0.842 253 C N 3.896 123.158 119.300 -0.064 0.000 2.455 253 C HA 0.570 5.056 4.460 0.043 0.000 0.320 253 C C 0.123 175.047 174.990 -0.111 0.000 1.226 253 C CA -0.329 58.634 59.018 -0.092 0.000 1.569 253 C CB 1.145 28.849 27.740 -0.060 0.000 2.200 253 C HN 0.508 nan 8.230 nan 0.000 0.491 254 K N 3.080 123.383 120.400 -0.162 0.000 2.397 254 K HA 0.701 5.046 4.320 0.043 0.000 0.253 254 K C -1.498 175.060 176.600 -0.069 0.000 0.932 254 K CA -0.374 55.836 56.287 -0.128 0.000 0.795 254 K CB 1.703 34.105 32.500 -0.162 0.000 1.159 254 K HN 0.841 nan 8.250 nan 0.000 0.424 255 M N 4.619 124.176 119.600 -0.072 0.000 2.327 255 M HA 0.431 4.936 4.480 0.043 0.000 0.298 255 M C -1.717 174.513 176.300 -0.116 0.000 1.065 255 M CA -0.694 54.562 55.300 -0.073 0.000 0.916 255 M CB 1.726 34.232 32.600 -0.156 0.000 1.630 255 M HN 0.651 nan 8.290 nan 0.000 0.442 256 R N 3.510 123.975 120.500 -0.058 0.000 2.574 256 R HA 0.452 4.817 4.340 0.043 0.000 0.288 256 R C -1.900 174.465 176.300 0.108 0.000 1.004 256 R CA -0.786 55.260 56.100 -0.090 0.000 0.895 256 R CB 0.961 31.191 30.300 -0.117 0.000 1.191 256 R HN 0.598 nan 8.270 nan 0.000 0.444 257 Y N 1.831 122.180 120.300 0.081 0.000 2.511 257 Y HA -0.051 4.527 4.550 0.048 0.000 0.332 257 Y C 1.070 177.058 175.900 0.148 0.000 1.177 257 Y CA -0.321 57.853 58.100 0.124 0.000 1.422 257 Y CB 0.645 39.181 38.460 0.127 0.000 1.271 257 Y HN 0.613 nan 8.280 nan 0.000 0.550 258 D N 2.886 123.492 120.400 0.343 0.000 2.362 258 D HA -0.035 4.631 4.640 0.043 0.000 0.242 258 D C 1.164 177.591 176.300 0.211 0.000 1.132 258 D CA -0.175 53.974 54.000 0.249 0.000 0.907 258 D CB 0.982 41.898 40.800 0.193 0.000 1.195 258 D HN 0.587 nan 8.370 nan 0.000 0.429 259 R N 1.871 122.481 120.500 0.184 0.000 2.103 259 R HA -0.193 4.173 4.340 0.043 0.000 0.242 259 R C 1.282 177.687 176.300 0.174 0.000 1.142 259 R CA 2.117 58.328 56.100 0.186 0.000 0.960 259 R CB -0.138 30.273 30.300 0.185 0.000 0.858 259 R HN 0.488 nan 8.270 nan 0.000 0.439 260 D N -0.145 120.356 120.400 0.168 0.000 2.117 260 D HA -0.119 4.546 4.640 0.043 0.000 0.198 260 D C 1.362 177.708 176.300 0.077 0.000 0.982 260 D CA 1.347 55.464 54.000 0.194 0.000 0.828 260 D CB -0.385 40.551 40.800 0.227 0.000 0.967 260 D HN 0.251 nan 8.370 nan 0.000 0.464 261 D N 0.339 120.765 120.400 0.042 0.000 2.117 261 D HA -0.134 4.532 4.640 0.043 0.000 0.197 261 D C 1.658 177.857 176.300 -0.168 0.000 0.987 261 D CA 0.791 54.751 54.000 -0.068 0.000 0.829 261 D CB -0.227 40.548 40.800 -0.040 0.000 0.961 261 D HN 0.120 nan 8.370 nan 0.000 0.460 262 D N -0.311 120.080 120.400 -0.016 0.000 2.117 262 D HA -0.101 4.564 4.640 0.043 0.000 0.197 262 D C 1.995 178.332 176.300 0.062 0.000 0.987 262 D CA 0.769 54.815 54.000 0.076 0.000 0.829 262 D CB 0.052 41.045 40.800 0.321 0.000 0.961 262 D HN 0.215 nan 8.370 nan 0.000 0.460 263 M N -0.333 119.304 119.600 0.062 0.000 2.349 263 M HA -0.078 4.427 4.480 0.043 0.000 0.266 263 M C 2.258 178.574 176.300 0.027 0.000 1.076 263 M CA 0.414 55.733 55.300 0.033 0.000 1.126 263 M CB 0.281 32.898 32.600 0.028 0.000 1.392 263 M HN -0.092 nan 8.290 nan 0.000 0.440 264 V N 0.679 120.602 119.914 0.015 0.000 2.346 264 V HA -0.194 3.952 4.120 0.043 0.000 0.244 264 V C 2.139 178.311 176.094 0.129 0.000 1.037 264 V CA 1.496 63.816 62.300 0.035 0.000 1.029 264 V CB -0.345 31.443 31.823 -0.058 0.000 0.663 264 V HN 0.355 nan 8.190 nan 0.000 0.454 265 I N 0.353 120.940 120.570 0.029 0.000 2.162 265 I HA -0.091 4.105 4.170 0.043 0.000 0.238 265 I C 1.608 177.783 176.117 0.097 0.000 1.076 265 I CA 1.236 62.588 61.300 0.087 0.000 1.353 265 I CB -0.708 37.183 38.000 -0.182 0.000 1.063 265 I HN 0.428 nan 8.210 nan 0.000 0.408 266 T N 0.154 114.738 114.554 0.049 0.000 2.856 266 T HA 0.362 4.738 4.350 0.043 0.000 0.306 266 T C 0.471 175.220 174.700 0.083 0.000 1.062 266 T CA -0.368 61.788 62.100 0.093 0.000 1.083 266 T CB 0.998 69.979 68.868 0.187 0.000 0.984 266 T HN 0.295 nan 8.240 nan 0.000 0.542 267 G N 1.151 109.996 108.800 0.075 0.000 2.588 267 G HA2 0.575 4.561 3.960 0.043 0.000 0.278 267 G HA3 0.575 4.561 3.960 0.043 0.000 0.278 267 G C -0.591 174.400 174.900 0.151 0.000 1.307 267 G CA -0.847 44.296 45.100 0.071 0.000 1.016 267 G HN 0.823 nan 8.290 nan 0.000 0.503 268 K N -1.597 118.872 120.400 0.116 0.000 2.137 268 K HA 0.459 4.805 4.320 0.043 0.000 0.251 268 K C -0.125 176.536 176.600 0.102 0.000 1.048 268 K CA -0.911 55.446 56.287 0.118 0.000 0.873 268 K CB 1.028 33.589 32.500 0.102 0.000 1.442 268 K HN 0.409 nan 8.250 nan 0.000 0.467 269 R N 1.237 121.825 120.500 0.147 0.000 2.442 269 R HA 0.084 4.450 4.340 0.043 0.000 0.291 269 R C -0.755 175.613 176.300 0.113 0.000 1.069 269 R CA -0.118 56.053 56.100 0.118 0.000 1.022 269 R CB 0.043 30.261 30.300 -0.137 0.000 0.976 269 R HN 0.519 nan 8.270 nan 0.000 0.443 270 H N 2.796 121.934 119.070 0.112 0.000 3.145 270 H HA -0.053 4.529 4.556 0.043 0.000 0.288 270 H C -0.239 175.266 175.328 0.295 0.000 0.969 270 H CA 0.594 56.739 56.048 0.162 0.000 1.444 270 H CB 0.131 30.007 29.762 0.190 0.000 1.500 270 H HN 0.512 nan 8.280 nan 0.000 0.552 271 D N 3.260 123.836 120.400 0.294 0.000 2.345 271 D HA 0.127 4.793 4.640 0.043 0.000 0.247 271 D C -0.268 176.182 176.300 0.249 0.000 1.108 271 D CA -0.169 54.020 54.000 0.314 0.000 0.894 271 D CB 0.848 41.785 40.800 0.227 0.000 1.203 271 D HN 0.288 nan 8.370 nan 0.000 0.430 272 F N -0.236 119.739 119.950 0.040 0.000 2.563 272 F HA 0.378 4.931 4.527 0.042 0.000 0.316 272 F C 0.728 176.488 175.800 -0.067 0.000 1.076 272 F CA -1.229 56.762 58.000 -0.015 0.000 0.921 272 F CB 2.511 41.471 39.000 -0.066 0.000 1.209 272 F HN 0.101 nan 8.300 nan 0.000 0.462 273 R N 3.787 124.345 120.500 0.095 0.000 2.387 273 R HA 0.676 5.042 4.340 0.043 0.000 0.314 273 R C -1.639 174.756 176.300 0.159 0.000 0.958 273 R CA -0.434 55.698 56.100 0.053 0.000 0.846 273 R CB 0.984 31.307 30.300 0.038 0.000 1.147 273 R HN 0.718 nan 8.270 nan 0.000 0.447 274 I N 4.311 124.960 120.570 0.131 0.000 2.418 274 I HA 0.375 4.571 4.170 0.043 0.000 0.287 274 I C -0.087 176.288 176.117 0.431 0.000 1.008 274 I CA -0.744 60.769 61.300 0.356 0.000 1.104 274 I CB 1.881 40.130 38.000 0.414 0.000 1.264 274 I HN 0.460 nan 8.210 nan 0.000 0.438 275 R N 6.496 127.217 120.500 0.368 0.000 2.407 275 R HA 0.535 4.901 4.340 0.043 0.000 0.303 275 R C -1.658 174.829 176.300 0.312 0.000 0.981 275 R CA -0.435 55.809 56.100 0.239 0.000 0.905 275 R CB 1.146 31.512 30.300 0.111 0.000 1.099 275 R HN 0.584 nan 8.270 nan 0.000 0.459 276 Y N 0.143 120.525 120.300 0.136 0.000 2.512 276 Y HA 0.606 5.182 4.550 0.043 0.000 0.348 276 Y C -1.179 174.614 175.900 -0.179 0.000 0.990 276 Y CA -1.338 56.716 58.100 -0.077 0.000 1.033 276 Y CB 1.571 40.032 38.460 0.001 0.000 1.259 276 Y HN 0.404 nan 8.280 nan 0.000 0.461 277 R N 3.585 123.994 120.500 -0.153 0.000 2.500 277 R HA 0.607 4.973 4.340 0.043 0.000 0.299 277 R C -1.868 174.324 176.300 -0.180 0.000 1.038 277 R CA -0.621 55.386 56.100 -0.154 0.000 0.903 277 R CB 2.182 32.390 30.300 -0.153 0.000 1.177 277 R HN 0.936 nan 8.270 nan 0.000 0.455 278 I N 1.521 122.022 120.570 -0.115 0.000 2.465 278 I HA 0.649 4.844 4.170 0.043 0.000 0.291 278 I C -0.556 175.497 176.117 -0.106 0.000 1.014 278 I CA -0.446 60.771 61.300 -0.137 0.000 1.093 278 I CB 1.887 39.806 38.000 -0.134 0.000 1.267 278 I HN 0.688 nan 8.210 nan 0.000 0.431 279 G N 5.208 113.951 108.800 -0.096 0.000 2.482 279 G HA2 0.815 4.801 3.960 0.043 0.000 0.317 279 G HA3 0.815 4.801 3.960 0.043 0.000 0.317 279 G C -1.441 173.429 174.900 -0.050 0.000 1.241 279 G CA -0.436 44.625 45.100 -0.065 0.000 0.967 279 G HN 0.855 nan 8.290 nan 0.000 0.482 280 A N 0.809 123.623 122.820 -0.011 0.000 2.437 280 A HA 0.808 5.154 4.320 0.043 0.000 0.292 280 A C -0.553 177.051 177.584 0.033 0.000 1.173 280 A CA -0.688 51.350 52.037 0.002 0.000 0.785 280 A CB 1.566 20.565 19.000 -0.002 0.000 1.351 280 A HN 0.613 nan 8.150 nan 0.000 0.431 281 D N -0.726 119.694 120.400 0.034 0.000 2.423 281 D HA 0.479 5.145 4.640 0.043 0.000 0.255 281 D C 1.271 177.630 176.300 0.098 0.000 1.174 281 D CA 0.413 54.438 54.000 0.041 0.000 1.008 281 D CB 1.892 42.707 40.800 0.024 0.000 1.101 281 D HN 0.433 nan 8.370 nan 0.000 0.516 282 A N 0.713 123.575 122.820 0.070 0.000 1.969 282 A HA -0.142 4.204 4.320 0.043 0.000 0.218 282 A C 2.103 179.730 177.584 0.071 0.000 1.169 282 A CA 1.987 54.080 52.037 0.093 0.000 0.635 282 A CB -0.561 18.461 19.000 0.037 0.000 0.810 282 A HN 0.574 nan 8.150 nan 0.000 0.445 283 S N -1.980 113.743 115.700 0.039 0.000 2.428 283 S HA 0.314 4.810 4.470 0.043 0.000 0.230 283 S C 1.504 176.106 174.600 0.004 0.000 1.014 283 S CA 1.418 59.629 58.200 0.019 0.000 0.957 283 S CB -0.212 62.996 63.200 0.014 0.000 0.784 283 S HN 1.844 nan 8.310 nan 0.000 0.499 284 G N 0.375 109.178 108.800 0.006 0.000 2.205 284 G HA2 -0.129 3.857 3.960 0.043 0.000 0.180 284 G HA3 -0.129 3.857 3.960 0.043 0.000 0.180 284 G C -0.144 174.733 174.900 -0.039 0.000 1.004 284 G CA -0.366 44.717 45.100 -0.028 0.000 0.670 284 G HN 0.381 nan 8.290 nan 0.000 0.496 285 K N 0.892 121.284 120.400 -0.014 0.000 2.350 285 K HA 0.380 4.726 4.320 0.043 0.000 0.279 285 K C 1.015 177.602 176.600 -0.022 0.000 1.027 285 K CA -0.282 56.001 56.287 -0.007 0.000 0.969 285 K CB 0.950 33.467 32.500 0.028 0.000 0.954 285 K HN 0.345 nan 8.250 nan 0.000 0.474 286 L N 4.302 125.500 121.223 -0.043 0.000 2.455 286 L HA 0.001 4.366 4.340 0.043 0.000 0.272 286 L C 1.732 178.568 176.870 -0.058 0.000 1.174 286 L CA -0.083 54.716 54.840 -0.069 0.000 0.869 286 L CB 0.140 42.138 42.059 -0.102 0.000 1.130 286 L HN 0.464 nan 8.230 nan 0.000 0.474 287 L N 2.352 123.540 121.223 -0.059 0.000 2.189 287 L HA 0.354 4.720 4.340 0.043 0.000 0.199 287 L C 0.979 177.802 176.870 -0.077 0.000 1.074 287 L CA 0.472 55.279 54.840 -0.054 0.000 0.783 287 L CB -0.206 41.830 42.059 -0.038 0.000 0.955 287 L HN 0.744 nan 8.230 nan 0.000 0.460 288 G N -0.733 108.017 108.800 -0.082 0.000 2.698 288 G HA2 0.664 4.650 3.960 0.043 0.000 0.293 288 G HA3 0.664 4.650 3.960 0.043 0.000 0.293 288 G C -2.027 172.805 174.900 -0.113 0.000 1.437 288 G CA 0.038 45.086 45.100 -0.088 0.000 0.852 288 G HN 0.119 nan 8.290 nan 0.000 0.499 289 A N 0.629 123.374 122.820 -0.125 0.000 2.414 289 A HA 0.676 5.022 4.320 0.043 0.000 0.286 289 A C -1.593 175.812 177.584 -0.299 0.000 1.073 289 A CA -0.519 51.362 52.037 -0.260 0.000 0.727 289 A CB 1.911 20.794 19.000 -0.195 0.000 1.215 289 A HN 0.594 nan 8.150 nan 0.000 0.430 290 D N 1.840 122.014 120.400 -0.376 0.000 2.349 290 D HA 0.634 5.300 4.640 0.043 0.000 0.232 290 D C -1.114 174.975 176.300 -0.351 0.000 1.071 290 D CA 0.269 54.123 54.000 -0.243 0.000 0.832 290 D CB 0.297 41.019 40.800 -0.130 0.000 1.086 290 D HN 0.270 nan 8.370 nan 0.000 0.504 291 F N 2.311 122.261 119.950 0.001 0.000 2.522 291 F HA 0.559 5.112 4.527 0.043 0.000 0.324 291 F C -0.152 175.604 175.800 -0.074 0.000 1.077 291 F CA -1.019 56.969 58.000 -0.020 0.000 0.944 291 F CB 2.006 40.936 39.000 -0.117 0.000 1.175 291 F HN -0.002 nan 8.300 nan 0.000 0.468 292 V N 1.991 122.033 119.914 0.212 0.000 2.482 292 V HA 0.283 4.429 4.120 0.043 0.000 0.295 292 V C -0.882 175.366 176.094 0.257 0.000 1.026 292 V CA -0.857 61.541 62.300 0.163 0.000 0.856 292 V CB 1.291 33.215 31.823 0.168 0.000 1.001 292 V HN 0.726 nan 8.190 nan 0.000 0.424 293 H N 5.188 124.418 119.070 0.266 0.000 2.594 293 H HA 0.549 5.131 4.556 0.043 0.000 0.304 293 H C -0.622 174.809 175.328 0.172 0.000 1.068 293 H CA -0.638 55.583 56.048 0.288 0.000 1.308 293 H CB 1.301 31.279 29.762 0.361 0.000 1.409 293 H HN 0.469 nan 8.280 nan 0.000 0.460 294 L N 3.605 124.944 121.223 0.193 0.000 2.277 294 L HA 0.496 4.862 4.340 0.043 0.000 0.284 294 L C -0.038 176.640 176.870 -0.319 0.000 1.028 294 L CA -0.641 54.191 54.840 -0.014 0.000 0.835 294 L CB 0.887 42.934 42.059 -0.019 0.000 1.215 294 L HN 0.600 nan 8.230 nan 0.000 0.425 295 A N 4.337 126.869 122.820 -0.479 0.000 2.318 295 A HA 0.585 4.931 4.320 0.043 0.000 0.324 295 A C -0.394 176.997 177.584 -0.322 0.000 1.170 295 A CA -0.676 50.849 52.037 -0.853 0.000 0.810 295 A CB 1.142 19.484 19.000 -1.096 0.000 1.198 295 A HN 0.745 nan 8.150 nan 0.000 0.484 296 R N 2.521 122.887 120.500 -0.222 0.000 2.202 296 R HA 0.356 4.721 4.340 0.043 0.000 0.334 296 R C -0.426 175.880 176.300 0.010 0.000 1.036 296 R CA -0.336 55.711 56.100 -0.089 0.000 0.878 296 R CB 0.438 30.670 30.300 -0.113 0.000 1.067 296 R HN 0.790 nan 8.270 nan 0.000 0.457 297 C N 3.273 122.618 119.300 0.075 0.000 2.912 297 C HA 0.364 4.850 4.460 0.043 0.000 0.274 297 C C 1.143 176.153 174.990 0.032 0.000 1.248 297 C CA 0.431 59.533 59.018 0.140 0.000 1.694 297 C CB -0.811 27.099 27.740 0.283 0.000 2.024 297 C HN 1.130 nan 8.230 nan 0.000 0.605 298 G N 1.061 109.881 108.800 0.033 0.000 2.681 298 G HA2 -0.237 3.748 3.960 0.043 0.000 0.220 298 G HA3 -0.237 3.748 3.960 0.043 0.000 0.220 298 G C 0.334 175.334 174.900 0.165 0.000 1.353 298 G CA 0.102 45.226 45.100 0.040 0.000 0.872 298 G HN 0.657 nan 8.290 nan 0.000 0.557 299 W N 0.511 121.818 121.300 0.010 0.000 3.077 299 W HA 0.493 5.178 4.660 0.041 0.000 0.245 299 W C 0.440 177.067 176.519 0.180 0.000 1.316 299 W CA 0.923 58.331 57.345 0.107 0.000 1.537 299 W CB -0.822 28.725 29.460 0.144 0.000 1.131 299 W HN 1.339 nan 8.180 nan 0.000 0.695 300 S N -0.801 114.612 115.700 -0.479 0.000 2.550 300 S HA 0.575 5.071 4.470 0.043 0.000 0.270 300 S C 0.713 174.937 174.600 -0.626 0.000 1.145 300 S CA 0.039 57.858 58.200 -0.635 0.000 0.852 300 S CB 1.331 63.728 63.200 -1.338 0.000 1.119 300 S HN 0.108 nan 8.310 nan 0.000 0.465 301 A N 2.821 125.128 122.820 -0.855 0.000 1.851 301 A HA 0.069 4.415 4.320 0.043 0.000 0.216 301 A C 1.265 178.565 177.584 -0.473 0.000 1.195 301 A CA 2.542 54.002 52.037 -0.961 0.000 0.622 301 A CB -1.848 16.715 19.000 -0.729 0.000 0.831 301 A HN 1.374 nan 8.150 nan 0.000 0.444 302 D N -2.301 117.900 120.400 -0.332 0.000 3.927 302 D HA -0.246 4.420 4.640 0.043 0.000 0.142 302 D C 0.273 176.523 176.300 -0.084 0.000 0.830 302 D CA 2.319 56.221 54.000 -0.163 0.000 1.091 302 D CB -1.191 39.533 40.800 -0.126 0.000 0.495 302 D HN 0.250 nan 8.370 nan 0.000 0.489 303 L N 0.390 121.610 121.223 -0.005 0.000 3.110 303 L HA 0.362 4.728 4.340 0.043 0.000 0.266 303 L C 1.463 178.319 176.870 -0.024 0.000 1.257 303 L CA -0.069 54.810 54.840 0.065 0.000 1.038 303 L CB 0.538 42.730 42.059 0.222 0.000 1.395 303 L HN 0.148 nan 8.230 nan 0.000 0.566 304 S N 0.279 115.936 115.700 -0.070 0.000 2.368 304 S HA -0.178 4.318 4.470 0.043 0.000 0.224 304 S C 1.841 176.332 174.600 -0.181 0.000 1.029 304 S CA 1.256 59.363 58.200 -0.154 0.000 0.988 304 S CB -0.075 63.097 63.200 -0.048 0.000 0.838 304 S HN 0.481 nan 8.310 nan 0.000 0.462 305 L N 2.768 123.931 121.223 -0.101 0.000 1.971 305 L HA -0.092 4.274 4.340 0.043 0.000 0.215 305 L C -0.866 176.025 176.870 0.035 0.000 1.072 305 L CA 1.739 56.561 54.840 -0.030 0.000 0.758 305 L CB -1.087 40.967 42.059 -0.009 0.000 0.889 305 L HN 0.220 nan 8.230 nan 0.000 0.433 306 P HA -0.086 nan 4.420 nan 0.000 0.225 306 P C 1.941 179.343 177.300 0.170 0.000 1.156 306 P CA 1.030 64.294 63.100 0.274 0.000 0.787 306 P CB 0.063 32.046 31.700 0.471 0.000 0.802 307 V N 0.476 120.222 119.914 -0.280 0.000 2.261 307 V HA -0.242 3.903 4.120 0.043 0.000 0.246 307 V C 2.738 178.662 176.094 -0.283 0.000 1.047 307 V CA 2.181 64.069 62.300 -0.688 0.000 1.015 307 V CB -1.328 29.922 31.823 -0.955 0.000 0.642 307 V HN 0.178 nan 8.190 nan 0.000 0.446 308 C N -0.208 118.988 119.300 -0.174 0.000 2.446 308 C HA -0.074 4.411 4.460 0.043 0.000 0.279 308 C C 2.373 177.380 174.990 0.029 0.000 1.366 308 C CA 0.342 59.355 59.018 -0.009 0.000 1.763 308 C CB -1.104 26.631 27.740 -0.008 0.000 1.929 308 C HN 0.601 nan 8.230 nan 0.000 0.509 309 D N 0.543 120.988 120.400 0.074 0.000 2.144 309 D HA -0.130 4.535 4.640 0.043 0.000 0.199 309 D C 2.317 178.765 176.300 0.246 0.000 0.984 309 D CA 1.020 55.145 54.000 0.208 0.000 0.834 309 D CB -0.395 40.632 40.800 0.379 0.000 0.955 309 D HN 0.492 nan 8.370 nan 0.000 0.465 310 R N 0.135 120.752 120.500 0.195 0.000 2.161 310 R HA 0.117 4.483 4.340 0.043 0.000 0.213 310 R C 1.961 178.364 176.300 0.171 0.000 1.055 310 R CA 0.777 57.011 56.100 0.224 0.000 0.996 310 R CB 0.078 30.511 30.300 0.222 0.000 0.901 310 R HN 0.073 nan 8.270 nan 0.000 0.456 311 A N 1.007 123.845 122.820 0.030 0.000 1.902 311 A HA -0.173 4.173 4.320 0.043 0.000 0.217 311 A C 2.111 179.771 177.584 0.127 0.000 1.181 311 A CA 1.423 53.402 52.037 -0.097 0.000 0.623 311 A CB -0.354 18.449 19.000 -0.329 0.000 0.818 311 A HN 0.304 nan 8.150 nan 0.000 0.443 312 M N -1.184 118.545 119.600 0.215 0.000 2.077 312 M HA -0.085 4.421 4.480 0.043 0.000 0.261 312 M C 1.945 178.571 176.300 0.543 0.000 1.070 312 M CA 1.062 56.540 55.300 0.297 0.000 1.125 312 M CB -0.500 32.050 32.600 -0.082 0.000 1.339 312 M HN 0.281 nan 8.290 nan 0.000 0.409 313 L N -0.239 121.280 121.223 0.494 0.000 2.137 313 L HA -0.228 4.138 4.340 0.043 0.000 0.213 313 L C 1.768 178.809 176.870 0.285 0.000 1.085 313 L CA 2.030 57.012 54.840 0.236 0.000 0.760 313 L CB -1.290 40.700 42.059 -0.114 0.000 0.893 313 L HN 0.351 nan 8.230 nan 0.000 0.434 314 H N -2.364 116.863 119.070 0.262 0.000 2.594 314 H HA 0.365 4.947 4.556 0.043 0.000 0.279 314 H C 1.728 177.154 175.328 0.163 0.000 1.042 314 H CA 0.518 56.677 56.048 0.186 0.000 1.177 314 H CB 0.202 29.975 29.762 0.018 0.000 1.524 314 H HN 0.199 nan 8.280 nan 0.000 0.537 315 A N 0.759 123.720 122.820 0.235 0.000 2.239 315 A HA -0.099 4.247 4.320 0.043 0.000 0.209 315 A C 1.532 179.105 177.584 -0.017 0.000 1.171 315 A CA 1.098 53.106 52.037 -0.050 0.000 0.768 315 A CB -0.132 18.751 19.000 -0.194 0.000 0.790 315 A HN 0.535 nan 8.150 nan 0.000 0.478 316 D N -1.247 119.282 120.400 0.216 0.000 2.348 316 D HA 0.209 4.875 4.640 0.043 0.000 0.211 316 D C 1.276 177.765 176.300 0.314 0.000 0.998 316 D CA 0.962 55.145 54.000 0.306 0.000 0.873 316 D CB -0.534 40.573 40.800 0.512 0.000 0.925 316 D HN 0.523 nan 8.370 nan 0.000 0.524 317 G N 1.134 110.077 108.800 0.239 0.000 2.622 317 G HA2 -0.331 3.655 3.960 0.043 0.000 0.307 317 G HA3 -0.331 3.655 3.960 0.043 0.000 0.307 317 G C 0.589 175.473 174.900 -0.026 0.000 1.226 317 G CA 0.768 45.954 45.100 0.143 0.000 0.997 317 G HN 0.366 nan 8.290 nan 0.000 0.551 318 S N 0.766 116.166 115.700 -0.500 0.000 2.575 318 S HA 0.494 4.990 4.470 0.043 0.000 0.237 318 S C -0.497 173.927 174.600 -0.294 0.000 0.975 318 S CA 0.116 58.096 58.200 -0.366 0.000 0.960 318 S CB 0.062 63.038 63.200 -0.374 0.000 0.822 318 S HN 0.475 nan 8.310 nan 0.000 0.472 319 Y N 0.079 120.475 120.300 0.160 0.000 2.446 319 Y HA 0.537 5.113 4.550 0.043 0.000 0.345 319 Y C -0.427 175.153 175.900 -0.534 0.000 0.984 319 Y CA -1.723 56.292 58.100 -0.142 0.000 1.058 319 Y CB 0.763 39.213 38.460 -0.016 0.000 1.220 319 Y HN 0.143 nan 8.280 nan 0.000 0.455 320 F N 3.687 123.215 119.950 -0.704 0.000 2.444 320 F HA 0.545 5.098 4.527 0.043 0.000 0.360 320 F C -0.901 174.823 175.800 -0.126 0.000 1.106 320 F CA -0.771 56.914 58.000 -0.524 0.000 1.170 320 F CB 0.228 38.982 39.000 -0.409 0.000 1.113 320 F HN 0.188 nan 8.300 nan 0.000 0.521 321 V N 9.214 128.737 119.914 -0.650 0.000 2.409 321 V HA 0.266 4.411 4.120 0.043 0.000 0.291 321 V C -1.796 173.842 176.094 -0.759 0.000 1.020 321 V CA -1.414 60.568 62.300 -0.530 0.000 0.848 321 V CB 1.507 33.230 31.823 -0.167 0.000 0.990 321 V HN 0.623 nan 8.190 nan 0.000 0.430 322 P HA 0.036 nan 4.420 nan 0.000 0.220 322 P C 0.253 177.445 177.300 -0.181 0.000 1.148 322 P CA 1.078 63.917 63.100 -0.434 0.000 0.803 322 P CB 0.392 31.996 31.700 -0.159 0.000 0.782 323 A N -0.691 122.046 122.820 -0.139 0.000 2.427 323 A HA 0.717 5.063 4.320 0.043 0.000 0.298 323 A C -1.599 175.968 177.584 -0.029 0.000 1.036 323 A CA -0.506 51.502 52.037 -0.048 0.000 0.701 323 A CB 0.823 19.805 19.000 -0.029 0.000 1.250 323 A HN 0.090 nan 8.150 nan 0.000 0.412 324 L N 1.728 122.970 121.223 0.032 0.000 2.513 324 L HA 0.805 5.171 4.340 0.043 0.000 0.261 324 L C -0.768 176.169 176.870 0.111 0.000 0.945 324 L CA -0.455 54.422 54.840 0.061 0.000 0.848 324 L CB 1.968 44.073 42.059 0.077 0.000 1.334 324 L HN 0.902 nan 8.230 nan 0.000 0.407 325 R N 4.220 124.781 120.500 0.102 0.000 2.686 325 R HA 0.804 5.170 4.340 0.043 0.000 0.283 325 R C -1.915 174.469 176.300 0.140 0.000 0.978 325 R CA -0.480 55.698 56.100 0.130 0.000 0.897 325 R CB 1.749 32.100 30.300 0.084 0.000 1.192 325 R HN 0.625 nan 8.270 nan 0.000 0.457 326 I N 1.939 122.587 120.570 0.128 0.000 2.545 326 I HA 0.347 4.543 4.170 0.043 0.000 0.292 326 I C -0.676 175.413 176.117 -0.046 0.000 1.040 326 I CA -0.599 60.712 61.300 0.018 0.000 1.068 326 I CB 2.219 40.184 38.000 -0.059 0.000 1.251 326 I HN 0.574 nan 8.210 nan 0.000 0.424 327 E N 4.022 124.184 120.200 -0.064 0.000 2.145 327 E HA 0.375 4.751 4.350 0.043 0.000 0.262 327 E C -1.258 175.273 176.600 -0.115 0.000 0.883 327 E CA -0.285 56.062 56.400 -0.089 0.000 0.748 327 E CB 1.446 31.156 29.700 0.017 0.000 1.140 327 E HN 0.530 nan 8.360 nan 0.000 0.417 328 S N 4.659 120.219 115.700 -0.233 0.000 2.520 328 S HA 0.257 4.752 4.470 0.043 0.000 0.324 328 S C -0.961 173.508 174.600 -0.219 0.000 1.069 328 S CA -0.657 57.474 58.200 -0.115 0.000 1.121 328 S CB 0.200 63.330 63.200 -0.116 0.000 0.971 328 S HN 0.495 nan 8.310 nan 0.000 0.463 329 H N 5.422 124.495 119.070 0.005 0.000 2.640 329 H HA 0.272 4.853 4.556 0.043 0.000 0.297 329 H C 0.166 175.466 175.328 -0.047 0.000 1.073 329 H CA -0.638 55.398 56.048 -0.020 0.000 1.305 329 H CB 0.616 30.365 29.762 -0.022 0.000 1.404 329 H HN 0.546 nan 8.280 nan 0.000 0.459 330 R N 4.137 124.673 120.500 0.061 0.000 2.870 330 R HA 0.239 4.604 4.340 0.043 0.000 0.254 330 R C -0.342 176.028 176.300 0.118 0.000 1.392 330 R CA -0.428 55.714 56.100 0.070 0.000 1.322 330 R CB -0.387 29.970 30.300 0.095 0.000 1.205 330 R HN 0.412 nan 8.270 nan 0.000 0.597 331 L N 2.177 123.428 121.223 0.046 0.000 2.380 331 L HA 0.368 4.734 4.340 0.043 0.000 0.273 331 L C 0.923 177.785 176.870 -0.013 0.000 1.138 331 L CA -0.480 54.352 54.840 -0.013 0.000 0.832 331 L CB 0.642 42.673 42.059 -0.047 0.000 1.124 331 L HN 0.350 nan 8.230 nan 0.000 0.454 332 R N 2.046 122.442 120.500 -0.173 0.000 2.308 332 R HA 0.411 4.776 4.340 0.043 0.000 0.305 332 R C -0.548 175.697 176.300 -0.092 0.000 1.053 332 R CA -0.242 55.739 56.100 -0.199 0.000 0.957 332 R CB 1.036 30.933 30.300 -0.672 0.000 1.022 332 R HN 0.821 nan 8.270 nan 0.000 0.461 333 T N 0.219 114.763 114.554 -0.016 0.000 2.906 333 T HA 0.247 4.623 4.350 0.043 0.000 0.295 333 T C 0.042 174.769 174.700 0.045 0.000 1.061 333 T CA -1.015 61.064 62.100 -0.036 0.000 1.000 333 T CB 1.437 70.231 68.868 -0.123 0.000 1.103 333 T HN 0.652 nan 8.240 nan 0.000 0.486 334 N N 1.573 120.295 118.700 0.037 0.000 2.715 334 N HA 0.194 4.960 4.740 0.043 0.000 0.254 334 N C 0.233 175.798 175.510 0.093 0.000 1.306 334 N CA -0.149 52.972 53.050 0.118 0.000 0.956 334 N CB 0.010 38.538 38.487 0.069 0.000 1.296 334 N HN 0.801 nan 8.380 nan 0.000 0.512 335 T N -3.640 110.936 114.554 0.037 0.000 2.883 335 T HA 0.337 4.713 4.350 0.043 0.000 0.284 335 T C -0.054 174.636 174.700 -0.017 0.000 1.041 335 T CA -1.056 61.022 62.100 -0.037 0.000 1.007 335 T CB 1.033 69.618 68.868 -0.470 0.000 1.220 335 T HN -0.151 nan 8.240 nan 0.000 0.552 336 Q N 1.425 121.190 119.800 -0.059 0.000 2.310 336 Q HA 0.258 4.623 4.340 0.043 0.000 0.315 336 Q C 0.267 176.224 176.000 -0.071 0.000 1.081 336 Q CA 0.340 55.981 55.803 -0.269 0.000 0.981 336 Q CB 0.238 28.971 28.738 -0.008 0.000 1.184 336 Q HN 0.702 nan 8.270 nan 0.000 0.389 337 S N 3.732 119.392 115.700 -0.067 0.000 2.429 337 S HA 0.065 4.561 4.470 0.043 0.000 0.292 337 S C -0.111 174.393 174.600 -0.160 0.000 1.183 337 S CA -0.657 57.417 58.200 -0.210 0.000 1.088 337 S CB -0.200 62.700 63.200 -0.499 0.000 1.018 337 S HN 0.471 nan 8.310 nan 0.000 0.511 338 N N 3.310 121.874 118.700 -0.227 0.000 2.453 338 N HA 0.142 4.908 4.740 0.043 0.000 0.253 338 N C 0.335 175.708 175.510 -0.229 0.000 1.252 338 N CA 0.232 53.060 53.050 -0.370 0.000 0.917 338 N CB 1.210 39.151 38.487 -0.910 0.000 1.117 338 N HN 0.646 nan 8.380 nan 0.000 0.442 339 T N -1.093 113.436 114.554 -0.041 0.000 2.591 339 T HA 0.616 4.992 4.350 0.043 0.000 0.274 339 T C -1.071 173.785 174.700 0.260 0.000 0.945 339 T CA -0.519 61.674 62.100 0.155 0.000 1.087 339 T CB 0.654 69.600 68.868 0.131 0.000 1.416 339 T HN 0.486 nan 8.240 nan 0.000 0.514 340 A N 0.939 123.935 122.820 0.293 0.000 2.407 340 A HA 0.642 4.988 4.320 0.043 0.000 0.248 340 A C -0.818 177.054 177.584 0.479 0.000 1.082 340 A CA -0.150 52.134 52.037 0.412 0.000 0.785 340 A CB -0.505 18.829 19.000 0.556 0.000 1.020 340 A HN 0.728 nan 8.150 nan 0.000 0.489 341 F N 1.748 121.846 119.950 0.246 0.000 2.722 341 F HA 0.361 4.915 4.527 0.045 0.000 0.336 341 F C 0.445 176.173 175.800 -0.121 0.000 1.216 341 F CA -1.047 57.021 58.000 0.113 0.000 1.065 341 F CB 1.065 39.970 39.000 -0.159 0.000 1.325 341 F HN 0.821 nan 8.300 nan 0.000 0.524 342 R N 4.164 124.886 120.500 0.371 0.000 4.377 342 R HA -0.133 4.233 4.340 0.043 0.000 0.109 342 R C 0.871 176.883 176.300 -0.480 0.000 0.297 342 R CA 1.933 57.999 56.100 -0.056 0.000 0.796 342 R CB -0.806 29.467 30.300 -0.044 0.000 1.143 342 R HN 1.195 nan 8.270 nan 0.000 0.254 343 G N 3.245 111.937 108.800 -0.180 0.000 2.481 343 G HA2 -0.292 3.694 3.960 0.043 0.000 0.200 343 G HA3 -0.292 3.694 3.960 0.043 0.000 0.200 343 G C 0.220 175.245 174.900 0.208 0.000 1.012 343 G CA -0.127 44.928 45.100 -0.076 0.000 0.676 343 G HN 0.803 nan 8.290 nan 0.000 0.488 344 F N 0.784 120.699 119.950 -0.059 0.000 2.905 344 F HA 0.067 4.620 4.527 0.043 0.000 0.291 344 F C 1.772 177.538 175.800 -0.055 0.000 1.002 344 F CA 2.462 60.463 58.000 0.001 0.000 0.978 344 F CB -1.020 38.013 39.000 0.055 0.000 1.036 344 F HN 2.046 nan 8.300 nan 0.000 0.820 345 G N -0.097 108.577 108.800 -0.209 0.000 2.267 345 G HA2 -0.320 3.666 3.960 0.043 0.000 0.257 345 G HA3 -0.320 3.666 3.960 0.043 0.000 0.257 345 G C 1.624 176.366 174.900 -0.264 0.000 0.998 345 G CA 0.932 45.865 45.100 -0.277 0.000 0.620 345 G HN 1.626 nan 8.290 nan 0.000 0.529 346 G N 1.635 110.328 108.800 -0.178 0.000 2.446 346 G HA2 0.011 3.997 3.960 0.043 0.000 0.217 346 G HA3 0.011 3.997 3.960 0.043 0.000 0.217 346 G C 0.135 174.970 174.900 -0.108 0.000 1.168 346 G CA 1.969 46.898 45.100 -0.285 0.000 0.771 346 G HN 0.563 nan 8.290 nan 0.000 0.551 347 P HA -0.034 nan 4.420 nan 0.000 0.220 347 P C 1.664 179.045 177.300 0.134 0.000 1.148 347 P CA 1.069 64.247 63.100 0.130 0.000 0.803 347 P CB 0.062 31.860 31.700 0.163 0.000 0.782 348 Q N -0.589 119.155 119.800 -0.094 0.000 2.046 348 Q HA -0.024 4.342 4.340 0.043 0.000 0.200 348 Q C 2.469 178.280 176.000 -0.315 0.000 0.975 348 Q CA 1.950 57.595 55.803 -0.264 0.000 0.836 348 Q CB -1.549 26.639 28.738 -0.917 0.000 0.896 348 Q HN 0.220 nan 8.270 nan 0.000 0.428 349 G N 0.297 108.883 108.800 -0.356 0.000 2.418 349 G HA2 -0.234 3.752 3.960 0.043 0.000 0.217 349 G HA3 -0.234 3.752 3.960 0.043 0.000 0.217 349 G C 1.471 176.346 174.900 -0.042 0.000 1.158 349 G CA 0.904 45.884 45.100 -0.200 0.000 0.771 349 G HN 0.434 nan 8.290 nan 0.000 0.545 350 A N 0.433 123.283 122.820 0.050 0.000 1.873 350 A HA 0.087 4.433 4.320 0.043 0.000 0.215 350 A C 2.342 180.005 177.584 0.132 0.000 1.186 350 A CA 1.631 53.745 52.037 0.129 0.000 0.616 350 A CB -0.470 18.637 19.000 0.179 0.000 0.823 350 A HN 0.449 nan 8.150 nan 0.000 0.442 351 L N 0.250 121.553 121.223 0.133 0.000 2.131 351 L HA -0.010 4.355 4.340 0.043 0.000 0.210 351 L C 2.328 179.345 176.870 0.245 0.000 1.092 351 L CA 2.147 57.089 54.840 0.171 0.000 0.759 351 L CB -1.010 41.138 42.059 0.147 0.000 0.903 351 L HN 0.303 nan 8.230 nan 0.000 0.435 352 G N -0.581 108.345 108.800 0.209 0.000 2.446 352 G HA2 -0.357 3.629 3.960 0.043 0.000 0.217 352 G HA3 -0.357 3.629 3.960 0.043 0.000 0.217 352 G C 1.548 176.554 174.900 0.176 0.000 1.168 352 G CA 1.059 46.326 45.100 0.278 0.000 0.771 352 G HN 0.417 nan 8.290 nan 0.000 0.551 353 M N 0.530 120.149 119.600 0.033 0.000 2.213 353 M HA 0.066 4.572 4.480 0.043 0.000 0.263 353 M C 2.125 178.541 176.300 0.193 0.000 1.062 353 M CA 1.198 56.626 55.300 0.214 0.000 1.105 353 M CB -0.257 32.470 32.600 0.213 0.000 1.385 353 M HN 0.104 nan 8.290 nan 0.000 0.417 354 E N -0.361 119.938 120.200 0.166 0.000 2.076 354 E HA -0.092 4.284 4.350 0.043 0.000 0.190 354 E C 2.228 178.829 176.600 0.002 0.000 0.979 354 E CA 0.634 57.116 56.400 0.136 0.000 0.807 354 E CB -0.440 29.358 29.700 0.164 0.000 0.761 354 E HN 0.397 nan 8.360 nan 0.000 0.454 355 R N 0.775 121.230 120.500 -0.074 0.000 2.081 355 R HA -0.009 4.357 4.340 0.043 0.000 0.235 355 R C 2.062 178.155 176.300 -0.345 0.000 1.131 355 R CA 1.231 57.171 56.100 -0.267 0.000 0.960 355 R CB -0.502 29.401 30.300 -0.661 0.000 0.856 355 R HN 0.139 nan 8.270 nan 0.000 0.436 356 A N 0.671 123.184 122.820 -0.511 0.000 1.858 356 A HA -0.142 4.204 4.320 0.043 0.000 0.216 356 A C 2.307 179.747 177.584 -0.240 0.000 1.190 356 A CA 1.329 52.965 52.037 -0.669 0.000 0.617 356 A CB -0.593 18.121 19.000 -0.477 0.000 0.827 356 A HN 0.341 nan 8.150 nan 0.000 0.443 357 I N -0.715 119.761 120.570 -0.157 0.000 2.493 357 I HA -0.196 4.000 4.170 0.043 0.000 0.254 357 I C 2.320 178.373 176.117 -0.107 0.000 1.160 357 I CA 1.782 62.981 61.300 -0.168 0.000 1.445 357 I CB -0.001 37.819 38.000 -0.300 0.000 1.086 357 I HN 0.478 nan 8.210 nan 0.000 0.433 358 E N 0.147 120.307 120.200 -0.067 0.000 2.047 358 E HA -0.312 4.064 4.350 0.043 0.000 0.191 358 E C 2.251 178.885 176.600 0.057 0.000 0.987 358 E CA 1.566 57.955 56.400 -0.017 0.000 0.799 358 E CB -0.302 29.347 29.700 -0.084 0.000 0.752 358 E HN 0.488 nan 8.360 nan 0.000 0.449 359 H N -0.052 118.958 119.070 -0.099 0.000 2.353 359 H HA -0.101 4.480 4.556 0.043 0.000 0.300 359 H C 2.055 177.243 175.328 -0.234 0.000 1.090 359 H CA 1.627 57.479 56.048 -0.327 0.000 1.327 359 H CB -0.458 29.009 29.762 -0.491 0.000 1.383 359 H HN 0.276 nan 8.280 nan 0.000 0.508 360 L N 0.792 122.020 121.223 0.007 0.000 1.989 360 L HA -0.133 4.233 4.340 0.043 0.000 0.211 360 L C 2.733 179.571 176.870 -0.053 0.000 1.071 360 L CA 2.129 56.937 54.840 -0.053 0.000 0.749 360 L CB -1.216 40.785 42.059 -0.097 0.000 0.890 360 L HN 0.306 nan 8.230 nan 0.000 0.431 361 A N -0.630 122.161 122.820 -0.048 0.000 1.892 361 A HA -0.235 4.111 4.320 0.043 0.000 0.218 361 A C 2.320 179.900 177.584 -0.007 0.000 1.188 361 A CA 1.833 53.843 52.037 -0.046 0.000 0.631 361 A CB -0.558 18.427 19.000 -0.025 0.000 0.822 361 A HN 0.448 nan 8.150 nan 0.000 0.447 362 R N -0.764 119.773 120.500 0.061 0.000 2.092 362 R HA -0.098 4.268 4.340 0.043 0.000 0.231 362 R C 2.345 178.682 176.300 0.062 0.000 1.119 362 R CA 1.248 57.411 56.100 0.105 0.000 0.970 362 R CB -1.336 29.112 30.300 0.247 0.000 0.864 362 R HN 0.549 nan 8.270 nan 0.000 0.440 363 G N 1.782 110.610 108.800 0.046 0.000 2.422 363 G HA2 -0.218 3.768 3.960 0.043 0.000 0.218 363 G HA3 -0.218 3.768 3.960 0.043 0.000 0.218 363 G C 1.440 176.333 174.900 -0.011 0.000 1.146 363 G CA 0.798 45.917 45.100 0.033 0.000 0.769 363 G HN 0.421 nan 8.290 nan 0.000 0.547 364 M N -0.693 118.846 119.600 -0.103 0.000 2.419 364 M HA 0.485 4.991 4.480 0.043 0.000 0.252 364 M C 1.154 177.374 176.300 -0.133 0.000 1.143 364 M CA 0.328 55.494 55.300 -0.224 0.000 0.985 364 M CB 0.326 32.522 32.600 -0.673 0.000 1.489 364 M HN 0.196 nan 8.290 nan 0.000 0.484 365 G N 2.577 111.342 108.800 -0.058 0.000 2.338 365 G HA2 -0.291 3.695 3.960 0.043 0.000 0.296 365 G HA3 -0.291 3.695 3.960 0.043 0.000 0.296 365 G C -0.274 174.600 174.900 -0.043 0.000 1.040 365 G CA 0.520 45.601 45.100 -0.031 0.000 1.004 365 G HN 0.695 nan 8.290 nan 0.000 0.509 366 R N -0.500 119.968 120.500 -0.053 0.000 2.711 366 R HA 0.464 4.830 4.340 0.043 0.000 0.284 366 R C -0.303 175.983 176.300 -0.023 0.000 0.968 366 R CA -0.834 55.235 56.100 -0.052 0.000 0.924 366 R CB 0.887 31.134 30.300 -0.088 0.000 1.162 366 R HN 0.193 nan 8.270 nan 0.000 0.465 367 D N 3.802 124.193 120.400 -0.016 0.000 2.412 367 D HA 0.038 4.703 4.640 0.043 0.000 0.257 367 D C -1.681 174.628 176.300 0.014 0.000 1.217 367 D CA -1.378 52.627 54.000 0.008 0.000 0.897 367 D CB 1.356 42.161 40.800 0.010 0.000 1.132 367 D HN 0.229 nan 8.370 nan 0.000 0.493 368 P HA -0.160 nan 4.420 nan 0.000 0.215 368 P C 1.017 178.335 177.300 0.029 0.000 1.153 368 P CA 1.573 64.689 63.100 0.027 0.000 0.853 368 P CB 0.057 31.797 31.700 0.066 0.000 0.788 369 A N 0.212 123.090 122.820 0.097 0.000 1.865 369 A HA -0.280 4.066 4.320 0.043 0.000 0.217 369 A C 2.383 179.988 177.584 0.035 0.000 1.191 369 A CA 1.951 54.059 52.037 0.119 0.000 0.623 369 A CB -1.457 17.718 19.000 0.291 0.000 0.826 369 A HN 0.187 nan 8.150 nan 0.000 0.444 370 E N -0.684 119.535 120.200 0.032 0.000 2.085 370 E HA -0.215 4.160 4.350 0.043 0.000 0.194 370 E C 1.957 178.508 176.600 -0.082 0.000 0.994 370 E CA 1.494 57.886 56.400 -0.013 0.000 0.801 370 E CB -0.192 29.506 29.700 -0.003 0.000 0.743 370 E HN 0.443 nan 8.360 nan 0.000 0.453 371 L N 1.280 122.446 121.223 -0.095 0.000 2.017 371 L HA -0.158 4.207 4.340 0.043 0.000 0.208 371 L C 2.498 179.225 176.870 -0.239 0.000 1.073 371 L CA 1.628 56.380 54.840 -0.146 0.000 0.745 371 L CB -0.268 41.708 42.059 -0.138 0.000 0.894 371 L HN 0.013 nan 8.230 nan 0.000 0.432 372 R N -0.794 119.550 120.500 -0.260 0.000 2.073 372 R HA -0.148 4.218 4.340 0.043 0.000 0.234 372 R C 2.261 178.044 176.300 -0.861 0.000 1.134 372 R CA 1.349 57.221 56.100 -0.380 0.000 0.952 372 R CB -0.796 29.436 30.300 -0.114 0.000 0.850 372 R HN 0.497 nan 8.270 nan 0.000 0.433 373 A N 1.363 123.779 122.820 -0.672 0.000 1.917 373 A HA -0.198 4.148 4.320 0.043 0.000 0.219 373 A C 2.123 179.499 177.584 -0.347 0.000 1.182 373 A CA 1.340 53.032 52.037 -0.575 0.000 0.633 373 A CB -0.563 18.366 19.000 -0.118 0.000 0.819 373 A HN 0.251 nan 8.150 nan 0.000 0.448 374 L N -0.192 120.896 121.223 -0.226 0.000 2.191 374 L HA -0.081 4.285 4.340 0.043 0.000 0.212 374 L C 1.159 177.973 176.870 -0.094 0.000 1.103 374 L CA 1.708 56.478 54.840 -0.115 0.000 0.769 374 L CB -0.275 41.728 42.059 -0.093 0.000 0.908 374 L HN 0.381 nan 8.230 nan 0.000 0.438 375 N N -1.600 117.002 118.700 -0.165 0.000 2.234 375 N HA 0.126 4.892 4.740 0.043 0.000 0.227 375 N C -0.048 175.571 175.510 0.180 0.000 1.151 375 N CA -0.090 52.944 53.050 -0.026 0.000 0.865 375 N CB 0.297 38.710 38.487 -0.124 0.000 1.066 375 N HN 0.215 nan 8.380 nan 0.000 0.515 376 F N 0.417 120.476 119.950 0.183 0.000 2.480 376 F HA 0.071 4.624 4.527 0.043 0.000 0.319 376 F C 1.047 176.856 175.800 0.016 0.000 1.230 376 F CA -0.657 57.403 58.000 0.099 0.000 1.285 376 F CB 0.380 39.412 39.000 0.054 0.000 1.208 376 F HN -0.021 nan 8.300 nan 0.000 0.579 377 Y N 0.547 120.996 120.300 0.249 0.000 2.357 377 Y HA 0.009 4.585 4.550 0.043 0.000 0.340 377 Y C 0.549 176.466 175.900 0.028 0.000 1.260 377 Y CA -0.482 57.677 58.100 0.098 0.000 1.425 377 Y CB 0.161 38.629 38.460 0.012 0.000 1.326 377 Y HN 0.371 nan 8.280 nan 0.000 0.580 378 D N 2.730 123.215 120.400 0.143 0.000 2.341 378 D HA 0.171 4.837 4.640 0.043 0.000 0.245 378 D C -2.285 174.022 176.300 0.012 0.000 1.106 378 D CA -1.191 52.838 54.000 0.048 0.000 0.905 378 D CB 0.591 41.389 40.800 -0.003 0.000 1.202 378 D HN 0.228 nan 8.370 nan 0.000 0.426 379 P HA 0.156 nan 4.420 nan 0.000 0.270 379 P C -2.434 174.853 177.300 -0.021 0.000 1.223 379 P CA -0.823 62.253 63.100 -0.039 0.000 0.785 379 P CB -0.308 31.379 31.700 -0.022 0.000 0.923 380 P HA 0.107 nan 4.420 nan 0.000 0.268 380 P C -0.380 176.923 177.300 0.004 0.000 1.205 380 P CA 0.490 63.589 63.100 -0.002 0.000 0.771 380 P CB 0.077 31.782 31.700 0.008 0.000 0.858 399 K N 0.775 121.168 120.400 -0.012 0.000 2.174 399 K HA 0.432 4.777 4.320 0.043 0.000 0.275 399 K C -0.601 175.987 176.600 -0.020 0.000 1.015 399 K CA -0.353 55.929 56.287 -0.008 0.000 0.933 399 K CB 0.427 32.929 32.500 0.002 0.000 1.025 399 K HN 0.562 nan 8.250 nan 0.000 0.463 400 T N 2.832 117.380 114.554 -0.010 0.000 2.930 400 T HA 0.034 4.409 4.350 0.043 0.000 0.306 400 T C 0.319 175.010 174.700 -0.015 0.000 1.045 400 T CA -0.302 61.789 62.100 -0.014 0.000 1.134 400 T CB 0.319 69.189 68.868 0.003 0.000 0.961 400 T HN 0.388 nan 8.240 nan 0.000 0.545 401 Q N 1.703 121.479 119.800 -0.040 0.000 2.361 401 Q HA 0.290 4.655 4.340 0.043 0.000 0.276 401 Q C 0.791 176.869 176.000 0.130 0.000 1.022 401 Q CA -0.062 55.733 55.803 -0.013 0.000 0.898 401 Q CB 0.371 29.058 28.738 -0.086 0.000 1.246 401 Q HN 0.814 nan 8.270 nan 0.000 0.410 402 T N -1.885 112.807 114.554 0.229 0.000 2.950 402 T HA 0.501 4.876 4.350 0.043 0.000 0.288 402 T C 0.352 175.177 174.700 0.209 0.000 1.035 402 T CA -0.834 61.345 62.100 0.132 0.000 1.028 402 T CB 1.482 70.381 68.868 0.052 0.000 1.109 402 T HN 0.651 nan 8.240 nan 0.000 0.514 403 T N -0.715 113.783 114.554 -0.092 0.000 2.698 403 T HA 0.137 4.513 4.350 0.043 0.000 0.295 403 T C 1.571 176.160 174.700 -0.184 0.000 1.007 403 T CA -0.030 61.944 62.100 -0.210 0.000 0.980 403 T CB 0.015 68.301 68.868 -0.969 0.000 1.036 403 T HN 0.913 nan 8.240 nan 0.000 0.526 404 H N -0.013 119.040 119.070 -0.030 0.000 2.491 404 H HA -0.089 4.493 4.556 0.043 0.000 0.290 404 H C 1.468 176.861 175.328 0.108 0.000 1.050 404 H CA 1.498 57.600 56.048 0.090 0.000 1.309 404 H CB -0.764 29.130 29.762 0.219 0.000 1.392 404 H HN 0.922 nan 8.280 nan 0.000 0.554 405 Y N -0.538 119.562 120.300 -0.333 0.000 2.461 405 Y HA 0.479 5.055 4.550 0.043 0.000 0.277 405 Y C 1.364 177.179 175.900 -0.140 0.000 1.182 405 Y CA -0.426 57.517 58.100 -0.261 0.000 1.276 405 Y CB -0.024 38.189 38.460 -0.413 0.000 1.087 405 Y HN 0.226 nan 8.280 nan 0.000 0.519 406 G N 1.038 109.667 108.800 -0.285 0.000 2.248 406 G HA2 -0.292 3.694 3.960 0.043 0.000 0.263 406 G HA3 -0.292 3.694 3.960 0.043 0.000 0.263 406 G C -0.427 174.377 174.900 -0.160 0.000 1.082 406 G CA 0.192 45.204 45.100 -0.146 0.000 0.863 406 G HN 0.611 nan 8.290 nan 0.000 0.495 407 Q N -0.177 119.428 119.800 -0.325 0.000 2.331 407 Q HA 0.417 4.783 4.340 0.043 0.000 0.267 407 Q C 0.116 176.064 176.000 -0.087 0.000 1.006 407 Q CA -0.679 55.032 55.803 -0.153 0.000 0.818 407 Q CB 1.080 29.773 28.738 -0.075 0.000 1.276 407 Q HN 0.527 nan 8.270 nan 0.000 0.450 408 E N 1.742 121.937 120.200 -0.007 0.000 2.415 408 E HA 0.066 4.441 4.350 0.043 0.000 0.263 408 E C -0.761 175.860 176.600 0.035 0.000 0.995 408 E CA -0.007 56.400 56.400 0.011 0.000 0.915 408 E CB 1.006 30.721 29.700 0.025 0.000 0.951 408 E HN 0.332 nan 8.360 nan 0.000 0.449 409 V N 3.301 123.185 119.914 -0.051 0.000 2.192 409 V HA 0.191 4.337 4.120 0.043 0.000 0.264 409 V C 0.578 176.652 176.094 -0.032 0.000 1.155 409 V CA -0.167 62.061 62.300 -0.121 0.000 1.005 409 V CB 0.527 31.970 31.823 -0.634 0.000 1.201 409 V HN 0.735 nan 8.190 nan 0.000 0.468 410 A N 2.450 125.301 122.820 0.052 0.000 2.411 410 A HA 0.237 4.583 4.320 0.043 0.000 0.251 410 A C 1.018 178.637 177.584 0.057 0.000 1.317 410 A CA 0.427 52.490 52.037 0.043 0.000 0.904 410 A CB -0.176 18.853 19.000 0.048 0.000 0.993 410 A HN 0.762 nan 8.150 nan 0.000 0.504 411 D N -2.396 118.051 120.400 0.078 0.000 2.651 411 D HA 0.033 4.699 4.640 0.043 0.000 0.280 411 D C -0.303 175.951 176.300 -0.078 0.000 1.496 411 D CA -0.217 53.840 54.000 0.095 0.000 0.792 411 D CB -1.164 39.783 40.800 0.246 0.000 1.144 411 D HN 0.073 nan 8.370 nan 0.000 0.470 412 C N 2.104 121.268 119.300 -0.228 0.000 2.416 412 C HA 0.372 4.858 4.460 0.043 0.000 0.355 412 C C 1.685 176.310 174.990 -0.609 0.000 1.211 412 C CA -0.301 58.334 59.018 -0.638 0.000 1.699 412 C CB -0.792 26.757 27.740 -0.319 0.000 2.310 412 C HN 0.326 nan 8.230 nan 0.000 0.539 413 V N 5.082 124.449 119.914 -0.912 0.000 3.542 413 V HA 0.174 4.320 4.120 0.043 0.000 0.296 413 V C 1.505 177.157 176.094 -0.737 0.000 1.364 413 V CA 0.589 62.503 62.300 -0.644 0.000 1.118 413 V CB -0.857 30.612 31.823 -0.589 0.000 0.972 413 V HN 0.850 nan 8.190 nan 0.000 0.430 414 L N 1.471 122.220 121.223 -0.790 0.000 2.083 414 L HA 0.035 4.401 4.340 0.043 0.000 0.209 414 L C 2.749 179.264 176.870 -0.592 0.000 1.083 414 L CA 1.860 56.215 54.840 -0.810 0.000 0.752 414 L CB -0.858 40.529 42.059 -1.120 0.000 0.899 414 L HN 0.512 nan 8.230 nan 0.000 0.433 415 G N -0.524 108.078 108.800 -0.329 0.000 2.491 415 G HA2 -0.336 3.650 3.960 0.043 0.000 0.218 415 G HA3 -0.336 3.650 3.960 0.043 0.000 0.218 415 G C 1.457 176.322 174.900 -0.059 0.000 1.180 415 G CA 0.972 46.061 45.100 -0.018 0.000 0.774 415 G HN 0.421 nan 8.290 nan 0.000 0.562 416 E N -0.246 119.875 120.200 -0.131 0.000 2.047 416 E HA -0.048 4.328 4.350 0.043 0.000 0.191 416 E C 2.477 179.000 176.600 -0.129 0.000 0.987 416 E CA 0.685 57.049 56.400 -0.060 0.000 0.799 416 E CB -0.195 29.525 29.700 0.032 0.000 0.752 416 E HN 0.409 nan 8.360 nan 0.000 0.449 417 L N 0.423 121.355 121.223 -0.484 0.000 1.970 417 L HA -0.203 4.163 4.340 0.043 0.000 0.212 417 L C 2.424 179.177 176.870 -0.195 0.000 1.071 417 L CA 1.256 55.767 54.840 -0.549 0.000 0.751 417 L CB -0.273 41.221 42.059 -0.942 0.000 0.889 417 L HN 0.061 nan 8.230 nan 0.000 0.432 418 V N -0.124 119.677 119.914 -0.187 0.000 2.324 418 V HA -0.348 3.798 4.120 0.043 0.000 0.250 418 V C 2.544 178.641 176.094 0.006 0.000 1.060 418 V CA 2.386 64.651 62.300 -0.059 0.000 1.042 418 V CB -1.015 30.841 31.823 0.054 0.000 0.650 418 V HN 0.598 nan 8.190 nan 0.000 0.450 419 T N -0.384 114.190 114.554 0.033 0.000 2.635 419 T HA -0.307 4.069 4.350 0.043 0.000 0.267 419 T C 2.013 176.755 174.700 0.071 0.000 1.040 419 T CA 2.068 64.207 62.100 0.066 0.000 1.156 419 T CB -0.342 68.570 68.868 0.073 0.000 0.863 419 T HN 0.410 nan 8.240 nan 0.000 0.430 420 R N 0.387 120.939 120.500 0.086 0.000 2.096 420 R HA -0.121 4.245 4.340 0.043 0.000 0.240 420 R C 2.463 178.813 176.300 0.083 0.000 1.139 420 R CA 1.557 57.725 56.100 0.113 0.000 0.952 420 R CB -0.575 29.847 30.300 0.204 0.000 0.854 420 R HN 0.326 nan 8.270 nan 0.000 0.436 421 L N 1.082 122.338 121.223 0.054 0.000 2.083 421 L HA -0.166 4.200 4.340 0.043 0.000 0.209 421 L C 2.088 178.962 176.870 0.007 0.000 1.083 421 L CA 1.717 56.571 54.840 0.023 0.000 0.752 421 L CB -0.240 41.810 42.059 -0.016 0.000 0.899 421 L HN 0.265 nan 8.230 nan 0.000 0.433 422 Q N -0.779 119.027 119.800 0.010 0.000 2.119 422 Q HA -0.165 4.201 4.340 0.043 0.000 0.201 422 Q C 1.944 178.024 176.000 0.133 0.000 0.972 422 Q CA 1.319 57.158 55.803 0.060 0.000 0.847 422 Q CB -0.001 28.805 28.738 0.113 0.000 0.903 422 Q HN 0.447 nan 8.270 nan 0.000 0.433 423 K N 0.358 120.818 120.400 0.100 0.000 2.031 423 K HA -0.059 4.286 4.320 0.043 0.000 0.205 423 K C 2.251 178.897 176.600 0.078 0.000 1.049 423 K CA 1.599 57.940 56.287 0.091 0.000 0.939 423 K CB -0.695 31.851 32.500 0.076 0.000 0.717 423 K HN 0.199 nan 8.250 nan 0.000 0.438 424 S N 1.269 117.009 115.700 0.068 0.000 2.402 424 S HA -0.010 4.486 4.470 0.043 0.000 0.229 424 S C 2.152 176.786 174.600 0.056 0.000 1.021 424 S CA 0.963 59.198 58.200 0.057 0.000 0.974 424 S CB -0.251 62.981 63.200 0.054 0.000 0.800 424 S HN 0.286 nan 8.310 nan 0.000 0.484 425 A N 1.508 124.366 122.820 0.064 0.000 2.218 425 A HA 0.273 4.619 4.320 0.043 0.000 0.209 425 A C 0.862 178.508 177.584 0.103 0.000 1.168 425 A CA 0.234 52.313 52.037 0.069 0.000 0.804 425 A CB -0.913 18.117 19.000 0.050 0.000 0.834 425 A HN 0.727 nan 8.150 nan 0.000 0.482 426 N N -1.739 117.027 118.700 0.110 0.000 2.681 426 N HA -0.212 4.554 4.740 0.043 0.000 0.259 426 N C 0.234 175.841 175.510 0.161 0.000 1.066 426 N CA 0.463 53.579 53.050 0.109 0.000 0.717 426 N CB -0.923 37.603 38.487 0.066 0.000 0.885 426 N HN 0.396 nan 8.380 nan 0.000 0.547 427 F N 1.238 121.198 119.950 0.016 0.000 2.098 427 F HA -0.036 4.517 4.527 0.043 0.000 0.294 427 F C 2.429 178.236 175.800 0.013 0.000 1.107 427 F CA 2.036 60.045 58.000 0.015 0.000 1.234 427 F CB -0.690 38.325 39.000 0.025 0.000 1.002 427 F HN 0.255 nan 8.300 nan 0.000 0.472 428 T N -0.497 114.005 114.554 -0.086 0.000 2.708 428 T HA -0.178 4.198 4.350 0.043 0.000 0.266 428 T C 1.873 176.484 174.700 -0.149 0.000 1.037 428 T CA 2.159 64.142 62.100 -0.196 0.000 1.146 428 T CB -0.866 67.964 68.868 -0.063 0.000 0.865 428 T HN 0.288 nan 8.240 nan 0.000 0.435 429 T N 2.056 116.573 114.554 -0.063 0.000 2.708 429 T HA -0.060 4.316 4.350 0.043 0.000 0.266 429 T C 2.120 176.788 174.700 -0.053 0.000 1.037 429 T CA 0.824 62.899 62.100 -0.041 0.000 1.146 429 T CB -0.203 68.662 68.868 -0.007 0.000 0.865 429 T HN 0.288 nan 8.240 nan 0.000 0.435 430 R N 0.619 121.092 120.500 -0.045 0.000 2.091 430 R HA -0.051 4.315 4.340 0.043 0.000 0.238 430 R C 2.730 178.978 176.300 -0.087 0.000 1.136 430 R CA 1.329 57.405 56.100 -0.040 0.000 0.959 430 R CB -0.277 30.030 30.300 0.012 0.000 0.856 430 R HN 0.311 nan 8.270 nan 0.000 0.437 431 R N 0.213 120.601 120.500 -0.186 0.000 2.081 431 R HA -0.124 4.241 4.340 0.043 0.000 0.235 431 R C 2.210 178.435 176.300 -0.124 0.000 1.131 431 R CA 1.602 57.570 56.100 -0.221 0.000 0.960 431 R CB -0.228 29.812 30.300 -0.433 0.000 0.856 431 R HN 0.225 nan 8.270 nan 0.000 0.436 432 A N 0.802 123.558 122.820 -0.107 0.000 1.902 432 A HA -0.185 4.161 4.320 0.043 0.000 0.217 432 A C 1.874 179.447 177.584 -0.018 0.000 1.181 432 A CA 1.614 53.617 52.037 -0.056 0.000 0.623 432 A CB -0.457 18.513 19.000 -0.050 0.000 0.818 432 A HN 0.463 nan 8.150 nan 0.000 0.443 433 E N -0.506 119.686 120.200 -0.014 0.000 2.160 433 E HA -0.164 4.212 4.350 0.043 0.000 0.195 433 E C 1.776 178.410 176.600 0.057 0.000 0.991 433 E CA 1.185 57.598 56.400 0.022 0.000 0.810 433 E CB -0.272 29.433 29.700 0.008 0.000 0.742 433 E HN 0.724 nan 8.360 nan 0.000 0.466 434 I N 0.779 121.360 120.570 0.017 0.000 2.353 434 I HA -0.193 4.003 4.170 0.043 0.000 0.248 434 I C 2.501 178.678 176.117 0.100 0.000 1.119 434 I CA 0.647 61.971 61.300 0.041 0.000 1.417 434 I CB -0.201 37.779 38.000 -0.032 0.000 1.078 434 I HN 0.058 nan 8.210 nan 0.000 0.421 435 A N 0.923 123.769 122.820 0.043 0.000 1.892 435 A HA -0.254 4.092 4.320 0.043 0.000 0.218 435 A C 2.534 180.154 177.584 0.060 0.000 1.188 435 A CA 2.189 54.248 52.037 0.037 0.000 0.631 435 A CB -0.960 18.040 19.000 -0.000 0.000 0.822 435 A HN 0.431 nan 8.150 nan 0.000 0.447 436 A N -1.879 120.982 122.820 0.069 0.000 1.877 436 A HA -0.167 4.179 4.320 0.043 0.000 0.216 436 A C 2.026 179.668 177.584 0.097 0.000 1.186 436 A CA 1.534 53.609 52.037 0.064 0.000 0.620 436 A CB -0.978 18.056 19.000 0.057 0.000 0.822 436 A HN 0.833 nan 8.150 nan 0.000 0.443 437 W N 1.381 122.664 121.300 -0.027 0.000 2.338 437 W HA -0.198 4.488 4.660 0.043 0.000 0.304 437 W C 1.888 178.390 176.519 -0.028 0.000 1.212 437 W CA 1.939 59.269 57.345 -0.025 0.000 1.264 437 W CB -0.105 29.341 29.460 -0.024 0.000 1.142 437 W HN 0.360 nan 8.180 nan 0.000 0.512 438 N N -0.069 118.808 118.700 0.296 0.000 2.120 438 N HA -0.173 4.593 4.740 0.043 0.000 0.188 438 N C 1.793 177.291 175.510 -0.021 0.000 1.024 438 N CA 2.100 55.249 53.050 0.164 0.000 0.852 438 N CB -1.073 37.502 38.487 0.145 0.000 1.003 438 N HN 0.248 nan 8.380 nan 0.000 0.424 439 S N -1.183 114.501 115.700 -0.026 0.000 2.607 439 S HA 0.051 4.547 4.470 0.043 0.000 0.224 439 S C 1.401 175.936 174.600 -0.107 0.000 0.969 439 S CA 0.607 58.773 58.200 -0.057 0.000 0.927 439 S CB -0.145 63.035 63.200 -0.032 0.000 0.772 439 S HN 0.194 nan 8.310 nan 0.000 0.533 440 T N 1.012 115.456 114.554 -0.183 0.000 3.014 440 T HA 0.266 4.641 4.350 0.043 0.000 0.250 440 T C 0.172 174.678 174.700 -0.322 0.000 1.060 440 T CA -0.157 61.799 62.100 -0.239 0.000 1.040 440 T CB -0.138 68.564 68.868 -0.277 0.000 0.971 440 T HN 0.388 nan 8.240 nan 0.000 0.497 441 N N 1.130 119.595 118.700 -0.391 0.000 2.404 441 N HA 0.552 5.318 4.740 0.043 0.000 0.297 441 N C 0.757 176.146 175.510 -0.201 0.000 1.163 441 N CA -0.867 51.949 53.050 -0.391 0.000 0.864 441 N CB 1.433 39.507 38.487 -0.688 0.000 1.247 441 N HN 0.209 nan 8.380 nan 0.000 0.510 442 R N -1.341 119.071 120.500 -0.147 0.000 2.539 442 R HA 0.277 4.642 4.340 0.043 0.000 0.342 442 R C -0.215 176.052 176.300 -0.056 0.000 0.941 442 R CA -0.063 55.986 56.100 -0.084 0.000 1.146 442 R CB 0.051 30.306 30.300 -0.074 0.000 1.541 442 R HN 0.387 nan 8.270 nan 0.000 0.525 443 T N 0.632 115.153 114.554 -0.056 0.000 3.038 443 T HA 0.370 4.746 4.350 0.043 0.000 0.244 443 T C 0.314 175.022 174.700 0.014 0.000 1.016 443 T CA 0.266 62.352 62.100 -0.023 0.000 1.098 443 T CB 0.300 69.155 68.868 -0.022 0.000 0.954 443 T HN -0.009 nan 8.240 nan 0.000 0.469 444 L N 1.386 122.633 121.223 0.040 0.000 2.329 444 L HA 0.801 5.167 4.340 0.043 0.000 0.279 444 L C -0.630 176.406 176.870 0.276 0.000 1.014 444 L CA -1.110 53.832 54.840 0.170 0.000 0.814 444 L CB 1.706 43.957 42.059 0.320 0.000 1.257 444 L HN 0.057 nan 8.230 nan 0.000 0.424 445 A N 3.500 126.466 122.820 0.245 0.000 2.371 445 A HA 0.746 5.092 4.320 0.043 0.000 0.311 445 A C -0.702 176.963 177.584 0.134 0.000 1.068 445 A CA -0.723 51.457 52.037 0.239 0.000 0.744 445 A CB 1.354 20.403 19.000 0.082 0.000 1.239 445 A HN 0.722 nan 8.150 nan 0.000 0.435 446 R N 0.480 121.044 120.500 0.107 0.000 2.532 446 R HA 0.671 5.037 4.340 0.043 0.000 0.272 446 R C 0.022 176.289 176.300 -0.056 0.000 1.032 446 R CA -0.185 55.858 56.100 -0.095 0.000 1.089 446 R CB 1.942 32.086 30.300 -0.260 0.000 1.098 446 R HN 0.885 nan 8.270 nan 0.000 0.526 447 G N 1.284 110.036 108.800 -0.081 0.000 2.731 447 G HA2 0.562 4.548 3.960 0.043 0.000 0.298 447 G HA3 0.562 4.548 3.960 0.043 0.000 0.298 447 G C -1.627 173.255 174.900 -0.031 0.000 1.424 447 G CA -0.464 44.603 45.100 -0.056 0.000 1.029 447 G HN 0.498 nan 8.290 nan 0.000 0.518 448 I N 0.952 121.531 120.570 0.015 0.000 2.647 448 I HA 0.835 5.031 4.170 0.043 0.000 0.295 448 I C -0.450 175.756 176.117 0.148 0.000 1.078 448 I CA -0.845 60.505 61.300 0.082 0.000 1.048 448 I CB 2.130 40.200 38.000 0.117 0.000 1.239 448 I HN 0.865 nan 8.210 nan 0.000 0.421 449 A N 6.773 129.688 122.820 0.159 0.000 2.594 449 A HA 0.719 5.065 4.320 0.043 0.000 0.295 449 A C -2.195 175.436 177.584 0.078 0.000 1.071 449 A CA -0.553 51.580 52.037 0.159 0.000 0.685 449 A CB 1.753 20.820 19.000 0.111 0.000 1.285 449 A HN 0.767 nan 8.150 nan 0.000 0.405 450 L N 1.665 122.910 121.223 0.038 0.000 2.356 450 L HA 0.842 5.208 4.340 0.043 0.000 0.277 450 L C -0.267 176.634 176.870 0.051 0.000 0.996 450 L CA -0.062 54.739 54.840 -0.065 0.000 0.822 450 L CB 1.970 43.856 42.059 -0.289 0.000 1.256 450 L HN 0.983 nan 8.230 nan 0.000 0.413 451 S N 4.932 120.676 115.700 0.072 0.000 2.538 451 S HA 0.805 5.301 4.470 0.043 0.000 0.288 451 S C -2.956 171.721 174.600 0.128 0.000 1.108 451 S CA -1.234 57.046 58.200 0.133 0.000 0.971 451 S CB 1.954 65.237 63.200 0.138 0.000 1.041 451 S HN 0.520 nan 8.310 nan 0.000 0.483 452 P HA 0.642 nan 4.420 nan 0.000 0.283 452 P C -1.202 176.142 177.300 0.073 0.000 1.278 452 P CA -0.855 62.297 63.100 0.087 0.000 0.834 452 P CB 1.169 32.931 31.700 0.103 0.000 1.150 453 V N 0.657 120.590 119.914 0.033 0.000 2.638 453 V HA 0.449 4.594 4.120 0.043 0.000 0.306 453 V C -0.131 175.967 176.094 0.006 0.000 1.052 453 V CA -0.448 61.891 62.300 0.065 0.000 0.885 453 V CB 1.785 33.674 31.823 0.110 0.000 0.999 453 V HN 0.565 nan 8.190 nan 0.000 0.424 454 K N 4.660 125.064 120.400 0.007 0.000 2.616 454 K HA 0.506 4.852 4.320 0.043 0.000 0.241 454 K C -2.042 174.590 176.600 0.054 0.000 0.961 454 K CA -0.418 55.764 56.287 -0.174 0.000 0.942 454 K CB 1.115 33.502 32.500 -0.189 0.000 1.153 454 K HN 0.527 nan 8.250 nan 0.000 0.452 455 F N 2.628 122.514 119.950 -0.107 0.000 2.449 455 F HA 0.506 5.058 4.527 0.043 0.000 0.342 455 F C 0.413 176.127 175.800 -0.144 0.000 1.127 455 F CA -0.340 57.685 58.000 0.042 0.000 0.975 455 F CB 1.551 40.512 39.000 -0.065 0.000 1.146 455 F HN 0.603 nan 8.300 nan 0.000 0.444 456 G N 6.190 114.586 108.800 -0.673 0.000 2.483 456 G HA2 0.423 4.409 3.960 0.043 0.000 0.248 456 G HA3 0.423 4.409 3.960 0.043 0.000 0.248 456 G C -0.863 173.189 174.900 -1.412 0.000 1.248 456 G CA -0.463 43.594 45.100 -1.738 0.000 0.838 456 G HN 0.492 nan 8.290 nan 0.000 0.566 457 I N 1.027 120.966 120.570 -1.052 0.000 2.389 457 I HA 0.578 4.774 4.170 0.043 0.000 0.288 457 I C 0.199 176.120 176.117 -0.327 0.000 0.999 457 I CA -0.224 60.678 61.300 -0.663 0.000 1.129 457 I CB 0.467 37.861 38.000 -1.011 0.000 1.288 457 I HN 0.527 nan 8.210 nan 0.000 0.444 458 S N 4.356 119.943 115.700 -0.188 0.000 2.717 458 S HA 0.145 4.641 4.470 0.043 0.000 0.274 458 S C -0.842 173.685 174.600 -0.121 0.000 0.760 458 S CA -0.918 57.215 58.200 -0.112 0.000 1.143 458 S CB 0.027 63.222 63.200 -0.009 0.000 1.427 458 S HN 0.324 nan 8.310 nan 0.000 0.478 459 F N 2.334 122.252 119.950 -0.053 0.000 2.543 459 F HA 0.166 4.719 4.527 0.042 0.000 0.375 459 F C 2.268 178.027 175.800 -0.067 0.000 1.075 459 F CA 0.784 58.730 58.000 -0.090 0.000 1.225 459 F CB 0.901 39.824 39.000 -0.128 0.000 1.099 459 F HN 0.810 nan 8.300 nan 0.000 0.561 460 T N 0.847 115.489 114.554 0.146 0.000 2.995 460 T HA -0.056 4.320 4.350 0.043 0.000 0.269 460 T C 0.871 175.765 174.700 0.322 0.000 1.091 460 T CA 0.344 62.514 62.100 0.117 0.000 1.128 460 T CB 0.014 68.958 68.868 0.127 0.000 0.891 460 T HN 0.248 nan 8.240 nan 0.000 0.492 461 L N 3.395 124.729 121.223 0.185 0.000 2.401 461 L HA 0.294 4.660 4.340 0.043 0.000 0.283 461 L C 1.245 178.043 176.870 -0.120 0.000 1.151 461 L CA 0.444 55.286 54.840 0.003 0.000 0.942 461 L CB -0.553 41.431 42.059 -0.124 0.000 1.283 461 L HN 0.315 nan 8.230 nan 0.000 0.442 462 T N 2.273 116.825 114.554 -0.005 0.000 2.720 462 T HA -0.201 4.175 4.350 0.043 0.000 0.268 462 T C 1.708 176.396 174.700 -0.020 0.000 1.037 462 T CA 1.925 64.046 62.100 0.036 0.000 1.144 462 T CB -0.235 68.699 68.868 0.109 0.000 0.864 462 T HN 0.693 nan 8.240 nan 0.000 0.444 463 H N 1.114 120.202 119.070 0.030 0.000 2.543 463 H HA 0.089 4.671 4.556 0.042 0.000 0.286 463 H C 1.864 177.179 175.328 -0.021 0.000 1.037 463 H CA 0.624 56.677 56.048 0.009 0.000 1.250 463 H CB -0.671 29.093 29.762 0.003 0.000 1.373 463 H HN 0.352 nan 8.280 nan 0.000 0.580 464 L N 0.899 121.938 121.223 -0.307 0.000 2.478 464 L HA -0.033 4.333 4.340 0.043 0.000 0.223 464 L C 0.670 177.482 176.870 -0.097 0.000 1.140 464 L CA 0.149 54.778 54.840 -0.353 0.000 0.842 464 L CB -0.331 41.184 42.059 -0.907 0.000 0.953 464 L HN 0.164 nan 8.230 nan 0.000 0.452 465 N N 2.699 121.447 118.700 0.080 0.000 3.193 465 N HA 0.034 4.800 4.740 0.043 0.000 0.312 465 N C -0.309 175.222 175.510 0.035 0.000 1.261 465 N CA 0.235 53.385 53.050 0.167 0.000 1.208 465 N CB 0.127 38.692 38.487 0.129 0.000 1.471 465 N HN 0.564 nan 8.380 nan 0.000 0.548 466 Q N -1.036 118.781 119.800 0.028 0.000 2.416 466 Q HA 0.835 5.201 4.340 0.043 0.000 0.281 466 Q C -1.733 174.240 176.000 -0.045 0.000 1.067 466 Q CA -1.246 54.497 55.803 -0.100 0.000 0.809 466 Q CB 2.186 30.909 28.738 -0.025 0.000 1.418 466 Q HN 0.056 nan 8.270 nan 0.000 0.411 467 A N 0.583 123.303 122.820 -0.166 0.000 2.587 467 A HA 0.953 5.299 4.320 0.043 0.000 0.293 467 A C -0.911 176.662 177.584 -0.019 0.000 1.087 467 A CA -0.226 51.801 52.037 -0.017 0.000 0.692 467 A CB 2.005 21.036 19.000 0.051 0.000 1.291 467 A HN 0.934 nan 8.150 nan 0.000 0.407 468 G N -0.840 108.045 108.800 0.141 0.000 2.574 468 G HA2 0.864 4.850 3.960 0.043 0.000 0.299 468 G HA3 0.864 4.850 3.960 0.043 0.000 0.299 468 G C -0.633 174.373 174.900 0.177 0.000 1.298 468 G CA 0.043 45.277 45.100 0.223 0.000 0.952 468 G HN 1.861 nan 8.290 nan 0.000 0.477 469 A N -0.248 122.670 122.820 0.163 0.000 2.527 469 A HA 0.859 5.205 4.320 0.043 0.000 0.293 469 A C -1.853 175.792 177.584 0.103 0.000 1.117 469 A CA -0.658 51.462 52.037 0.138 0.000 0.723 469 A CB 2.160 21.226 19.000 0.110 0.000 1.313 469 A HN 1.466 nan 8.150 nan 0.000 0.411 470 L N 1.035 122.306 121.223 0.080 0.000 2.476 470 L HA 0.705 5.071 4.340 0.043 0.000 0.269 470 L C -1.520 175.364 176.870 0.025 0.000 0.965 470 L CA -0.265 54.602 54.840 0.045 0.000 0.845 470 L CB 2.059 44.140 42.059 0.036 0.000 1.259 470 L HN 0.514 nan 8.230 nan 0.000 0.403 471 V N 4.300 124.215 119.914 0.002 0.000 2.540 471 V HA 0.626 4.772 4.120 0.043 0.000 0.302 471 V C -0.793 175.257 176.094 -0.074 0.000 1.035 471 V CA -0.665 61.621 62.300 -0.023 0.000 0.873 471 V CB 1.789 33.603 31.823 -0.014 0.000 0.992 471 V HN 0.690 nan 8.190 nan 0.000 0.428 472 Q N 4.576 124.300 119.800 -0.128 0.000 2.333 472 Q HA 0.625 4.991 4.340 0.043 0.000 0.267 472 Q C -1.052 174.744 176.000 -0.340 0.000 1.012 472 Q CA -0.395 55.230 55.803 -0.296 0.000 0.824 472 Q CB 2.999 31.459 28.738 -0.463 0.000 1.290 472 Q HN 0.682 nan 8.270 nan 0.000 0.449 473 I N 3.039 123.419 120.570 -0.316 0.000 2.355 473 I HA 0.313 4.509 4.170 0.043 0.000 0.288 473 I C -0.559 175.393 176.117 -0.275 0.000 0.999 473 I CA -0.840 60.348 61.300 -0.188 0.000 1.163 473 I CB 0.559 38.551 38.000 -0.013 0.000 1.316 473 I HN 0.473 nan 8.210 nan 0.000 0.454 474 Y N 2.973 123.281 120.300 0.012 0.000 2.316 474 Y HA 0.084 4.659 4.550 0.041 0.000 0.324 474 Y C 2.069 177.934 175.900 -0.057 0.000 1.267 474 Y CA -0.388 57.691 58.100 -0.035 0.000 1.311 474 Y CB 0.999 39.438 38.460 -0.035 0.000 1.267 474 Y HN 0.645 nan 8.280 nan 0.000 0.516 475 T N -3.230 111.346 114.554 0.037 0.000 2.977 475 T HA -0.200 4.176 4.350 0.043 0.000 0.271 475 T C 0.968 175.658 174.700 -0.018 0.000 1.105 475 T CA 1.406 63.452 62.100 -0.090 0.000 1.116 475 T CB -0.296 68.389 68.868 -0.305 0.000 0.878 475 T HN 0.786 nan 8.240 nan 0.000 0.509 476 D N 0.895 121.317 120.400 0.035 0.000 2.340 476 D HA 0.181 4.847 4.640 0.043 0.000 0.220 476 D C 1.678 178.039 176.300 0.101 0.000 1.039 476 D CA 0.639 54.667 54.000 0.047 0.000 0.866 476 D CB -0.639 40.175 40.800 0.024 0.000 0.913 476 D HN 0.597 nan 8.370 nan 0.000 0.523 477 G N 0.492 109.376 108.800 0.141 0.000 2.217 477 G HA2 -0.305 3.681 3.960 0.043 0.000 0.246 477 G HA3 -0.305 3.681 3.960 0.043 0.000 0.246 477 G C 0.440 175.506 174.900 0.276 0.000 0.990 477 G CA 0.473 45.723 45.100 0.251 0.000 0.627 477 G HN 0.820 nan 8.290 nan 0.000 0.522 478 S N -0.660 115.162 115.700 0.204 0.000 2.593 478 S HA 0.680 5.176 4.470 0.043 0.000 0.269 478 S C -0.004 174.727 174.600 0.219 0.000 1.334 478 S CA -0.010 58.297 58.200 0.178 0.000 1.015 478 S CB 2.444 65.726 63.200 0.136 0.000 0.912 478 S HN 1.104 nan 8.310 nan 0.000 0.541 479 V N 1.443 121.445 119.914 0.146 0.000 2.487 479 V HA 0.709 4.855 4.120 0.043 0.000 0.298 479 V C 0.124 176.278 176.094 0.100 0.000 1.028 479 V CA -0.666 61.690 62.300 0.094 0.000 0.860 479 V CB 1.379 33.219 31.823 0.028 0.000 0.991 479 V HN 1.194 nan 8.190 nan 0.000 0.427 480 A N 5.343 128.221 122.820 0.097 0.000 2.249 480 A HA 0.786 5.131 4.320 0.043 0.000 0.314 480 A C -0.908 176.688 177.584 0.020 0.000 1.290 480 A CA -0.331 51.763 52.037 0.094 0.000 0.893 480 A CB 0.598 19.719 19.000 0.202 0.000 1.165 480 A HN 0.831 nan 8.150 nan 0.000 0.530 481 L N 3.478 124.707 121.223 0.009 0.000 2.305 481 L HA 0.542 4.908 4.340 0.043 0.000 0.284 481 L C -0.555 176.328 176.870 0.021 0.000 1.013 481 L CA -0.189 54.660 54.840 0.016 0.000 0.819 481 L CB 1.187 43.255 42.059 0.015 0.000 1.227 481 L HN 0.734 nan 8.230 nan 0.000 0.417 482 N N 2.971 121.701 118.700 0.049 0.000 2.249 482 N HA 0.489 5.254 4.740 0.043 0.000 0.296 482 N C -1.496 174.085 175.510 0.119 0.000 1.051 482 N CA -0.322 52.745 53.050 0.028 0.000 0.815 482 N CB 1.633 40.120 38.487 -0.000 0.000 1.487 482 N HN 0.970 nan 8.380 nan 0.000 0.475 483 H N -0.900 118.195 119.070 0.042 0.000 2.942 483 H HA 0.483 5.068 4.556 0.048 0.000 0.316 483 H C 0.755 176.127 175.328 0.074 0.000 1.323 483 H CA -0.749 55.335 56.048 0.061 0.000 1.144 483 H CB 0.645 30.445 29.762 0.062 0.000 1.866 483 H HN 0.396 nan 8.280 nan 0.000 0.545 484 G N -0.526 108.377 108.800 0.172 0.000 2.511 484 G HA2 0.167 4.153 3.960 0.043 0.000 0.217 484 G HA3 0.167 4.153 3.960 0.043 0.000 0.217 484 G C 0.744 175.697 174.900 0.087 0.000 1.133 484 G CA 0.131 45.289 45.100 0.098 0.000 0.792 484 G HN 0.856 nan 8.290 nan 0.000 0.539 485 G N 0.159 109.119 108.800 0.267 0.000 2.527 485 G HA2 0.429 4.415 3.960 0.043 0.000 0.248 485 G HA3 0.429 4.415 3.960 0.043 0.000 0.248 485 G C 0.047 174.962 174.900 0.024 0.000 1.231 485 G CA 0.480 45.701 45.100 0.202 0.000 0.838 485 G HN 0.418 nan 8.290 nan 0.000 0.570 486 T N -1.133 113.405 114.554 -0.026 0.000 2.829 486 T HA 0.489 4.865 4.350 0.043 0.000 0.280 486 T C -0.369 174.223 174.700 -0.179 0.000 0.999 486 T CA -0.839 61.201 62.100 -0.100 0.000 0.983 486 T CB 2.219 71.052 68.868 -0.057 0.000 0.968 486 T HN 0.395 nan 8.240 nan 0.000 0.446 487 E N 3.438 123.458 120.200 -0.300 0.000 2.104 487 E HA 0.224 4.599 4.350 0.043 0.000 0.278 487 E C 0.781 177.329 176.600 -0.088 0.000 1.127 487 E CA -0.442 55.800 56.400 -0.263 0.000 0.897 487 E CB 0.273 29.773 29.700 -0.335 0.000 1.043 487 E HN 0.753 nan 8.360 nan 0.000 0.410 488 M N 2.212 121.756 119.600 -0.094 0.000 2.405 488 M HA 0.429 4.934 4.480 0.043 0.000 0.292 488 M C 0.819 177.045 176.300 -0.123 0.000 1.111 488 M CA 0.325 55.554 55.300 -0.119 0.000 0.979 488 M CB 0.548 33.025 32.600 -0.206 0.000 1.426 488 M HN 0.507 nan 8.290 nan 0.000 0.509 489 G N 1.833 110.620 108.800 -0.023 0.000 2.192 489 G HA2 -0.228 3.757 3.960 0.043 0.000 0.193 489 G HA3 -0.228 3.757 3.960 0.043 0.000 0.193 489 G C 0.651 175.565 174.900 0.024 0.000 0.999 489 G CA 0.302 45.390 45.100 -0.019 0.000 0.659 489 G HN 0.634 nan 8.290 nan 0.000 0.503 490 Q N 1.283 121.094 119.800 0.018 0.000 2.444 490 Q HA 0.337 4.703 4.340 0.043 0.000 0.206 490 Q C 1.540 177.585 176.000 0.075 0.000 0.948 490 Q CA 1.123 56.940 55.803 0.023 0.000 0.946 490 Q CB -0.247 28.475 28.738 -0.027 0.000 1.027 490 Q HN 1.844 nan 8.270 nan 0.000 0.513 491 G N 1.863 110.768 108.800 0.176 0.000 2.160 491 G HA2 -0.314 3.671 3.960 0.043 0.000 0.251 491 G HA3 -0.314 3.671 3.960 0.043 0.000 0.251 491 G C 0.415 175.323 174.900 0.013 0.000 1.008 491 G CA 0.438 45.631 45.100 0.155 0.000 0.724 491 G HN 0.422 nan 8.290 nan 0.000 0.514 492 L N 0.036 121.248 121.223 -0.019 0.000 2.046 492 L HA 0.031 4.396 4.340 0.043 0.000 0.208 492 L C 2.484 179.365 176.870 0.019 0.000 1.077 492 L CA 2.890 57.707 54.840 -0.037 0.000 0.747 492 L CB -0.544 41.477 42.059 -0.062 0.000 0.896 492 L HN 0.393 nan 8.230 nan 0.000 0.432 493 H N -0.205 118.866 119.070 0.001 0.000 2.321 493 H HA 0.000 4.581 4.556 0.042 0.000 0.300 493 H C 2.195 177.478 175.328 -0.075 0.000 1.087 493 H CA 1.383 57.435 56.048 0.006 0.000 1.319 493 H CB -0.673 29.064 29.762 -0.041 0.000 1.379 493 H HN 0.489 nan 8.280 nan 0.000 0.501 494 A N 1.291 124.099 122.820 -0.019 0.000 1.902 494 A HA -0.188 4.157 4.320 0.043 0.000 0.217 494 A C 2.369 179.923 177.584 -0.051 0.000 1.181 494 A CA 1.673 53.670 52.037 -0.066 0.000 0.623 494 A CB -0.334 18.605 19.000 -0.103 0.000 0.818 494 A HN 0.346 nan 8.150 nan 0.000 0.443 495 K N -1.065 119.308 120.400 -0.044 0.000 2.032 495 K HA -0.165 4.181 4.320 0.043 0.000 0.209 495 K C 2.124 178.680 176.600 -0.073 0.000 1.048 495 K CA 1.695 57.947 56.287 -0.058 0.000 0.927 495 K CB -0.307 32.163 32.500 -0.050 0.000 0.712 495 K HN 0.370 nan 8.250 nan 0.000 0.441 496 M N 0.481 120.036 119.600 -0.075 0.000 2.117 496 M HA -0.135 4.371 4.480 0.043 0.000 0.262 496 M C 2.353 178.614 176.300 -0.065 0.000 1.065 496 M CA 1.322 56.557 55.300 -0.110 0.000 1.114 496 M CB -0.903 31.573 32.600 -0.207 0.000 1.361 496 M HN -0.050 nan 8.290 nan 0.000 0.408 497 V N 0.478 120.365 119.914 -0.045 0.000 2.332 497 V HA -0.299 3.847 4.120 0.043 0.000 0.248 497 V C 2.442 178.493 176.094 -0.072 0.000 1.055 497 V CA 1.744 64.012 62.300 -0.053 0.000 1.038 497 V CB -0.800 30.990 31.823 -0.056 0.000 0.651 497 V HN 0.528 nan 8.190 nan 0.000 0.450 498 Q N -0.738 119.011 119.800 -0.085 0.000 2.084 498 Q HA -0.169 4.196 4.340 0.043 0.000 0.202 498 Q C 2.339 178.257 176.000 -0.138 0.000 0.978 498 Q CA 1.890 57.623 55.803 -0.117 0.000 0.844 498 Q CB -0.331 28.329 28.738 -0.130 0.000 0.898 498 Q HN 0.552 nan 8.270 nan 0.000 0.426 499 V N 1.025 120.874 119.914 -0.108 0.000 2.255 499 V HA -0.321 3.825 4.120 0.043 0.000 0.247 499 V C 2.289 178.377 176.094 -0.009 0.000 1.051 499 V CA 1.955 64.230 62.300 -0.041 0.000 1.018 499 V CB -1.095 30.744 31.823 0.027 0.000 0.641 499 V HN 0.437 nan 8.190 nan 0.000 0.445 500 A N -0.096 122.704 122.820 -0.033 0.000 1.908 500 A HA -0.141 4.204 4.320 0.043 0.000 0.218 500 A C 2.376 179.924 177.584 -0.062 0.000 1.181 500 A CA 2.263 54.279 52.037 -0.036 0.000 0.627 500 A CB -0.783 18.194 19.000 -0.039 0.000 0.818 500 A HN 0.606 nan 8.150 nan 0.000 0.445 501 A N -0.540 122.231 122.820 -0.082 0.000 1.968 501 A HA 0.289 4.635 4.320 0.043 0.000 0.217 501 A C 2.424 179.952 177.584 -0.093 0.000 1.169 501 A CA 1.718 53.691 52.037 -0.107 0.000 0.638 501 A CB -0.770 18.167 19.000 -0.105 0.000 0.812 501 A HN 0.941 nan 8.150 nan 0.000 0.446 502 A N -0.404 122.366 122.820 -0.083 0.000 1.872 502 A HA 0.041 4.387 4.320 0.043 0.000 0.214 502 A C 2.179 179.780 177.584 0.028 0.000 1.187 502 A CA 1.678 53.676 52.037 -0.064 0.000 0.614 502 A CB -0.902 17.985 19.000 -0.187 0.000 0.826 502 A HN 0.370 nan 8.150 nan 0.000 0.442 503 V N 0.113 120.063 119.914 0.060 0.000 2.343 503 V HA -0.217 3.928 4.120 0.043 0.000 0.247 503 V C 2.460 178.541 176.094 -0.021 0.000 1.051 503 V CA 1.825 64.160 62.300 0.058 0.000 1.036 503 V CB -0.743 31.110 31.823 0.050 0.000 0.654 503 V HN 0.532 nan 8.190 nan 0.000 0.451 504 L N 0.155 121.337 121.223 -0.067 0.000 2.313 504 L HA 0.217 4.582 4.340 0.043 0.000 0.214 504 L C 1.702 178.535 176.870 -0.063 0.000 1.119 504 L CA 0.995 55.758 54.840 -0.128 0.000 0.809 504 L CB -0.512 41.434 42.059 -0.189 0.000 0.933 504 L HN 0.585 nan 8.230 nan 0.000 0.449 505 G N 1.409 110.191 108.800 -0.029 0.000 2.171 505 G HA2 -0.247 3.739 3.960 0.043 0.000 0.238 505 G HA3 -0.247 3.739 3.960 0.043 0.000 0.238 505 G C 0.033 174.900 174.900 -0.054 0.000 1.039 505 G CA 0.403 45.529 45.100 0.043 0.000 0.759 505 G HN 0.439 nan 8.290 nan 0.000 0.501 506 I N -3.728 116.733 120.570 -0.181 0.000 3.002 506 I HA 0.772 4.968 4.170 0.043 0.000 0.310 506 I C -0.331 175.698 176.117 -0.146 0.000 1.087 506 I CA -1.604 59.552 61.300 -0.239 0.000 1.017 506 I CB 1.790 39.486 38.000 -0.506 0.000 1.226 506 I HN -0.061 nan 8.210 nan 0.000 0.443 507 D N 3.523 123.856 120.400 -0.112 0.000 2.390 507 D HA 0.208 4.874 4.640 0.043 0.000 0.249 507 D C -1.697 174.553 176.300 -0.084 0.000 1.144 507 D CA -1.886 52.068 54.000 -0.077 0.000 0.880 507 D CB 1.614 42.385 40.800 -0.048 0.000 1.182 507 D HN 0.303 nan 8.370 nan 0.000 0.451 508 P HA -0.200 nan 4.420 nan 0.000 0.218 508 P C 1.464 178.729 177.300 -0.059 0.000 1.150 508 P CA 0.746 63.803 63.100 -0.072 0.000 0.841 508 P CB 0.249 31.910 31.700 -0.066 0.000 0.784 509 V N -0.404 119.480 119.914 -0.049 0.000 2.594 509 V HA -0.228 3.918 4.120 0.043 0.000 0.253 509 V C 2.327 178.402 176.094 -0.031 0.000 1.069 509 V CA 1.595 63.873 62.300 -0.037 0.000 1.082 509 V CB -1.081 30.726 31.823 -0.027 0.000 0.680 509 V HN 0.207 nan 8.190 nan 0.000 0.469 510 Q N -0.341 119.436 119.800 -0.039 0.000 2.435 510 Q HA 0.072 4.438 4.340 0.043 0.000 0.207 510 Q C 0.527 176.516 176.000 -0.019 0.000 0.956 510 Q CA 0.492 56.279 55.803 -0.026 0.000 0.917 510 Q CB 0.216 28.920 28.738 -0.058 0.000 0.997 510 Q HN 0.516 nan 8.270 nan 0.000 0.497 511 V N 1.890 121.782 119.914 -0.037 0.000 2.347 511 V HA 0.304 4.450 4.120 0.043 0.000 0.280 511 V C -0.095 175.980 176.094 -0.032 0.000 1.021 511 V CA -0.763 61.519 62.300 -0.031 0.000 0.847 511 V CB 1.528 33.321 31.823 -0.050 0.000 0.990 511 V HN 0.026 nan 8.190 nan 0.000 0.444 512 R N 4.426 124.916 120.500 -0.017 0.000 2.338 512 R HA 0.595 4.960 4.340 0.043 0.000 0.317 512 R C -0.940 175.325 176.300 -0.058 0.000 0.968 512 R CA -0.502 55.577 56.100 -0.035 0.000 0.849 512 R CB 1.310 31.602 30.300 -0.013 0.000 1.128 512 R HN 0.658 nan 8.270 nan 0.000 0.448 513 I N 4.212 124.712 120.570 -0.117 0.000 2.371 513 I HA 0.255 4.451 4.170 0.043 0.000 0.290 513 I C -0.227 175.770 176.117 -0.200 0.000 1.028 513 I CA 0.457 61.633 61.300 -0.207 0.000 1.345 513 I CB 1.234 38.985 38.000 -0.415 0.000 1.407 513 I HN 0.891 nan 8.210 nan 0.000 0.501 514 T N 4.578 119.034 114.554 -0.164 0.000 2.927 514 T HA 0.807 5.183 4.350 0.043 0.000 0.281 514 T C 0.236 174.849 174.700 -0.145 0.000 0.998 514 T CA -0.658 61.373 62.100 -0.114 0.000 1.019 514 T CB 1.243 70.081 68.868 -0.051 0.000 1.061 514 T HN 0.819 nan 8.240 nan 0.000 0.518 515 A N 1.754 124.527 122.820 -0.079 0.000 2.425 515 A HA 0.492 4.838 4.320 0.043 0.000 0.242 515 A C 0.828 178.381 177.584 -0.050 0.000 1.077 515 A CA -0.594 51.418 52.037 -0.043 0.000 0.781 515 A CB -0.599 18.398 19.000 -0.006 0.000 1.020 515 A HN 0.916 nan 8.150 nan 0.000 0.494 516 T N 2.048 116.582 114.554 -0.033 0.000 2.853 516 T HA 0.349 4.725 4.350 0.043 0.000 0.298 516 T C -0.420 174.257 174.700 -0.040 0.000 0.978 516 T CA 0.335 62.403 62.100 -0.054 0.000 1.152 516 T CB 0.216 69.057 68.868 -0.046 0.000 0.914 516 T HN 0.607 nan 8.240 nan 0.000 0.539 517 D N 1.745 122.123 120.400 -0.036 0.000 2.763 517 D HA 0.167 4.832 4.640 0.043 0.000 0.235 517 D C 1.239 177.529 176.300 -0.017 0.000 1.334 517 D CA -0.506 53.474 54.000 -0.034 0.000 0.950 517 D CB 1.659 42.441 40.800 -0.031 0.000 1.433 517 D HN 0.508 nan 8.370 nan 0.000 0.580 518 T N -0.224 114.317 114.554 -0.021 0.000 2.929 518 T HA -0.141 4.235 4.350 0.043 0.000 0.271 518 T C 1.545 176.249 174.700 0.007 0.000 1.085 518 T CA 1.463 63.561 62.100 -0.003 0.000 1.125 518 T CB -0.098 68.757 68.868 -0.022 0.000 0.874 518 T HN 0.248 nan 8.240 nan 0.000 0.494 519 S N 0.139 115.836 115.700 -0.004 0.000 2.558 519 S HA 0.243 4.739 4.470 0.043 0.000 0.217 519 S C 1.709 176.315 174.600 0.011 0.000 0.975 519 S CA -0.293 57.910 58.200 0.006 0.000 0.912 519 S CB -0.084 63.112 63.200 -0.006 0.000 0.776 519 S HN 0.574 nan 8.310 nan 0.000 0.526 520 K N 0.290 120.696 120.400 0.010 0.000 2.225 520 K HA 0.319 4.665 4.320 0.043 0.000 0.204 520 K C -0.434 176.184 176.600 0.031 0.000 1.047 520 K CA 0.464 56.761 56.287 0.016 0.000 0.970 520 K CB 0.481 32.985 32.500 0.007 0.000 0.939 520 K HN 0.157 nan 8.250 nan 0.000 0.472 521 V N 4.557 124.493 119.914 0.037 0.000 2.376 521 V HA 0.272 4.418 4.120 0.043 0.000 0.287 521 V C -2.470 173.665 176.094 0.069 0.000 1.015 521 V CA -1.841 60.498 62.300 0.064 0.000 0.834 521 V CB 1.415 33.287 31.823 0.082 0.000 1.001 521 V HN 0.136 nan 8.190 nan 0.000 0.428 522 P HA 0.383 nan 4.420 nan 0.000 0.281 522 P C -0.231 177.133 177.300 0.108 0.000 1.281 522 P CA -0.491 62.657 63.100 0.081 0.000 0.811 522 P CB 0.609 32.352 31.700 0.072 0.000 1.154 523 N N -2.188 116.580 118.700 0.112 0.000 2.721 523 N HA -0.124 4.642 4.740 0.043 0.000 0.249 523 N C 0.075 175.671 175.510 0.144 0.000 1.072 523 N CA 1.267 54.396 53.050 0.132 0.000 0.710 523 N CB -2.323 36.239 38.487 0.126 0.000 0.993 523 N HN 0.686 nan 8.380 nan 0.000 0.547 524 T N -3.245 111.389 114.554 0.133 0.000 2.899 524 T HA 0.492 4.868 4.350 0.043 0.000 0.295 524 T C 0.899 175.641 174.700 0.069 0.000 1.033 524 T CA -0.481 61.682 62.100 0.105 0.000 1.084 524 T CB 1.758 70.677 68.868 0.085 0.000 0.979 524 T HN 0.092 nan 8.240 nan 0.000 0.532 525 S N 0.699 116.354 115.700 -0.075 0.000 2.640 525 S HA 0.617 5.113 4.470 0.043 0.000 0.262 525 S C 0.816 174.954 174.600 -0.770 0.000 1.232 525 S CA -0.527 57.460 58.200 -0.355 0.000 0.988 525 S CB 0.190 63.154 63.200 -0.394 0.000 1.034 525 S HN 1.143 nan 8.310 nan 0.000 0.569 526 A N 0.723 122.869 122.820 -1.124 0.000 2.346 526 A HA 0.423 4.769 4.320 0.043 0.000 0.252 526 A C 0.245 177.737 177.584 -0.152 0.000 1.089 526 A CA -0.320 51.263 52.037 -0.757 0.000 0.797 526 A CB -0.212 18.561 19.000 -0.378 0.000 1.047 526 A HN 0.645 nan 8.150 nan 0.000 0.494 527 T N 1.656 116.169 114.554 -0.068 0.000 3.176 527 T HA 0.543 4.919 4.350 0.043 0.000 0.301 527 T C 0.130 174.835 174.700 0.009 0.000 1.115 527 T CA 0.723 62.825 62.100 0.002 0.000 1.027 527 T CB -0.611 68.244 68.868 -0.022 0.000 1.063 527 T HN 1.134 nan 8.240 nan 0.000 0.669 528 A N 1.449 124.303 122.820 0.057 0.000 2.529 528 A HA 0.887 5.233 4.320 0.043 0.000 0.296 528 A C 0.588 177.921 177.584 -0.419 0.000 1.205 528 A CA -0.363 51.638 52.037 -0.061 0.000 0.671 528 A CB 0.233 19.265 19.000 0.053 0.000 1.301 528 A HN 1.382 nan 8.150 nan 0.000 0.450 529 A N -0.826 121.702 122.820 -0.486 0.000 2.816 529 A HA 0.030 4.375 4.320 0.043 0.000 0.270 529 A C 1.147 178.502 177.584 -0.382 0.000 1.413 529 A CA 1.840 53.525 52.037 -0.587 0.000 0.866 529 A CB -2.554 15.721 19.000 -1.207 0.000 1.032 529 A HN 2.495 nan 8.150 nan 0.000 0.642 530 S N -3.016 112.535 115.700 -0.249 0.000 3.358 530 S HA -0.316 4.180 4.470 0.043 0.000 0.309 530 S C 1.083 175.593 174.600 -0.149 0.000 1.247 530 S CA 1.946 60.051 58.200 -0.159 0.000 0.961 530 S CB -2.444 60.684 63.200 -0.121 0.000 1.074 530 S HN 2.466 nan 8.310 nan 0.000 0.625 531 S N 0.146 115.709 115.700 -0.227 0.000 2.593 531 S HA 0.339 4.834 4.470 0.043 0.000 0.217 531 S C 1.951 176.521 174.600 -0.051 0.000 0.966 531 S CA 0.480 58.592 58.200 -0.147 0.000 0.914 531 S CB -0.172 62.888 63.200 -0.234 0.000 0.776 531 S HN 0.793 nan 8.310 nan 0.000 0.523 532 G N 2.460 111.230 108.800 -0.049 0.000 2.545 532 G HA2 -0.122 3.864 3.960 0.043 0.000 0.217 532 G HA3 -0.122 3.864 3.960 0.043 0.000 0.217 532 G C 1.663 176.544 174.900 -0.031 0.000 1.218 532 G CA 0.983 46.075 45.100 -0.014 0.000 0.787 532 G HN 0.743 nan 8.290 nan 0.000 0.571 533 A N 0.707 123.502 122.820 -0.043 0.000 1.902 533 A HA -0.030 4.316 4.320 0.043 0.000 0.217 533 A C 2.092 179.638 177.584 -0.064 0.000 1.181 533 A CA 2.244 54.246 52.037 -0.057 0.000 0.623 533 A CB -0.580 18.400 19.000 -0.034 0.000 0.818 533 A HN 0.339 nan 8.150 nan 0.000 0.443 534 D N -0.499 119.879 120.400 -0.038 0.000 2.103 534 D HA -0.170 4.496 4.640 0.043 0.000 0.190 534 D C 2.155 178.370 176.300 -0.142 0.000 0.997 534 D CA 1.987 55.961 54.000 -0.043 0.000 0.833 534 D CB -0.189 40.634 40.800 0.038 0.000 0.961 534 D HN 0.480 nan 8.370 nan 0.000 0.447 535 M N -0.427 119.131 119.600 -0.069 0.000 2.191 535 M HA -0.012 4.494 4.480 0.043 0.000 0.262 535 M C 1.856 178.094 176.300 -0.103 0.000 1.083 535 M CA 0.601 55.875 55.300 -0.044 0.000 1.154 535 M CB -0.208 32.490 32.600 0.164 0.000 1.344 535 M HN -0.035 nan 8.290 nan 0.000 0.431 536 N N 0.915 119.580 118.700 -0.058 0.000 2.149 536 N HA -0.111 4.655 4.740 0.043 0.000 0.188 536 N C 1.823 177.243 175.510 -0.151 0.000 1.019 536 N CA 1.703 54.707 53.050 -0.077 0.000 0.857 536 N CB -0.482 37.956 38.487 -0.082 0.000 0.997 536 N HN 0.444 nan 8.380 nan 0.000 0.426 537 G N 1.838 110.536 108.800 -0.170 0.000 2.476 537 G HA2 -0.245 3.740 3.960 0.043 0.000 0.218 537 G HA3 -0.245 3.740 3.960 0.043 0.000 0.218 537 G C 1.568 176.371 174.900 -0.161 0.000 1.164 537 G CA 0.734 45.746 45.100 -0.147 0.000 0.768 537 G HN 0.174 nan 8.290 nan 0.000 0.560 538 M N 1.006 120.431 119.600 -0.291 0.000 2.132 538 M HA 0.048 4.554 4.480 0.043 0.000 0.263 538 M C 3.060 179.269 176.300 -0.153 0.000 1.065 538 M CA 1.321 56.410 55.300 -0.352 0.000 1.122 538 M CB -1.247 30.801 32.600 -0.919 0.000 1.365 538 M HN 0.331 nan 8.290 nan 0.000 0.411 539 A N 0.082 122.846 122.820 -0.093 0.000 1.902 539 A HA -0.088 4.258 4.320 0.043 0.000 0.217 539 A C 2.446 180.038 177.584 0.015 0.000 1.181 539 A CA 1.787 53.831 52.037 0.011 0.000 0.623 539 A CB -0.986 18.037 19.000 0.038 0.000 0.818 539 A HN 0.296 nan 8.150 nan 0.000 0.443 540 V N 0.388 120.289 119.914 -0.022 0.000 2.295 540 V HA -0.297 3.848 4.120 0.043 0.000 0.246 540 V C 2.547 178.635 176.094 -0.010 0.000 1.049 540 V CA 2.426 64.717 62.300 -0.014 0.000 1.024 540 V CB -0.718 31.075 31.823 -0.049 0.000 0.648 540 V HN 0.717 nan 8.190 nan 0.000 0.447 541 K N 0.168 120.554 120.400 -0.024 0.000 2.044 541 K HA -0.315 4.030 4.320 0.043 0.000 0.210 541 K C 1.983 178.573 176.600 -0.018 0.000 1.049 541 K CA 2.401 58.674 56.287 -0.023 0.000 0.927 541 K CB -0.407 32.051 32.500 -0.069 0.000 0.713 541 K HN 0.511 nan 8.250 nan 0.000 0.443 542 D N -0.116 120.281 120.400 -0.004 0.000 2.104 542 D HA -0.149 4.517 4.640 0.043 0.000 0.194 542 D C 1.699 178.014 176.300 0.025 0.000 0.994 542 D CA 1.743 55.758 54.000 0.025 0.000 0.830 542 D CB -0.146 40.695 40.800 0.069 0.000 0.959 542 D HN 0.357 nan 8.370 nan 0.000 0.452 543 A N -0.498 122.339 122.820 0.028 0.000 1.898 543 A HA -0.141 4.205 4.320 0.043 0.000 0.216 543 A C 2.637 180.221 177.584 -0.001 0.000 1.181 543 A CA 1.503 53.553 52.037 0.022 0.000 0.620 543 A CB -0.938 18.080 19.000 0.030 0.000 0.819 543 A HN 0.496 nan 8.150 nan 0.000 0.442 544 C N -0.682 118.613 119.300 -0.009 0.000 2.440 544 C HA -0.040 4.446 4.460 0.043 0.000 0.278 544 C C 2.571 177.533 174.990 -0.046 0.000 1.295 544 C CA 1.029 60.030 59.018 -0.027 0.000 1.738 544 C CB -1.224 26.500 27.740 -0.025 0.000 1.987 544 C HN 0.664 nan 8.230 nan 0.000 0.492 545 E N 0.361 120.540 120.200 -0.035 0.000 2.204 545 E HA -0.139 4.237 4.350 0.043 0.000 0.194 545 E C 2.019 178.598 176.600 -0.034 0.000 0.989 545 E CA 1.432 57.808 56.400 -0.041 0.000 0.824 545 E CB -0.130 29.554 29.700 -0.026 0.000 0.756 545 E HN 0.646 nan 8.360 nan 0.000 0.477 546 T N 1.139 115.681 114.554 -0.020 0.000 2.857 546 T HA -0.061 4.314 4.350 0.043 0.000 0.266 546 T C 1.922 176.605 174.700 -0.028 0.000 1.048 546 T CA 0.613 62.705 62.100 -0.014 0.000 1.139 546 T CB -0.014 68.853 68.868 -0.001 0.000 0.874 546 T HN 0.079 nan 8.240 nan 0.000 0.455 547 L N 0.340 121.538 121.223 -0.040 0.000 2.023 547 L HA 0.056 4.422 4.340 0.043 0.000 0.205 547 L C 2.989 179.803 176.870 -0.094 0.000 1.073 547 L CA 1.026 55.835 54.840 -0.051 0.000 0.745 547 L CB -0.417 41.620 42.059 -0.036 0.000 0.900 547 L HN 0.065 nan 8.230 nan 0.000 0.435 548 R N 0.432 120.835 120.500 -0.162 0.000 2.105 548 R HA -0.158 4.208 4.340 0.043 0.000 0.239 548 R C 2.092 178.277 176.300 -0.191 0.000 1.135 548 R CA 1.565 57.452 56.100 -0.356 0.000 0.967 548 R CB -0.489 29.576 30.300 -0.391 0.000 0.861 548 R HN 0.442 nan 8.270 nan 0.000 0.442 549 G N 0.375 109.130 108.800 -0.075 0.000 2.422 549 G HA2 -0.241 3.744 3.960 0.043 0.000 0.218 549 G HA3 -0.241 3.744 3.960 0.043 0.000 0.218 549 G C 1.543 176.462 174.900 0.031 0.000 1.146 549 G CA 0.359 45.457 45.100 -0.003 0.000 0.769 549 G HN 0.322 nan 8.290 nan 0.000 0.547 550 R N -0.370 120.138 120.500 0.014 0.000 2.075 550 R HA 0.133 4.498 4.340 0.043 0.000 0.232 550 R C 2.601 178.961 176.300 0.100 0.000 1.126 550 R CA 0.799 56.921 56.100 0.036 0.000 0.963 550 R CB -0.365 29.933 30.300 -0.004 0.000 0.858 550 R HN 0.326 nan 8.270 nan 0.000 0.435 551 L N -0.115 121.175 121.223 0.111 0.000 2.109 551 L HA -0.059 4.307 4.340 0.043 0.000 0.207 551 L C 2.657 179.753 176.870 0.377 0.000 1.086 551 L CA 1.001 55.995 54.840 0.256 0.000 0.760 551 L CB -0.545 41.672 42.059 0.264 0.000 0.910 551 L HN 0.216 nan 8.230 nan 0.000 0.437 552 A N 0.576 123.625 122.820 0.381 0.000 1.877 552 A HA -0.132 4.214 4.320 0.043 0.000 0.216 552 A C 2.401 180.078 177.584 0.155 0.000 1.186 552 A CA 1.810 54.052 52.037 0.342 0.000 0.620 552 A CB -1.288 17.921 19.000 0.348 0.000 0.822 552 A HN 0.427 nan 8.150 nan 0.000 0.443 553 G N -1.472 107.409 108.800 0.135 0.000 2.422 553 G HA2 -0.150 3.836 3.960 0.043 0.000 0.218 553 G HA3 -0.150 3.836 3.960 0.043 0.000 0.218 553 G C 1.407 176.361 174.900 0.091 0.000 1.140 553 G CA 1.119 46.272 45.100 0.088 0.000 0.775 553 G HN 0.538 nan 8.290 nan 0.000 0.545 554 F N 1.424 121.366 119.950 -0.014 0.000 2.098 554 F HA -0.008 4.546 4.527 0.044 0.000 0.294 554 F C 2.542 178.290 175.800 -0.085 0.000 1.107 554 F CA 1.231 59.201 58.000 -0.050 0.000 1.234 554 F CB -0.468 38.495 39.000 -0.061 0.000 1.002 554 F HN -0.015 nan 8.300 nan 0.000 0.472 555 V N 1.192 120.857 119.914 -0.415 0.000 2.287 555 V HA -0.312 3.834 4.120 0.043 0.000 0.248 555 V C 2.873 178.758 176.094 -0.349 0.000 1.053 555 V CA 1.927 63.893 62.300 -0.557 0.000 1.027 555 V CB -1.745 29.852 31.823 -0.377 0.000 0.646 555 V HN 0.531 nan 8.190 nan 0.000 0.447 556 A N 0.051 122.769 122.820 -0.170 0.000 1.892 556 A HA -0.204 4.142 4.320 0.043 0.000 0.218 556 A C 2.409 179.927 177.584 -0.109 0.000 1.188 556 A CA 2.463 54.444 52.037 -0.094 0.000 0.631 556 A CB -0.856 18.128 19.000 -0.027 0.000 0.822 556 A HN 0.610 nan 8.150 nan 0.000 0.447 557 A N -1.062 121.682 122.820 -0.128 0.000 1.930 557 A HA -0.101 4.245 4.320 0.043 0.000 0.217 557 A C 2.285 179.779 177.584 -0.150 0.000 1.175 557 A CA 1.482 53.456 52.037 -0.105 0.000 0.627 557 A CB -0.443 18.519 19.000 -0.064 0.000 0.815 557 A HN 0.495 nan 8.150 nan 0.000 0.443 558 R N -0.341 119.990 120.500 -0.282 0.000 2.062 558 R HA -0.082 4.284 4.340 0.043 0.000 0.229 558 R C 1.275 177.476 176.300 -0.165 0.000 1.128 558 R CA 1.458 57.388 56.100 -0.283 0.000 0.960 558 R CB -0.112 29.868 30.300 -0.533 0.000 0.855 558 R HN 0.435 nan 8.270 nan 0.000 0.432 559 E N -0.502 119.606 120.200 -0.154 0.000 2.481 559 E HA 0.064 4.439 4.350 0.043 0.000 0.195 559 E C 0.367 176.948 176.600 -0.032 0.000 1.047 559 E CA 0.663 57.033 56.400 -0.050 0.000 0.867 559 E CB 0.226 29.927 29.700 0.003 0.000 0.858 559 E HN 0.529 nan 8.360 nan 0.000 0.513 560 G N 1.924 110.694 108.800 -0.051 0.000 2.587 560 G HA2 -0.212 3.774 3.960 0.043 0.000 0.245 560 G HA3 -0.212 3.774 3.960 0.043 0.000 0.245 560 G C 0.211 175.100 174.900 -0.018 0.000 0.959 560 G CA 0.109 45.191 45.100 -0.031 0.000 1.268 560 G HN 0.469 nan 8.290 nan 0.000 0.448 561 C N -1.074 118.214 119.300 -0.019 0.000 3.180 561 C HA 0.940 5.426 4.460 0.043 0.000 0.334 561 C C 0.569 175.557 174.990 -0.003 0.000 1.399 561 C CA -0.511 58.503 59.018 -0.007 0.000 1.185 561 C CB 0.954 28.693 27.740 -0.000 0.000 1.498 561 C HN 2.552 nan 8.230 nan 0.000 0.426 562 A N 0.535 123.359 122.820 0.006 0.000 2.363 562 A HA 0.692 5.038 4.320 0.043 0.000 0.270 562 A C 1.332 178.930 177.584 0.024 0.000 1.121 562 A CA 0.464 52.510 52.037 0.014 0.000 0.800 562 A CB 0.412 19.423 19.000 0.018 0.000 1.052 562 A HN 2.495 nan 8.150 nan 0.000 0.493 563 A N 2.538 125.378 122.820 0.032 0.000 1.978 563 A HA -0.180 4.166 4.320 0.043 0.000 0.220 563 A C 2.013 179.645 177.584 0.079 0.000 1.170 563 A CA 1.708 53.779 52.037 0.057 0.000 0.636 563 A CB -0.443 18.596 19.000 0.064 0.000 0.810 563 A HN 0.964 nan 8.150 nan 0.000 0.448 564 R N -0.898 119.640 120.500 0.062 0.000 2.339 564 R HA 0.007 4.373 4.340 0.043 0.000 0.199 564 R C 0.215 176.554 176.300 0.065 0.000 1.018 564 R CA 1.303 57.443 56.100 0.068 0.000 1.036 564 R CB -0.291 30.038 30.300 0.049 0.000 0.899 564 R HN 0.332 nan 8.270 nan 0.000 0.473 565 D N 0.856 121.288 120.400 0.054 0.000 2.367 565 D HA 0.058 4.724 4.640 0.043 0.000 0.207 565 D C -0.053 176.273 176.300 0.044 0.000 1.034 565 D CA 0.242 54.268 54.000 0.044 0.000 0.861 565 D CB 0.650 41.468 40.800 0.029 0.000 0.943 565 D HN 0.005 nan 8.370 nan 0.000 0.515 566 V N 2.676 122.621 119.914 0.052 0.000 2.470 566 V HA 0.107 4.253 4.120 0.043 0.000 0.276 566 V C 0.475 176.587 176.094 0.030 0.000 1.040 566 V CA 0.020 62.326 62.300 0.010 0.000 1.008 566 V CB 0.694 32.524 31.823 0.012 0.000 0.990 566 V HN -0.054 nan 8.190 nan 0.000 0.477 567 I N 5.854 126.392 120.570 -0.052 0.000 2.330 567 I HA 0.404 4.600 4.170 0.043 0.000 0.289 567 I C -0.612 175.464 176.117 -0.068 0.000 1.001 567 I CA -0.093 61.221 61.300 0.024 0.000 1.193 567 I CB 0.961 38.985 38.000 0.040 0.000 1.345 567 I HN 0.369 nan 8.210 nan 0.000 0.461 568 F N 4.595 124.616 119.950 0.118 0.000 2.371 568 F HA 0.471 5.024 4.527 0.043 0.000 0.363 568 F C 0.060 175.919 175.800 0.098 0.000 1.122 568 F CA -0.348 57.739 58.000 0.146 0.000 1.129 568 F CB 0.853 39.956 39.000 0.171 0.000 1.173 568 F HN 0.415 nan 8.300 nan 0.000 0.489 569 D N 1.380 121.908 120.400 0.212 0.000 2.803 569 D HA 0.519 5.185 4.640 0.043 0.000 0.218 569 D C -0.449 175.905 176.300 0.091 0.000 1.245 569 D CA -0.144 53.932 54.000 0.128 0.000 0.821 569 D CB 1.709 42.564 40.800 0.092 0.000 1.626 569 D HN 0.666 nan 8.370 nan 0.000 0.487 570 A N 2.323 125.175 122.820 0.052 0.000 2.704 570 A HA 0.171 4.517 4.320 0.043 0.000 0.299 570 A C 1.570 179.180 177.584 0.043 0.000 1.507 570 A CA 2.049 54.104 52.037 0.030 0.000 0.776 570 A CB -2.196 16.820 19.000 0.026 0.000 1.027 570 A HN 1.991 nan 8.150 nan 0.000 0.475 571 G N -2.698 106.129 108.800 0.044 0.000 2.168 571 G HA2 -0.242 3.743 3.960 0.043 0.000 0.263 571 G HA3 -0.242 3.743 3.960 0.043 0.000 0.263 571 G C -0.055 174.958 174.900 0.189 0.000 0.977 571 G CA 1.032 46.178 45.100 0.077 0.000 0.659 571 G HN 1.414 nan 8.290 nan 0.000 0.533 572 Q N -0.491 119.413 119.800 0.174 0.000 2.345 572 Q HA 0.675 5.041 4.340 0.043 0.000 0.268 572 Q C -0.326 175.771 176.000 0.161 0.000 1.054 572 Q CA -0.679 55.227 55.803 0.171 0.000 0.835 572 Q CB 2.722 31.519 28.738 0.099 0.000 1.339 572 Q HN 0.284 nan 8.270 nan 0.000 0.447 573 V N 1.942 121.939 119.914 0.138 0.000 2.495 573 V HA 0.419 4.565 4.120 0.043 0.000 0.298 573 V C -0.430 175.733 176.094 0.115 0.000 1.031 573 V CA -0.718 61.550 62.300 -0.052 0.000 0.871 573 V CB 1.807 33.489 31.823 -0.235 0.000 0.988 573 V HN 0.643 nan 8.190 nan 0.000 0.432 574 Q N 2.723 122.533 119.800 0.017 0.000 2.337 574 Q HA 0.838 5.204 4.340 0.043 0.000 0.270 574 Q C -0.802 175.262 176.000 0.106 0.000 1.043 574 Q CA -0.620 55.239 55.803 0.093 0.000 0.794 574 Q CB 2.708 31.460 28.738 0.023 0.000 1.281 574 Q HN 0.948 nan 8.270 nan 0.000 0.446 575 A N 0.951 123.910 122.820 0.231 0.000 2.540 575 A HA 0.570 4.916 4.320 0.043 0.000 0.297 575 A C -0.160 177.519 177.584 0.159 0.000 1.056 575 A CA -0.528 51.610 52.037 0.169 0.000 0.700 575 A CB 1.299 20.381 19.000 0.135 0.000 1.280 575 A HN 0.672 nan 8.150 nan 0.000 0.398 576 S N 0.561 116.304 115.700 0.071 0.000 3.635 576 S HA -0.078 4.418 4.470 0.043 0.000 0.328 576 S C 1.703 176.299 174.600 -0.005 0.000 1.135 576 S CA 1.922 60.146 58.200 0.039 0.000 0.942 576 S CB -1.533 61.705 63.200 0.063 0.000 0.930 576 S HN 2.892 nan 8.310 nan 0.000 0.512 577 G N -0.236 108.550 108.800 -0.023 0.000 2.220 577 G HA2 -0.357 3.628 3.960 0.043 0.000 0.269 577 G HA3 -0.357 3.628 3.960 0.043 0.000 0.269 577 G C -0.061 174.760 174.900 -0.133 0.000 0.977 577 G CA 1.031 46.094 45.100 -0.061 0.000 0.634 577 G HN 0.694 nan 8.290 nan 0.000 0.539 578 K N 0.643 120.923 120.400 -0.201 0.000 2.098 578 K HA 0.625 4.970 4.320 0.043 0.000 0.261 578 K C 0.079 176.316 176.600 -0.604 0.000 0.987 578 K CA 0.172 56.171 56.287 -0.479 0.000 0.916 578 K CB 1.518 33.611 32.500 -0.678 0.000 1.039 578 K HN 0.437 nan 8.250 nan 0.000 0.455 579 S N 0.910 116.181 115.700 -0.715 0.000 2.614 579 S HA 0.487 4.983 4.470 0.043 0.000 0.288 579 S C -1.030 173.291 174.600 -0.465 0.000 1.137 579 S CA -1.094 56.853 58.200 -0.422 0.000 0.992 579 S CB 0.689 63.790 63.200 -0.166 0.000 1.026 579 S HN 0.540 nan 8.310 nan 0.000 0.486 580 W N 1.493 122.774 121.300 -0.032 0.000 2.576 580 W HA 0.517 5.203 4.660 0.043 0.000 0.360 580 W C 0.623 177.153 176.519 0.019 0.000 1.109 580 W CA -1.149 56.191 57.345 -0.009 0.000 1.237 580 W CB 1.375 30.826 29.460 -0.015 0.000 1.369 580 W HN 0.497 nan 8.180 nan 0.000 0.609 581 R N 0.547 121.216 120.500 0.283 0.000 2.582 581 R HA 0.074 4.439 4.340 0.043 0.000 0.271 581 R C 1.184 177.647 176.300 0.272 0.000 1.078 581 R CA -0.493 55.748 56.100 0.235 0.000 1.127 581 R CB 0.508 30.916 30.300 0.179 0.000 1.038 581 R HN 0.433 nan 8.270 nan 0.000 0.500 582 F N 2.081 122.116 119.950 0.143 0.000 2.091 582 F HA -0.267 4.285 4.527 0.042 0.000 0.299 582 F C 2.067 177.947 175.800 0.134 0.000 1.103 582 F CA 2.222 60.316 58.000 0.157 0.000 1.228 582 F CB -0.229 38.865 39.000 0.157 0.000 0.984 582 F HN 0.669 nan 8.300 nan 0.000 0.477 583 A N -0.198 122.753 122.820 0.218 0.000 1.972 583 A HA -0.208 4.138 4.320 0.043 0.000 0.219 583 A C 2.077 179.677 177.584 0.026 0.000 1.169 583 A CA 1.852 53.951 52.037 0.103 0.000 0.635 583 A CB -0.819 18.267 19.000 0.145 0.000 0.810 583 A HN 0.600 nan 8.150 nan 0.000 0.446 584 E N -0.507 119.734 120.200 0.069 0.000 2.208 584 E HA -0.108 4.268 4.350 0.043 0.000 0.193 584 E C 1.655 178.248 176.600 -0.012 0.000 0.988 584 E CA 0.737 57.184 56.400 0.078 0.000 0.828 584 E CB -0.115 29.705 29.700 0.200 0.000 0.763 584 E HN 0.543 nan 8.360 nan 0.000 0.478 585 I N 0.545 121.058 120.570 -0.096 0.000 2.333 585 I HA -0.158 4.038 4.170 0.043 0.000 0.246 585 I C 2.383 178.419 176.117 -0.135 0.000 1.106 585 I CA 0.797 62.008 61.300 -0.149 0.000 1.411 585 I CB -0.894 36.985 38.000 -0.201 0.000 1.082 585 I HN -0.016 nan 8.210 nan 0.000 0.420 586 V N 1.626 121.397 119.914 -0.238 0.000 2.295 586 V HA -0.253 3.893 4.120 0.043 0.000 0.246 586 V C 2.879 178.910 176.094 -0.104 0.000 1.049 586 V CA 1.883 64.053 62.300 -0.217 0.000 1.024 586 V CB -1.230 30.447 31.823 -0.244 0.000 0.648 586 V HN 0.437 nan 8.190 nan 0.000 0.447 587 A N -0.029 122.762 122.820 -0.048 0.000 1.940 587 A HA -0.162 4.183 4.320 0.043 0.000 0.219 587 A C 2.407 180.019 177.584 0.047 0.000 1.176 587 A CA 2.291 54.344 52.037 0.026 0.000 0.631 587 A CB -0.770 18.248 19.000 0.029 0.000 0.814 587 A HN 0.594 nan 8.150 nan 0.000 0.446 588 A N -0.261 122.551 122.820 -0.013 0.000 1.873 588 A HA 0.205 4.551 4.320 0.043 0.000 0.215 588 A C 2.503 179.888 177.584 -0.331 0.000 1.186 588 A CA 1.967 54.000 52.037 -0.007 0.000 0.616 588 A CB -1.006 18.092 19.000 0.165 0.000 0.823 588 A HN 1.081 nan 8.150 nan 0.000 0.442 589 A N -1.498 120.935 122.820 -0.646 0.000 1.972 589 A HA -0.075 4.271 4.320 0.043 0.000 0.219 589 A C 2.090 179.380 177.584 -0.490 0.000 1.169 589 A CA 1.634 53.028 52.037 -1.072 0.000 0.635 589 A CB -0.765 17.772 19.000 -0.771 0.000 0.810 589 A HN 0.764 nan 8.150 nan 0.000 0.446 590 Y N 0.242 120.346 120.300 -0.328 0.000 2.114 590 Y HA -0.243 4.333 4.550 0.044 0.000 0.284 590 Y C 2.305 178.105 175.900 -0.167 0.000 1.143 590 Y CA 2.227 60.209 58.100 -0.197 0.000 1.135 590 Y CB -0.315 38.073 38.460 -0.121 0.000 0.980 590 Y HN 0.214 nan 8.280 nan 0.000 0.499 591 M N 0.269 119.722 119.600 -0.244 0.000 2.149 591 M HA -0.198 4.308 4.480 0.043 0.000 0.261 591 M C 2.379 178.519 176.300 -0.266 0.000 1.064 591 M CA 1.747 56.889 55.300 -0.265 0.000 1.102 591 M CB -1.737 30.831 32.600 -0.054 0.000 1.369 591 M HN 0.523 nan 8.290 nan 0.000 0.408 592 A N -0.483 122.174 122.820 -0.272 0.000 2.119 592 A HA -0.044 4.302 4.320 0.043 0.000 0.217 592 A C 0.883 178.329 177.584 -0.229 0.000 1.153 592 A CA 0.464 52.373 52.037 -0.214 0.000 0.692 592 A CB -0.254 18.579 19.000 -0.279 0.000 0.799 592 A HN 0.598 nan 8.150 nan 0.000 0.458 593 R N -1.934 118.381 120.500 -0.309 0.000 3.056 593 R HA -0.108 4.258 4.340 0.043 0.000 0.264 593 R C -1.480 174.708 176.300 -0.186 0.000 1.005 593 R CA 0.527 56.474 56.100 -0.255 0.000 0.665 593 R CB -2.203 27.979 30.300 -0.196 0.000 1.296 593 R HN 0.499 nan 8.270 nan 0.000 0.404 594 I N 0.008 120.455 120.570 -0.206 0.000 2.474 594 I HA 0.175 4.371 4.170 0.043 0.000 0.294 594 I C 0.807 176.861 176.117 -0.104 0.000 1.005 594 I CA -0.511 60.698 61.300 -0.152 0.000 1.113 594 I CB 1.981 39.859 38.000 -0.204 0.000 1.289 594 I HN 0.116 nan 8.210 nan 0.000 0.436 595 S N 5.886 121.544 115.700 -0.069 0.000 2.509 595 S HA 0.224 4.720 4.470 0.043 0.000 0.287 595 S C 0.398 174.965 174.600 -0.054 0.000 1.248 595 S CA -0.162 58.008 58.200 -0.049 0.000 1.089 595 S CB -0.058 63.119 63.200 -0.038 0.000 0.900 595 S HN 0.505 nan 8.310 nan 0.000 0.496 596 L N 4.699 125.890 121.223 -0.054 0.000 2.912 596 L HA 0.344 4.710 4.340 0.043 0.000 0.240 596 L C 0.508 177.320 176.870 -0.096 0.000 1.262 596 L CA -0.222 54.575 54.840 -0.072 0.000 1.058 596 L CB 0.231 42.245 42.059 -0.074 0.000 1.383 596 L HN 0.531 nan 8.230 nan 0.000 0.512 597 S N 0.513 116.169 115.700 -0.073 0.000 2.571 597 S HA 0.874 5.370 4.470 0.043 0.000 0.284 597 S C -0.956 173.619 174.600 -0.042 0.000 1.128 597 S CA -0.327 57.829 58.200 -0.073 0.000 0.970 597 S CB 1.690 64.849 63.200 -0.068 0.000 1.039 597 S HN 0.193 nan 8.310 nan 0.000 0.485 598 A N 2.757 125.558 122.820 -0.032 0.000 2.547 598 A HA 0.771 5.117 4.320 0.043 0.000 0.297 598 A C -0.097 177.491 177.584 0.007 0.000 1.056 598 A CA -0.626 51.405 52.037 -0.011 0.000 0.688 598 A CB 1.240 20.234 19.000 -0.010 0.000 1.282 598 A HN 1.004 nan 8.150 nan 0.000 0.400 599 T N -0.485 114.082 114.554 0.023 0.000 2.902 599 T HA 0.778 5.153 4.350 0.043 0.000 0.280 599 T C 0.361 175.105 174.700 0.073 0.000 0.992 599 T CA -0.045 62.085 62.100 0.050 0.000 1.015 599 T CB 1.686 70.587 68.868 0.054 0.000 1.044 599 T HN 1.784 nan 8.240 nan 0.000 0.520 600 G N -0.031 108.835 108.800 0.111 0.000 2.667 600 G HA2 0.626 4.612 3.960 0.043 0.000 0.298 600 G HA3 0.626 4.612 3.960 0.043 0.000 0.298 600 G C -2.105 172.942 174.900 0.244 0.000 1.377 600 G CA -0.842 44.342 45.100 0.141 0.000 0.964 600 G HN 0.754 nan 8.290 nan 0.000 0.493 601 F N 1.479 121.476 119.950 0.078 0.000 2.608 601 F HA 0.744 5.296 4.527 0.041 0.000 0.309 601 F C -1.897 174.000 175.800 0.162 0.000 1.103 601 F CA -1.213 56.847 58.000 0.100 0.000 0.954 601 F CB 2.218 41.255 39.000 0.062 0.000 1.267 601 F HN 0.590 nan 8.300 nan 0.000 0.444 602 Y N 3.906 123.722 120.300 -0.807 0.000 2.524 602 Y HA 0.825 5.400 4.550 0.042 0.000 0.347 602 Y C -1.743 173.711 175.900 -0.743 0.000 1.005 602 Y CA -0.833 56.931 58.100 -0.559 0.000 1.025 602 Y CB 2.034 40.335 38.460 -0.265 0.000 1.275 602 Y HN 0.890 nan 8.280 nan 0.000 0.460 603 A N 2.856 124.950 122.820 -1.210 0.000 2.427 603 A HA 0.568 4.914 4.320 0.043 0.000 0.298 603 A C -1.090 175.885 177.584 -1.015 0.000 1.036 603 A CA -0.761 50.775 52.037 -0.835 0.000 0.701 603 A CB 0.800 19.597 19.000 -0.339 0.000 1.250 603 A HN 0.694 nan 8.150 nan 0.000 0.412 604 T N 4.856 119.069 114.554 -0.568 0.000 2.799 604 T HA 0.440 4.816 4.350 0.043 0.000 0.296 604 T C -1.946 172.669 174.700 -0.141 0.000 0.947 604 T CA -0.396 61.551 62.100 -0.256 0.000 1.141 604 T CB 0.155 69.042 68.868 0.032 0.000 0.891 604 T HN 0.593 nan 8.240 nan 0.000 0.533 605 P HA 0.347 nan 4.420 nan 0.000 0.279 605 P C 0.115 177.417 177.300 0.003 0.000 1.276 605 P CA -0.627 62.450 63.100 -0.037 0.000 0.801 605 P CB 0.728 32.418 31.700 -0.016 0.000 1.127 606 K N -2.436 117.969 120.400 0.008 0.000 3.547 606 K HA -0.153 4.193 4.320 0.043 0.000 0.309 606 K C -0.011 176.597 176.600 0.013 0.000 1.324 606 K CA 0.751 57.048 56.287 0.016 0.000 0.988 606 K CB -1.860 30.656 32.500 0.026 0.000 1.261 606 K HN 0.379 nan 8.250 nan 0.000 0.444 607 L N 1.340 122.570 121.223 0.011 0.000 2.290 607 L HA 0.373 4.739 4.340 0.043 0.000 0.284 607 L C 0.191 177.089 176.870 0.046 0.000 1.078 607 L CA -0.303 54.544 54.840 0.012 0.000 0.815 607 L CB 1.615 43.678 42.059 0.008 0.000 1.162 607 L HN 0.067 nan 8.230 nan 0.000 0.435 608 S N 4.448 120.194 115.700 0.075 0.000 2.584 608 S HA 0.565 5.061 4.470 0.043 0.000 0.282 608 S C -1.846 172.874 174.600 0.200 0.000 1.138 608 S CA -0.727 57.539 58.200 0.110 0.000 0.987 608 S CB 0.770 64.005 63.200 0.057 0.000 1.137 608 S HN 0.656 nan 8.310 nan 0.000 0.457 609 W N 4.004 125.248 121.300 -0.093 0.000 3.248 609 W HA 0.542 5.227 4.660 0.042 0.000 0.311 609 W C -2.274 174.184 176.519 -0.102 0.000 1.258 609 W CA -0.687 56.588 57.345 -0.117 0.000 1.191 609 W CB 0.537 29.888 29.460 -0.181 0.000 1.389 609 W HN 0.564 nan 8.180 nan 0.000 0.561 610 D N 3.410 123.597 120.400 -0.354 0.000 2.373 610 D HA 0.204 4.870 4.640 0.043 0.000 0.227 610 D C 1.234 177.002 176.300 -0.887 0.000 1.091 610 D CA -0.199 53.477 54.000 -0.540 0.000 0.840 610 D CB 1.656 42.303 40.800 -0.255 0.000 1.060 610 D HN 0.552 nan 8.370 nan 0.000 0.502 611 R N 3.523 123.342 120.500 -1.135 0.000 2.091 611 R HA -0.112 4.254 4.340 0.043 0.000 0.238 611 R C 1.718 177.898 176.300 -0.200 0.000 1.136 611 R CA 1.051 56.564 56.100 -0.979 0.000 0.959 611 R CB 0.097 30.060 30.300 -0.562 0.000 0.856 611 R HN 0.511 nan 8.270 nan 0.000 0.437 612 L N 0.133 121.278 121.223 -0.131 0.000 2.023 612 L HA -0.112 4.254 4.340 0.043 0.000 0.205 612 L C 2.678 179.602 176.870 0.091 0.000 1.073 612 L CA 1.053 55.935 54.840 0.069 0.000 0.745 612 L CB -0.397 41.666 42.059 0.007 0.000 0.900 612 L HN 0.121 nan 8.230 nan 0.000 0.435 613 R N 0.461 120.913 120.500 -0.080 0.000 2.189 613 R HA -0.030 4.336 4.340 0.043 0.000 0.223 613 R C 1.167 177.290 176.300 -0.295 0.000 1.092 613 R CA 0.904 56.943 56.100 -0.102 0.000 0.989 613 R CB -0.702 29.537 30.300 -0.102 0.000 0.876 613 R HN 0.516 nan 8.270 nan 0.000 0.457 614 G N 1.709 110.133 108.800 -0.627 0.000 2.272 614 G HA2 -0.227 3.758 3.960 0.043 0.000 0.280 614 G HA3 -0.227 3.758 3.960 0.043 0.000 0.280 614 G C -0.268 174.339 174.900 -0.488 0.000 1.067 614 G CA 0.125 44.422 45.100 -1.338 0.000 0.902 614 G HN 0.218 nan 8.290 nan 0.000 0.500 615 Q N -0.939 118.763 119.800 -0.163 0.000 2.331 615 Q HA 0.728 5.094 4.340 0.043 0.000 0.272 615 Q C 0.432 176.514 176.000 0.137 0.000 1.062 615 Q CA 0.426 56.226 55.803 -0.004 0.000 0.806 615 Q CB 2.098 30.812 28.738 -0.040 0.000 1.312 615 Q HN 1.704 nan 8.270 nan 0.000 0.431 616 G N 1.449 110.335 108.800 0.145 0.000 2.293 616 G HA2 -0.074 3.912 3.960 0.043 0.000 0.282 616 G HA3 -0.074 3.912 3.960 0.043 0.000 0.282 616 G C -1.470 173.500 174.900 0.116 0.000 1.299 616 G CA -0.976 44.215 45.100 0.151 0.000 1.018 616 G HN 0.382 nan 8.290 nan 0.000 0.478 617 R N 1.550 122.092 120.500 0.070 0.000 2.332 617 R HA 0.442 4.807 4.340 0.043 0.000 0.306 617 R C -1.719 174.466 176.300 -0.192 0.000 1.117 617 R CA -1.714 54.364 56.100 -0.037 0.000 1.108 617 R CB 1.483 31.778 30.300 -0.009 0.000 1.126 617 R HN 0.305 nan 8.270 nan 0.000 0.548 618 P HA -0.002 nan 4.420 nan 0.000 0.226 618 P C -0.230 176.575 177.300 -0.825 0.000 1.161 618 P CA 0.719 63.175 63.100 -1.073 0.000 0.804 618 P CB 0.328 30.658 31.700 -2.283 0.000 0.829 619 F N -1.065 118.652 119.950 -0.388 0.000 2.470 619 F HA 0.304 4.856 4.527 0.042 0.000 0.329 619 F C 1.735 177.331 175.800 -0.340 0.000 1.072 619 F CA -1.207 56.526 58.000 -0.444 0.000 0.989 619 F CB 1.298 39.869 39.000 -0.715 0.000 1.193 619 F HN -0.315 nan 8.300 nan 0.000 0.481 620 L N 2.053 123.225 121.223 -0.086 0.000 2.127 620 L HA 0.107 4.472 4.340 0.043 0.000 0.203 620 L C -0.466 176.435 176.870 0.053 0.000 1.080 620 L CA 1.236 56.088 54.840 0.019 0.000 0.768 620 L CB -0.078 42.078 42.059 0.162 0.000 0.924 620 L HN 0.655 nan 8.230 nan 0.000 0.444 621 Y N -4.676 115.495 120.300 -0.215 0.000 2.670 621 Y HA 0.583 5.158 4.550 0.042 0.000 0.334 621 Y C -1.252 174.369 175.900 -0.464 0.000 1.185 621 Y CA -2.294 55.671 58.100 -0.224 0.000 1.053 621 Y CB 0.256 38.691 38.460 -0.042 0.000 1.298 621 Y HN -0.189 nan 8.280 nan 0.000 0.459 622 F N 1.204 121.135 119.950 -0.031 0.000 2.483 622 F HA 0.846 5.399 4.527 0.043 0.000 0.329 622 F C 0.159 175.799 175.800 -0.267 0.000 1.064 622 F CA -0.870 56.915 58.000 -0.359 0.000 0.986 622 F CB 2.078 40.719 39.000 -0.597 0.000 1.218 622 F HN 0.772 nan 8.300 nan 0.000 0.484 623 A N 2.077 124.789 122.820 -0.180 0.000 2.303 623 A HA 0.740 5.086 4.320 0.043 0.000 0.320 623 A C -1.728 175.646 177.584 -0.351 0.000 1.192 623 A CA -0.440 51.545 52.037 -0.087 0.000 0.821 623 A CB 0.158 19.210 19.000 0.087 0.000 1.188 623 A HN 0.681 nan 8.150 nan 0.000 0.492 624 Y N 0.862 121.078 120.300 -0.141 0.000 2.567 624 Y HA 0.775 5.351 4.550 0.043 0.000 0.333 624 Y C 0.930 176.503 175.900 -0.546 0.000 1.106 624 Y CA 0.047 57.978 58.100 -0.282 0.000 1.157 624 Y CB 2.527 40.797 38.460 -0.316 0.000 1.277 624 Y HN 1.025 nan 8.280 nan 0.000 0.490 625 G N -0.472 108.188 108.800 -0.234 0.000 2.451 625 G HA2 0.654 4.640 3.960 0.043 0.000 0.292 625 G HA3 0.654 4.640 3.960 0.043 0.000 0.292 625 G C -2.236 172.624 174.900 -0.066 0.000 1.427 625 G CA -0.304 44.662 45.100 -0.223 0.000 0.792 625 G HN 0.882 nan 8.290 nan 0.000 0.498 626 A N -1.203 121.613 122.820 -0.007 0.000 2.547 626 A HA 1.027 5.372 4.320 0.043 0.000 0.297 626 A C -0.516 177.078 177.584 0.018 0.000 1.056 626 A CA 0.175 52.211 52.037 -0.002 0.000 0.688 626 A CB 1.548 20.513 19.000 -0.059 0.000 1.282 626 A HN 2.473 nan 8.150 nan 0.000 0.400 627 A N 1.665 124.496 122.820 0.017 0.000 2.359 627 A HA 0.751 5.096 4.320 0.043 0.000 0.303 627 A C -0.968 176.587 177.584 -0.047 0.000 1.066 627 A CA -0.311 51.721 52.037 -0.009 0.000 0.730 627 A CB 0.630 19.663 19.000 0.054 0.000 1.211 627 A HN 0.776 nan 8.150 nan 0.000 0.439 628 I N 2.529 123.040 120.570 -0.097 0.000 2.328 628 I HA 0.342 4.538 4.170 0.043 0.000 0.287 628 I C -0.100 175.987 176.117 -0.050 0.000 1.012 628 I CA -0.004 61.229 61.300 -0.112 0.000 1.195 628 I CB 1.884 39.766 38.000 -0.197 0.000 1.350 628 I HN 0.572 nan 8.210 nan 0.000 0.464 629 T N 5.428 119.984 114.554 0.003 0.000 2.855 629 T HA 0.365 4.741 4.350 0.043 0.000 0.281 629 T C -0.524 174.185 174.700 0.016 0.000 1.007 629 T CA -0.641 61.467 62.100 0.013 0.000 1.009 629 T CB 1.960 70.875 68.868 0.079 0.000 0.983 629 T HN 0.504 nan 8.240 nan 0.000 0.455 630 E N 1.949 122.138 120.200 -0.019 0.000 2.234 630 E HA 0.618 4.994 4.350 0.043 0.000 0.266 630 E C -1.093 175.463 176.600 -0.072 0.000 0.877 630 E CA -0.757 55.619 56.400 -0.039 0.000 0.758 630 E CB 1.583 31.252 29.700 -0.052 0.000 1.170 630 E HN 0.524 nan 8.360 nan 0.000 0.415 631 V N 0.424 120.286 119.914 -0.087 0.000 3.167 631 V HA 0.814 4.960 4.120 0.043 0.000 0.310 631 V C -0.716 175.301 176.094 -0.128 0.000 1.207 631 V CA -0.826 61.416 62.300 -0.098 0.000 1.059 631 V CB 1.628 33.404 31.823 -0.078 0.000 1.079 631 V HN 0.421 nan 8.190 nan 0.000 0.446 632 V N 0.316 120.162 119.914 -0.113 0.000 2.760 632 V HA 0.823 4.969 4.120 0.043 0.000 0.309 632 V C -0.406 175.656 176.094 -0.054 0.000 1.077 632 V CA -0.552 61.687 62.300 -0.102 0.000 0.910 632 V CB 1.208 32.956 31.823 -0.124 0.000 1.008 632 V HN 1.327 nan 8.190 nan 0.000 0.424 633 I N -0.527 120.028 120.570 -0.025 0.000 2.846 633 I HA 0.853 5.049 4.170 0.043 0.000 0.307 633 I C -1.089 175.034 176.117 0.010 0.000 1.053 633 I CA -0.555 60.732 61.300 -0.022 0.000 1.050 633 I CB 2.242 40.213 38.000 -0.048 0.000 1.239 633 I HN 0.630 nan 8.210 nan 0.000 0.439 634 D N 2.654 123.052 120.400 -0.003 0.000 2.349 634 D HA 0.342 5.008 4.640 0.043 0.000 0.232 634 D C 0.744 177.039 176.300 -0.009 0.000 1.071 634 D CA -0.517 53.486 54.000 0.005 0.000 0.832 634 D CB 1.369 42.170 40.800 0.001 0.000 1.086 634 D HN 0.493 nan 8.370 nan 0.000 0.504 635 R N 2.713 123.209 120.500 -0.006 0.000 2.193 635 R HA -0.032 4.334 4.340 0.043 0.000 0.229 635 R C 1.477 177.765 176.300 -0.021 0.000 1.110 635 R CA 0.709 56.798 56.100 -0.019 0.000 0.988 635 R CB 0.068 30.358 30.300 -0.018 0.000 0.871 635 R HN 0.530 nan 8.270 nan 0.000 0.458 636 L N -0.518 120.696 121.223 -0.016 0.000 2.162 636 L HA -0.072 4.294 4.340 0.043 0.000 0.205 636 L C 2.262 179.121 176.870 -0.018 0.000 1.086 636 L CA 1.465 56.295 54.840 -0.017 0.000 0.778 636 L CB -0.017 42.034 42.059 -0.013 0.000 0.928 636 L HN 0.297 nan 8.230 nan 0.000 0.446 637 T N -6.148 108.395 114.554 -0.018 0.000 3.019 637 T HA 0.313 4.688 4.350 0.043 0.000 0.247 637 T C 1.365 176.050 174.700 -0.026 0.000 0.992 637 T CA 0.538 62.626 62.100 -0.020 0.000 1.036 637 T CB 1.018 69.876 68.868 -0.017 0.000 1.063 637 T HN 0.263 nan 8.240 nan 0.000 0.476 638 G N 1.456 110.239 108.800 -0.028 0.000 2.163 638 G HA2 -0.177 3.808 3.960 0.043 0.000 0.213 638 G HA3 -0.177 3.808 3.960 0.043 0.000 0.213 638 G C -0.262 174.616 174.900 -0.037 0.000 0.991 638 G CA -0.139 44.939 45.100 -0.037 0.000 0.653 638 G HN 0.650 nan 8.290 nan 0.000 0.518 639 E N 0.582 120.766 120.200 -0.028 0.000 2.415 639 E HA 0.405 4.780 4.350 0.043 0.000 0.262 639 E C 0.464 177.046 176.600 -0.030 0.000 1.038 639 E CA 0.878 57.262 56.400 -0.027 0.000 0.921 639 E CB 0.281 29.970 29.700 -0.018 0.000 0.950 639 E HN 0.758 nan 8.360 nan 0.000 0.438 640 N N 1.136 119.814 118.700 -0.036 0.000 2.598 640 N HA 0.400 5.166 4.740 0.043 0.000 0.263 640 N C -1.538 173.944 175.510 -0.046 0.000 1.254 640 N CA -1.064 51.960 53.050 -0.044 0.000 0.863 640 N CB 1.586 40.039 38.487 -0.057 0.000 1.586 640 N HN 0.354 nan 8.380 nan 0.000 0.491 641 R N 1.308 121.777 120.500 -0.052 0.000 2.604 641 R HA 0.519 4.885 4.340 0.043 0.000 0.281 641 R C -1.424 174.836 176.300 -0.068 0.000 1.020 641 R CA -0.791 55.277 56.100 -0.054 0.000 0.899 641 R CB 1.303 31.577 30.300 -0.043 0.000 1.205 641 R HN 0.708 nan 8.270 nan 0.000 0.450 642 I N 6.118 126.647 120.570 -0.068 0.000 2.396 642 I HA 0.051 4.247 4.170 0.043 0.000 0.289 642 I C 0.983 177.049 176.117 -0.084 0.000 1.056 642 I CA -0.136 61.118 61.300 -0.076 0.000 1.365 642 I CB 1.151 39.107 38.000 -0.074 0.000 1.407 642 I HN 0.648 nan 8.210 nan 0.000 0.509 643 L N 5.574 126.742 121.223 -0.093 0.000 2.357 643 L HA 0.276 4.642 4.340 0.043 0.000 0.211 643 L C 0.935 177.751 176.870 -0.090 0.000 1.075 643 L CA 0.320 55.104 54.840 -0.093 0.000 0.830 643 L CB 0.044 42.032 42.059 -0.119 0.000 0.996 643 L HN 0.589 nan 8.230 nan 0.000 0.467 644 R N -0.808 119.631 120.500 -0.101 0.000 2.594 644 R HA 0.412 4.778 4.340 0.043 0.000 0.265 644 R C -1.654 174.562 176.300 -0.141 0.000 1.070 644 R CA -0.304 55.733 56.100 -0.104 0.000 0.909 644 R CB 2.100 32.362 30.300 -0.064 0.000 1.243 644 R HN -0.228 nan 8.270 nan 0.000 0.455 645 T N 2.042 116.470 114.554 -0.210 0.000 2.893 645 T HA 0.402 4.778 4.350 0.043 0.000 0.293 645 T C -1.672 172.935 174.700 -0.155 0.000 1.027 645 T CA -0.657 61.279 62.100 -0.274 0.000 0.988 645 T CB 1.697 70.168 68.868 -0.661 0.000 1.043 645 T HN 0.528 nan 8.240 nan 0.000 0.461 646 D N 1.635 121.960 120.400 -0.125 0.000 2.542 646 D HA 0.527 5.192 4.640 0.043 0.000 0.252 646 D C -0.776 175.487 176.300 -0.062 0.000 1.222 646 D CA -0.262 53.706 54.000 -0.054 0.000 0.895 646 D CB 1.238 42.022 40.800 -0.026 0.000 1.207 646 D HN 0.351 nan 8.370 nan 0.000 0.558 647 I N 2.299 122.856 120.570 -0.022 0.000 2.433 647 I HA 0.392 4.587 4.170 0.043 0.000 0.292 647 I C -1.156 174.996 176.117 0.059 0.000 1.001 647 I CA -1.081 60.222 61.300 0.006 0.000 1.119 647 I CB 1.689 39.690 38.000 0.003 0.000 1.289 647 I HN 0.135 nan 8.210 nan 0.000 0.438 648 L N 7.165 128.435 121.223 0.078 0.000 2.319 648 L HA 0.510 4.876 4.340 0.043 0.000 0.281 648 L C -1.139 175.828 176.870 0.161 0.000 1.005 648 L CA -0.090 54.827 54.840 0.128 0.000 0.828 648 L CB 0.981 43.112 42.059 0.120 0.000 1.227 648 L HN 0.536 nan 8.230 nan 0.000 0.415 649 H N 1.826 120.966 119.070 0.117 0.000 2.637 649 H HA 0.449 5.031 4.556 0.043 0.000 0.363 649 H C -1.376 174.072 175.328 0.200 0.000 1.131 649 H CA -0.678 55.439 56.048 0.115 0.000 1.183 649 H CB 1.635 31.447 29.762 0.083 0.000 1.637 649 H HN 0.663 nan 8.280 nan 0.000 0.531 650 D N 2.983 123.349 120.400 -0.057 0.000 2.347 650 D HA 0.289 4.955 4.640 0.043 0.000 0.235 650 D C -0.212 176.244 176.300 0.259 0.000 1.149 650 D CA -0.109 54.018 54.000 0.212 0.000 0.850 650 D CB 0.853 41.748 40.800 0.158 0.000 1.061 650 D HN 0.610 nan 8.370 nan 0.000 0.487 651 A N 3.372 126.361 122.820 0.281 0.000 2.500 651 A HA 0.627 4.973 4.320 0.043 0.000 0.267 651 A C 1.297 178.969 177.584 0.146 0.000 1.290 651 A CA 0.328 52.498 52.037 0.221 0.000 0.928 651 A CB -0.600 18.505 19.000 0.175 0.000 1.066 651 A HN 0.928 nan 8.150 nan 0.000 0.516 652 G N -0.019 108.875 108.800 0.157 0.000 2.564 652 G HA2 0.100 4.086 3.960 0.043 0.000 0.273 652 G HA3 0.100 4.086 3.960 0.043 0.000 0.273 652 G C 0.590 175.519 174.900 0.048 0.000 1.242 652 G CA -0.005 45.147 45.100 0.087 0.000 0.951 652 G HN 1.780 nan 8.290 nan 0.000 0.564 653 A N 0.020 122.850 122.820 0.017 0.000 2.915 653 A HA 0.650 4.996 4.320 0.043 0.000 0.292 653 A C 1.020 178.613 177.584 0.013 0.000 1.632 653 A CA 1.489 53.530 52.037 0.007 0.000 1.337 653 A CB -0.562 18.446 19.000 0.013 0.000 1.111 653 A HN 2.315 nan 8.150 nan 0.000 0.569 654 S N 1.641 117.350 115.700 0.015 0.000 2.599 654 S HA 0.011 4.506 4.470 0.043 0.000 0.303 654 S C 1.218 175.808 174.600 -0.018 0.000 1.267 654 S CA -0.023 58.184 58.200 0.012 0.000 1.055 654 S CB -0.080 63.129 63.200 0.016 0.000 0.790 654 S HN 0.553 nan 8.310 nan 0.000 0.500 655 L N 3.563 124.773 121.223 -0.022 0.000 2.240 655 L HA 0.192 4.558 4.340 0.043 0.000 0.211 655 L C 1.209 178.036 176.870 -0.072 0.000 1.106 655 L CA 0.471 55.273 54.840 -0.064 0.000 0.793 655 L CB -0.142 41.887 42.059 -0.051 0.000 0.927 655 L HN 0.629 nan 8.230 nan 0.000 0.446 656 N N -1.239 117.437 118.700 -0.040 0.000 2.629 656 N HA 0.147 4.913 4.740 0.043 0.000 0.277 656 N C -2.357 173.143 175.510 -0.017 0.000 1.188 656 N CA -1.090 51.939 53.050 -0.034 0.000 0.835 656 N CB 1.749 40.218 38.487 -0.029 0.000 1.420 656 N HN -0.286 nan 8.380 nan 0.000 0.542 657 P HA -0.033 nan 4.420 nan 0.000 0.216 657 P C 1.122 178.416 177.300 -0.009 0.000 1.153 657 P CA 1.200 64.295 63.100 -0.009 0.000 0.848 657 P CB 0.387 32.077 31.700 -0.016 0.000 0.787 658 A N -0.044 122.769 122.820 -0.011 0.000 1.851 658 A HA -0.197 4.149 4.320 0.043 0.000 0.216 658 A C 2.287 179.870 177.584 -0.002 0.000 1.195 658 A CA 1.714 53.746 52.037 -0.008 0.000 0.622 658 A CB -1.754 17.244 19.000 -0.003 0.000 0.831 658 A HN 0.097 nan 8.150 nan 0.000 0.444 659 L N -0.622 120.606 121.223 0.009 0.000 2.042 659 L HA -0.232 4.134 4.340 0.043 0.000 0.210 659 L C 2.152 179.027 176.870 0.009 0.000 1.076 659 L CA 1.673 56.526 54.840 0.022 0.000 0.749 659 L CB -0.798 41.281 42.059 0.032 0.000 0.893 659 L HN 0.338 nan 8.230 nan 0.000 0.432 660 D N -0.053 120.348 120.400 0.002 0.000 2.144 660 D HA -0.149 4.517 4.640 0.043 0.000 0.200 660 D C 2.234 178.522 176.300 -0.021 0.000 0.978 660 D CA 0.941 54.940 54.000 -0.001 0.000 0.833 660 D CB -0.010 40.800 40.800 0.017 0.000 0.961 660 D HN 0.149 nan 8.370 nan 0.000 0.470 661 I N 0.888 121.442 120.570 -0.027 0.000 2.226 661 I HA -0.135 4.060 4.170 0.043 0.000 0.245 661 I C 2.525 178.593 176.117 -0.081 0.000 1.100 661 I CA 1.259 62.523 61.300 -0.059 0.000 1.374 661 I CB -1.566 36.396 38.000 -0.064 0.000 1.057 661 I HN 0.012 nan 8.210 nan 0.000 0.413 662 G N 0.440 109.208 108.800 -0.052 0.000 2.446 662 G HA2 -0.258 3.728 3.960 0.043 0.000 0.217 662 G HA3 -0.258 3.728 3.960 0.043 0.000 0.217 662 G C 1.544 176.432 174.900 -0.021 0.000 1.168 662 G CA 0.362 45.437 45.100 -0.041 0.000 0.771 662 G HN 0.351 nan 8.290 nan 0.000 0.551 663 Q N 0.078 119.873 119.800 -0.009 0.000 2.084 663 Q HA -0.035 4.330 4.340 0.043 0.000 0.202 663 Q C 2.763 178.761 176.000 -0.004 0.000 0.978 663 Q CA 0.965 56.773 55.803 0.007 0.000 0.844 663 Q CB -0.218 28.517 28.738 -0.005 0.000 0.898 663 Q HN 0.618 nan 8.270 nan 0.000 0.426 664 I N 0.573 121.110 120.570 -0.056 0.000 2.202 664 I HA -0.244 3.952 4.170 0.043 0.000 0.242 664 I C 2.164 178.300 176.117 0.031 0.000 1.091 664 I CA 1.046 62.307 61.300 -0.064 0.000 1.368 664 I CB -0.328 37.598 38.000 -0.124 0.000 1.058 664 I HN 0.175 nan 8.210 nan 0.000 0.410 665 E N 1.043 121.196 120.200 -0.078 0.000 2.097 665 E HA -0.204 4.172 4.350 0.043 0.000 0.196 665 E C 2.302 178.972 176.600 0.116 0.000 1.000 665 E CA 1.408 57.710 56.400 -0.163 0.000 0.804 665 E CB -0.391 29.045 29.700 -0.441 0.000 0.740 665 E HN 0.628 nan 8.360 nan 0.000 0.454 666 G N 1.020 109.871 108.800 0.084 0.000 2.414 666 G HA2 -0.206 3.780 3.960 0.043 0.000 0.215 666 G HA3 -0.206 3.780 3.960 0.043 0.000 0.215 666 G C 1.709 176.724 174.900 0.191 0.000 1.188 666 G CA 0.828 46.014 45.100 0.143 0.000 0.783 666 G HN 0.352 nan 8.290 nan 0.000 0.537 667 A N -0.003 122.930 122.820 0.189 0.000 1.902 667 A HA -0.058 4.288 4.320 0.043 0.000 0.217 667 A C 2.212 179.886 177.584 0.150 0.000 1.181 667 A CA 1.793 53.964 52.037 0.224 0.000 0.623 667 A CB -0.762 18.347 19.000 0.181 0.000 0.818 667 A HN 0.500 nan 8.150 nan 0.000 0.443 668 Y N 0.673 121.010 120.300 0.062 0.000 2.128 668 Y HA -0.215 4.360 4.550 0.043 0.000 0.284 668 Y C 2.321 178.218 175.900 -0.006 0.000 1.154 668 Y CA 2.094 60.212 58.100 0.030 0.000 1.149 668 Y CB -0.472 38.082 38.460 0.158 0.000 0.976 668 Y HN 0.057 nan 8.280 nan 0.000 0.505 669 V N 0.635 120.593 119.914 0.072 0.000 2.407 669 V HA -0.344 3.802 4.120 0.043 0.000 0.248 669 V C 2.403 178.426 176.094 -0.118 0.000 1.055 669 V CA 2.346 64.621 62.300 -0.043 0.000 1.049 669 V CB -0.717 31.186 31.823 0.134 0.000 0.662 669 V HN 0.497 nan 8.190 nan 0.000 0.455 670 Q N -0.322 119.455 119.800 -0.037 0.000 2.079 670 Q HA -0.106 4.260 4.340 0.043 0.000 0.200 670 Q C 2.286 178.170 176.000 -0.194 0.000 0.974 670 Q CA 1.677 57.493 55.803 0.022 0.000 0.840 670 Q CB -0.428 28.452 28.738 0.235 0.000 0.898 670 Q HN 0.671 nan 8.270 nan 0.000 0.430 671 G N 0.395 108.782 108.800 -0.689 0.000 2.480 671 G HA2 -0.308 3.678 3.960 0.043 0.000 0.216 671 G HA3 -0.308 3.678 3.960 0.043 0.000 0.216 671 G C 1.443 176.037 174.900 -0.510 0.000 1.200 671 G CA 1.014 45.403 45.100 -1.185 0.000 0.782 671 G HN 0.489 nan 8.290 nan 0.000 0.554 672 A N 0.886 123.375 122.820 -0.550 0.000 1.883 672 A HA 0.076 4.422 4.320 0.043 0.000 0.217 672 A C 2.750 180.184 177.584 -0.249 0.000 1.186 672 A CA 2.349 54.121 52.037 -0.441 0.000 0.624 672 A CB -1.257 17.357 19.000 -0.644 0.000 0.822 672 A HN 0.653 nan 8.150 nan 0.000 0.444 673 G N -1.539 107.147 108.800 -0.191 0.000 2.440 673 G HA2 -0.315 3.670 3.960 0.043 0.000 0.218 673 G HA3 -0.315 3.670 3.960 0.043 0.000 0.218 673 G C 1.356 176.238 174.900 -0.030 0.000 1.154 673 G CA 1.223 46.266 45.100 -0.095 0.000 0.767 673 G HN 0.749 nan 8.290 nan 0.000 0.552 674 W N 1.258 122.443 121.300 -0.192 0.000 2.342 674 W HA 0.021 4.708 4.660 0.044 0.000 0.297 674 W C 1.659 178.085 176.519 -0.155 0.000 1.213 674 W CA 1.029 58.284 57.345 -0.151 0.000 1.251 674 W CB -0.292 29.089 29.460 -0.132 0.000 1.136 674 W HN 0.117 nan 8.180 nan 0.000 0.526 675 L N 1.033 122.027 121.223 -0.381 0.000 2.653 675 L HA 0.170 4.536 4.340 0.043 0.000 0.231 675 L C 1.419 178.184 176.870 -0.176 0.000 1.153 675 L CA 0.737 55.265 54.840 -0.520 0.000 0.933 675 L CB -0.836 40.888 42.059 -0.558 0.000 1.175 675 L HN 0.056 nan 8.230 nan 0.000 0.473 676 T N -6.020 108.446 114.554 -0.146 0.000 2.639 676 T HA -0.014 4.362 4.350 0.043 0.000 0.156 676 T C 1.480 176.111 174.700 -0.114 0.000 0.817 676 T CA 0.634 62.679 62.100 -0.091 0.000 0.914 676 T CB -0.272 68.543 68.868 -0.089 0.000 2.461 676 T HN 0.034 nan 8.240 nan 0.000 0.367 677 T N 0.148 114.623 114.554 -0.132 0.000 3.072 677 T HA 0.163 4.539 4.350 0.043 0.000 0.266 677 T C 0.533 175.075 174.700 -0.263 0.000 1.127 677 T CA 0.376 62.377 62.100 -0.166 0.000 1.107 677 T CB -0.625 68.151 68.868 -0.154 0.000 0.910 677 T HN 0.556 nan 8.240 nan 0.000 0.513 678 E N 1.901 121.934 120.200 -0.278 0.000 2.129 678 E HA 0.322 4.698 4.350 0.043 0.000 0.283 678 E C -0.385 176.044 176.600 -0.284 0.000 1.080 678 E CA -0.127 55.995 56.400 -0.463 0.000 0.867 678 E CB 0.590 30.128 29.700 -0.269 0.000 1.056 678 E HN 0.505 nan 8.360 nan 0.000 0.404 679 E N 4.651 124.644 120.200 -0.345 0.000 2.281 679 E HA 0.204 4.579 4.350 0.043 0.000 0.266 679 E C -1.245 175.350 176.600 -0.009 0.000 0.893 679 E CA -0.536 55.805 56.400 -0.099 0.000 0.798 679 E CB 1.030 30.674 29.700 -0.094 0.000 1.245 679 E HN 0.406 nan 8.360 nan 0.000 0.410 680 L N 3.773 125.041 121.223 0.074 0.000 2.326 680 L HA 0.447 4.812 4.340 0.043 0.000 0.278 680 L C -0.620 176.167 176.870 -0.139 0.000 1.092 680 L CA -0.617 54.179 54.840 -0.072 0.000 0.810 680 L CB 1.414 43.383 42.059 -0.149 0.000 1.153 680 L HN 0.342 nan 8.230 nan 0.000 0.439 681 V N 2.384 122.128 119.914 -0.283 0.000 2.569 681 V HA 0.379 4.525 4.120 0.043 0.000 0.301 681 V C -0.648 175.330 176.094 -0.193 0.000 1.044 681 V CA -0.714 61.525 62.300 -0.102 0.000 0.874 681 V CB 1.794 33.604 31.823 -0.022 0.000 1.002 681 V HN 0.612 nan 8.190 nan 0.000 0.424 682 W N 2.834 124.179 121.300 0.074 0.000 2.509 682 W HA 0.433 5.118 4.660 0.042 0.000 0.351 682 W C 0.150 176.712 176.519 0.072 0.000 1.107 682 W CA -0.310 57.077 57.345 0.069 0.000 1.264 682 W CB 1.895 31.391 29.460 0.059 0.000 1.312 682 W HN 0.735 nan 8.180 nan 0.000 0.608 683 D N -0.102 120.473 120.400 0.292 0.000 2.478 683 D HA -0.074 4.592 4.640 0.043 0.000 0.274 683 D C 1.299 177.736 176.300 0.228 0.000 1.234 683 D CA 0.086 54.228 54.000 0.237 0.000 1.069 683 D CB 0.000 40.917 40.800 0.195 0.000 1.113 683 D HN 0.511 nan 8.370 nan 0.000 0.571 684 H N -1.418 117.702 119.070 0.083 0.000 2.556 684 H HA 0.100 4.682 4.556 0.043 0.000 0.268 684 H C 0.422 175.774 175.328 0.040 0.000 0.996 684 H CA -0.046 56.036 56.048 0.056 0.000 1.157 684 H CB -0.811 28.973 29.762 0.037 0.000 1.355 684 H HN 0.255 nan 8.280 nan 0.000 0.597 685 C N 0.030 119.162 119.300 -0.279 0.000 3.385 685 C HA 0.499 4.985 4.460 0.043 0.000 0.288 685 C C 1.831 176.768 174.990 -0.089 0.000 1.429 685 C CA 0.140 59.000 59.018 -0.264 0.000 1.778 685 C CB -0.047 27.466 27.740 -0.378 0.000 2.503 685 C HN 0.827 nan 8.230 nan 0.000 0.646 686 G N 1.601 110.413 108.800 0.020 0.000 2.157 686 G HA2 -0.228 3.758 3.960 0.043 0.000 0.248 686 G HA3 -0.228 3.758 3.960 0.043 0.000 0.248 686 G C 0.037 175.099 174.900 0.271 0.000 0.979 686 G CA -0.343 44.821 45.100 0.107 0.000 0.650 686 G HN 0.594 nan 8.290 nan 0.000 0.529 687 R N -0.003 120.606 120.500 0.182 0.000 2.248 687 R HA 0.410 4.776 4.340 0.043 0.000 0.328 687 R C 0.414 176.824 176.300 0.183 0.000 1.067 687 R CA -0.703 55.484 56.100 0.145 0.000 0.924 687 R CB 0.861 31.182 30.300 0.036 0.000 1.013 687 R HN 0.255 nan 8.270 nan 0.000 0.454 688 L N 4.220 125.505 121.223 0.103 0.000 2.513 688 L HA -0.027 4.338 4.340 0.043 0.000 0.272 688 L C 0.792 177.647 176.870 -0.024 0.000 1.187 688 L CA 0.759 55.477 54.840 -0.204 0.000 0.895 688 L CB 0.625 42.523 42.059 -0.269 0.000 1.147 688 L HN 0.687 nan 8.230 nan 0.000 0.483 689 M N 2.317 121.887 119.600 -0.050 0.000 2.486 689 M HA 0.099 4.605 4.480 0.043 0.000 0.264 689 M C 0.830 177.142 176.300 0.021 0.000 1.125 689 M CA 0.610 55.944 55.300 0.056 0.000 1.144 689 M CB -0.942 31.673 32.600 0.026 0.000 1.353 689 M HN 0.738 nan 8.290 nan 0.000 0.466 690 T N -0.535 113.979 114.554 -0.068 0.000 3.145 690 T HA 0.291 4.667 4.350 0.043 0.000 0.348 690 T C 0.503 175.166 174.700 -0.062 0.000 1.299 690 T CA -0.550 61.501 62.100 -0.082 0.000 1.037 690 T CB -0.512 68.337 68.868 -0.032 0.000 1.122 690 T HN 0.491 nan 8.240 nan 0.000 0.600 691 H N 0.894 119.918 119.070 -0.077 0.000 3.233 691 H HA 0.609 5.190 4.556 0.043 0.000 0.263 691 H C 0.057 175.366 175.328 -0.031 0.000 1.168 691 H CA -0.552 55.452 56.048 -0.074 0.000 1.159 691 H CB 0.053 29.779 29.762 -0.060 0.000 1.593 691 H HN 0.649 nan 8.280 nan 0.000 0.580 692 A N 1.741 124.402 122.820 -0.264 0.000 2.435 692 A HA 0.545 4.891 4.320 0.043 0.000 0.296 692 A C -2.076 175.447 177.584 -0.102 0.000 1.147 692 A CA -1.795 50.163 52.037 -0.132 0.000 0.775 692 A CB 1.745 20.629 19.000 -0.193 0.000 1.340 692 A HN -0.023 nan 8.150 nan 0.000 0.427 693 P HA -0.058 nan 4.420 nan 0.000 0.225 693 P C 1.407 178.652 177.300 -0.091 0.000 1.156 693 P CA 1.704 64.728 63.100 -0.127 0.000 0.787 693 P CB 0.108 31.841 31.700 0.054 0.000 0.802 694 S N -1.103 114.559 115.700 -0.064 0.000 2.419 694 S HA -0.133 4.362 4.470 0.043 0.000 0.233 694 S C 1.768 176.317 174.600 -0.086 0.000 1.016 694 S CA 1.916 60.079 58.200 -0.063 0.000 0.974 694 S CB -1.831 61.337 63.200 -0.053 0.000 0.786 694 S HN 0.306 nan 8.310 nan 0.000 0.492 695 T N -3.216 111.274 114.554 -0.108 0.000 3.000 695 T HA 0.244 4.620 4.350 0.043 0.000 0.248 695 T C 0.214 174.864 174.700 -0.084 0.000 1.034 695 T CA -0.309 61.729 62.100 -0.104 0.000 1.060 695 T CB -0.458 68.331 68.868 -0.132 0.000 0.983 695 T HN 0.378 nan 8.240 nan 0.000 0.482 696 Y N 1.873 122.038 120.300 -0.225 0.000 2.326 696 Y HA 0.588 5.165 4.550 0.044 0.000 0.337 696 Y C -0.605 175.126 175.900 -0.282 0.000 1.023 696 Y CA -1.107 56.843 58.100 -0.250 0.000 1.143 696 Y CB 1.084 39.363 38.460 -0.302 0.000 1.183 696 Y HN -0.193 nan 8.280 nan 0.000 0.485 697 K N 7.596 127.663 120.400 -0.554 0.000 2.499 697 K HA 0.292 4.637 4.320 0.043 0.000 0.215 697 K C -0.922 175.478 176.600 -0.333 0.000 1.041 697 K CA -0.329 55.751 56.287 -0.345 0.000 1.031 697 K CB -0.227 32.124 32.500 -0.249 0.000 1.479 697 K HN 0.684 nan 8.250 nan 0.000 0.518 698 I N -1.286 119.156 120.570 -0.214 0.000 2.823 698 I HA 0.452 4.648 4.170 0.043 0.000 0.290 698 I C -1.868 174.228 176.117 -0.035 0.000 1.091 698 I CA -2.208 59.048 61.300 -0.073 0.000 1.365 698 I CB 0.269 38.312 38.000 0.072 0.000 1.427 698 I HN 0.246 nan 8.210 nan 0.000 0.583 699 P HA 0.106 nan 4.420 nan 0.000 0.260 699 P C -0.526 176.794 177.300 0.034 0.000 1.185 699 P CA 0.182 63.278 63.100 -0.007 0.000 0.763 699 P CB 0.394 32.087 31.700 -0.012 0.000 0.776 700 A N 3.242 126.086 122.820 0.039 0.000 2.246 700 A HA 0.292 4.638 4.320 0.043 0.000 0.291 700 A C 1.061 178.717 177.584 0.120 0.000 1.103 700 A CA -0.430 51.663 52.037 0.093 0.000 0.844 700 A CB -0.211 18.841 19.000 0.086 0.000 1.136 700 A HN 0.516 nan 8.150 nan 0.000 0.500 701 F N 1.160 121.138 119.950 0.046 0.000 2.043 701 F HA -0.290 4.263 4.527 0.042 0.000 0.297 701 F C 2.810 178.640 175.800 0.049 0.000 1.118 701 F CA 3.188 61.220 58.000 0.053 0.000 1.202 701 F CB -0.162 38.866 39.000 0.047 0.000 0.965 701 F HN 0.563 nan 8.300 nan 0.000 0.482 702 S N -0.791 115.086 115.700 0.296 0.000 2.469 702 S HA -0.185 4.310 4.470 0.043 0.000 0.238 702 S C 1.473 176.113 174.600 0.068 0.000 0.998 702 S CA 1.344 59.654 58.200 0.185 0.000 0.957 702 S CB -0.670 62.615 63.200 0.143 0.000 0.764 702 S HN 0.425 nan 8.310 nan 0.000 0.514 703 D N 2.139 122.561 120.400 0.037 0.000 2.264 703 D HA -0.037 4.629 4.640 0.043 0.000 0.208 703 D C 1.218 177.498 176.300 -0.033 0.000 0.966 703 D CA 0.489 54.485 54.000 -0.007 0.000 0.864 703 D CB -0.408 40.384 40.800 -0.013 0.000 0.933 703 D HN 0.711 nan 8.370 nan 0.000 0.499 704 R N 1.335 121.808 120.500 -0.044 0.000 2.698 704 R HA 0.088 4.453 4.340 0.043 0.000 0.266 704 R C -2.505 173.757 176.300 -0.063 0.000 1.026 704 R CA -0.996 55.084 56.100 -0.034 0.000 1.102 704 R CB -0.527 29.747 30.300 -0.045 0.000 0.978 704 R HN -0.175 nan 8.270 nan 0.000 0.436 705 P HA -0.021 nan 4.420 nan 0.000 0.262 705 P C 0.094 177.342 177.300 -0.086 0.000 1.182 705 P CA 0.021 62.983 63.100 -0.230 0.000 0.761 705 P CB 0.471 31.808 31.700 -0.606 0.000 0.795 706 R N 2.582 123.050 120.500 -0.053 0.000 2.152 706 R HA 0.006 4.372 4.340 0.043 0.000 0.232 706 R C 0.662 176.972 176.300 0.016 0.000 1.117 706 R CA 1.124 57.222 56.100 -0.003 0.000 0.981 706 R CB -0.260 30.033 30.300 -0.012 0.000 0.870 706 R HN 0.514 nan 8.270 nan 0.000 0.451 707 I N 0.056 120.621 120.570 -0.008 0.000 2.466 707 I HA 0.264 4.460 4.170 0.043 0.000 0.289 707 I C -0.951 175.190 176.117 0.039 0.000 1.026 707 I CA -0.555 60.763 61.300 0.029 0.000 1.078 707 I CB 2.026 40.031 38.000 0.009 0.000 1.249 707 I HN -0.154 nan 8.210 nan 0.000 0.429 708 F N 6.117 126.042 119.950 -0.041 0.000 2.500 708 F HA 0.438 4.990 4.527 0.043 0.000 0.349 708 F C -0.431 175.330 175.800 -0.066 0.000 1.127 708 F CA -0.831 57.127 58.000 -0.069 0.000 0.998 708 F CB 1.002 39.968 39.000 -0.057 0.000 1.237 708 F HN 0.437 nan 8.300 nan 0.000 0.439 709 N N 5.661 124.523 118.700 0.270 0.000 2.707 709 N HA 0.256 5.022 4.740 0.043 0.000 0.235 709 N C -1.102 174.458 175.510 0.085 0.000 1.028 709 N CA -0.185 52.935 53.050 0.117 0.000 0.906 709 N CB 2.150 40.675 38.487 0.063 0.000 1.131 709 N HN 0.166 nan 8.380 nan 0.000 0.509 710 V N 1.177 121.105 119.914 0.024 0.000 2.350 710 V HA 0.747 4.892 4.120 0.043 0.000 0.276 710 V C 0.139 176.238 176.094 0.007 0.000 1.028 710 V CA -0.783 61.513 62.300 -0.006 0.000 0.860 710 V CB 1.035 32.792 31.823 -0.110 0.000 0.990 710 V HN 0.618 nan 8.190 nan 0.000 0.453 711 A N 5.645 128.492 122.820 0.045 0.000 2.393 711 A HA 0.860 5.206 4.320 0.043 0.000 0.306 711 A C -0.895 176.752 177.584 0.105 0.000 1.050 711 A CA -0.657 51.415 52.037 0.059 0.000 0.724 711 A CB 1.177 20.213 19.000 0.060 0.000 1.248 711 A HN 0.780 nan 8.150 nan 0.000 0.424 712 L N 2.676 123.956 121.223 0.095 0.000 2.331 712 L HA 0.193 4.559 4.340 0.043 0.000 0.278 712 L C 0.200 177.172 176.870 0.171 0.000 1.106 712 L CA -0.356 54.569 54.840 0.142 0.000 0.824 712 L CB 0.851 42.965 42.059 0.092 0.000 1.142 712 L HN 0.811 nan 8.230 nan 0.000 0.443 713 W N 5.472 126.797 121.300 0.041 0.000 2.605 713 W HA 0.011 4.697 4.660 0.042 0.000 0.327 713 W C -0.434 176.096 176.519 0.018 0.000 1.332 713 W CA -0.192 57.163 57.345 0.017 0.000 1.403 713 W CB 0.644 30.104 29.460 -0.000 0.000 1.452 713 W HN 0.541 nan 8.180 nan 0.000 0.503 714 D N 5.564 125.742 120.400 -0.369 0.000 2.428 714 D HA 0.127 4.793 4.640 0.043 0.000 0.221 714 D C -1.040 174.989 176.300 -0.453 0.000 1.123 714 D CA 0.279 54.105 54.000 -0.290 0.000 0.869 714 D CB 0.723 41.409 40.800 -0.190 0.000 1.032 714 D HN 0.524 nan 8.370 nan 0.000 0.506 715 Q N 3.965 123.590 119.800 -0.291 0.000 2.364 715 Q HA 0.308 4.674 4.340 0.043 0.000 0.251 715 Q C -2.786 173.204 176.000 -0.015 0.000 0.927 715 Q CA -1.572 54.113 55.803 -0.197 0.000 0.924 715 Q CB 2.273 30.866 28.738 -0.242 0.000 1.419 715 Q HN 0.151 nan 8.270 nan 0.000 0.427 716 P HA -0.030 nan 4.420 nan 0.000 0.268 716 P C -0.725 176.579 177.300 0.007 0.000 1.208 716 P CA -0.154 62.942 63.100 -0.006 0.000 0.777 716 P CB 0.534 32.226 31.700 -0.015 0.000 0.875 717 N N 1.668 120.345 118.700 -0.038 0.000 2.492 717 N HA 0.024 4.790 4.740 0.043 0.000 0.260 717 N C 1.142 176.620 175.510 -0.054 0.000 1.215 717 N CA 0.184 53.182 53.050 -0.087 0.000 0.923 717 N CB 0.433 38.768 38.487 -0.253 0.000 1.092 717 N HN 0.234 nan 8.380 nan 0.000 0.448 718 R N 0.891 121.378 120.500 -0.022 0.000 2.115 718 R HA 0.024 4.390 4.340 0.043 0.000 0.226 718 R C 0.010 176.300 176.300 -0.016 0.000 1.100 718 R CA 0.733 56.834 56.100 0.001 0.000 0.980 718 R CB 0.140 30.465 30.300 0.040 0.000 0.875 718 R HN 0.622 nan 8.270 nan 0.000 0.445 719 E N 1.240 121.414 120.200 -0.043 0.000 2.349 719 E HA 0.033 4.409 4.350 0.043 0.000 0.265 719 E C -0.597 175.961 176.600 -0.070 0.000 1.064 719 E CA -0.013 56.367 56.400 -0.033 0.000 0.886 719 E CB 0.811 30.512 29.700 0.002 0.000 1.036 719 E HN 0.131 nan 8.360 nan 0.000 0.413 720 E N 1.532 121.711 120.200 -0.034 0.000 1.842 720 E HA 0.047 4.423 4.350 0.043 0.000 0.278 720 E C -0.075 176.484 176.600 -0.068 0.000 1.171 720 E CA -0.103 56.266 56.400 -0.052 0.000 1.127 720 E CB -0.018 29.666 29.700 -0.026 0.000 1.100 720 E HN 0.362 nan 8.360 nan 0.000 0.456 721 T N -0.870 113.610 114.554 -0.124 0.000 2.944 721 T HA 0.304 4.680 4.350 0.043 0.000 0.284 721 T C 0.432 175.033 174.700 -0.164 0.000 1.010 721 T CA -1.030 60.981 62.100 -0.147 0.000 1.025 721 T CB 1.083 69.833 68.868 -0.196 0.000 1.079 721 T HN 0.191 nan 8.240 nan 0.000 0.516 722 I N 2.669 123.136 120.570 -0.173 0.000 3.076 722 I HA 0.093 4.289 4.170 0.043 0.000 0.287 722 I C -0.189 175.956 176.117 0.046 0.000 1.204 722 I CA -0.197 61.028 61.300 -0.124 0.000 1.370 722 I CB -1.827 36.126 38.000 -0.079 0.000 1.444 722 I HN 0.743 nan 8.210 nan 0.000 0.549 723 F N 6.678 126.570 119.950 -0.097 0.000 3.027 723 F HA -0.306 4.247 4.527 0.042 0.000 0.276 723 F C 1.075 176.828 175.800 -0.079 0.000 0.967 723 F CA 0.690 58.644 58.000 -0.076 0.000 0.929 723 F CB -1.245 37.715 39.000 -0.067 0.000 0.873 723 F HN 0.622 nan 8.300 nan 0.000 0.787 724 R N -2.196 118.301 120.500 -0.005 0.000 3.722 724 R HA -0.238 4.128 4.340 0.043 0.000 0.284 724 R C 0.588 176.861 176.300 -0.045 0.000 1.165 724 R CA 1.033 57.105 56.100 -0.046 0.000 0.779 724 R CB -2.669 27.615 30.300 -0.027 0.000 1.179 724 R HN 0.652 nan 8.270 nan 0.000 0.491 725 S N -0.509 115.175 115.700 -0.026 0.000 2.645 725 S HA 0.624 5.120 4.470 0.043 0.000 0.266 725 S C 0.207 174.762 174.600 -0.073 0.000 1.258 725 S CA -0.704 57.487 58.200 -0.015 0.000 0.990 725 S CB 2.296 65.509 63.200 0.022 0.000 0.967 725 S HN 0.187 nan 8.310 nan 0.000 0.556 726 K N 0.256 120.665 120.400 0.015 0.000 2.378 726 K HA 0.576 4.922 4.320 0.043 0.000 0.252 726 K C -0.644 176.071 176.600 0.191 0.000 0.931 726 K CA -0.814 55.541 56.287 0.113 0.000 0.794 726 K CB 2.073 34.691 32.500 0.197 0.000 1.181 726 K HN 0.835 nan 8.250 nan 0.000 0.425 727 A N 1.992 124.978 122.820 0.278 0.000 2.553 727 A HA 0.007 4.353 4.320 0.043 0.000 0.258 727 A C 0.729 178.377 177.584 0.107 0.000 1.069 727 A CA 0.119 52.240 52.037 0.140 0.000 0.767 727 A CB 0.004 19.054 19.000 0.083 0.000 0.997 727 A HN 0.547 nan 8.150 nan 0.000 0.512 728 V N 3.704 123.654 119.914 0.059 0.000 3.427 728 V HA 0.174 4.319 4.120 0.043 0.000 0.305 728 V C 1.790 177.861 176.094 -0.039 0.000 1.412 728 V CA 1.209 63.532 62.300 0.039 0.000 1.086 728 V CB -0.167 31.683 31.823 0.045 0.000 0.964 728 V HN 1.052 nan 8.190 nan 0.000 0.439 729 G N 0.160 108.929 108.800 -0.051 0.000 2.433 729 G HA2 -0.201 3.785 3.960 0.043 0.000 0.216 729 G HA3 -0.201 3.785 3.960 0.043 0.000 0.216 729 G C 1.296 176.134 174.900 -0.104 0.000 1.186 729 G CA 1.288 46.347 45.100 -0.067 0.000 0.779 729 G HN 0.579 nan 8.290 nan 0.000 0.543 730 E N 0.072 120.136 120.200 -0.226 0.000 2.206 730 E HA 0.045 4.421 4.350 0.043 0.000 0.195 730 E C -0.267 176.034 176.600 -0.498 0.000 0.935 730 E CA -0.103 56.067 56.400 -0.383 0.000 0.875 730 E CB 0.135 29.492 29.700 -0.573 0.000 0.841 730 E HN 0.215 nan 8.360 nan 0.000 0.477 731 P HA -0.181 nan 4.420 nan 0.000 0.217 731 P C -1.708 175.580 177.300 -0.021 0.000 1.158 731 P CA 2.084 64.976 63.100 -0.346 0.000 0.887 731 P CB -0.914 30.799 31.700 0.022 0.000 0.792 732 P HA -0.109 nan 4.420 nan 0.000 0.226 732 P C 1.312 178.659 177.300 0.077 0.000 1.153 732 P CA 0.695 63.748 63.100 -0.079 0.000 0.777 732 P CB -0.634 30.896 31.700 -0.283 0.000 0.794 733 F N 0.435 120.341 119.950 -0.073 0.000 2.171 733 F HA -0.166 4.388 4.527 0.043 0.000 0.300 733 F C 1.600 177.404 175.800 0.007 0.000 1.090 733 F CA 1.310 59.283 58.000 -0.044 0.000 1.293 733 F CB -0.595 38.336 39.000 -0.114 0.000 1.013 733 F HN -0.245 nan 8.300 nan 0.000 0.486 734 L N 0.163 121.476 121.223 0.149 0.000 2.362 734 L HA -0.136 4.230 4.340 0.043 0.000 0.219 734 L C 2.008 178.936 176.870 0.097 0.000 1.134 734 L CA 1.035 55.960 54.840 0.142 0.000 0.807 734 L CB -0.799 41.379 42.059 0.199 0.000 0.927 734 L HN 0.188 nan 8.230 nan 0.000 0.447 735 L N -0.866 120.431 121.223 0.123 0.000 2.450 735 L HA -0.112 4.254 4.340 0.043 0.000 0.224 735 L C 2.356 179.347 176.870 0.200 0.000 1.149 735 L CA 0.867 55.830 54.840 0.205 0.000 0.816 735 L CB -0.974 41.263 42.059 0.296 0.000 0.932 735 L HN 0.382 nan 8.230 nan 0.000 0.449 736 G N -0.032 108.731 108.800 -0.063 0.000 2.559 736 G HA2 -0.133 3.852 3.960 0.043 0.000 0.216 736 G HA3 -0.133 3.852 3.960 0.043 0.000 0.216 736 G C 1.548 176.371 174.900 -0.128 0.000 1.126 736 G CA 0.136 45.050 45.100 -0.310 0.000 0.778 736 G HN 0.322 nan 8.290 nan 0.000 0.543 737 I N 1.892 122.458 120.570 -0.007 0.000 2.286 737 I HA -0.233 3.963 4.170 0.043 0.000 0.248 737 I C 3.131 179.314 176.117 0.110 0.000 1.115 737 I CA 1.396 62.731 61.300 0.058 0.000 1.392 737 I CB -0.201 37.861 38.000 0.102 0.000 1.065 737 I HN 0.310 nan 8.210 nan 0.000 0.418 738 S N 1.393 117.164 115.700 0.118 0.000 2.402 738 S HA -0.249 4.247 4.470 0.043 0.000 0.233 738 S C 2.183 176.842 174.600 0.099 0.000 1.030 738 S CA 1.119 59.391 58.200 0.120 0.000 1.003 738 S CB -0.662 62.620 63.200 0.138 0.000 0.813 738 S HN 0.447 nan 8.310 nan 0.000 0.477 739 A N 0.964 123.833 122.820 0.082 0.000 1.898 739 A HA 0.140 4.486 4.320 0.043 0.000 0.216 739 A C 1.952 179.558 177.584 0.035 0.000 1.181 739 A CA 1.258 53.314 52.037 0.032 0.000 0.620 739 A CB -1.024 17.940 19.000 -0.059 0.000 0.819 739 A HN 0.569 nan 8.150 nan 0.000 0.442 740 F N -0.133 119.760 119.950 -0.095 0.000 2.234 740 F HA -0.056 4.497 4.527 0.043 0.000 0.299 740 F C 1.680 177.451 175.800 -0.050 0.000 1.087 740 F CA 1.033 58.974 58.000 -0.098 0.000 1.340 740 F CB -0.033 38.882 39.000 -0.142 0.000 1.031 740 F HN 0.126 nan 8.300 nan 0.000 0.500 741 L N -0.008 121.236 121.223 0.035 0.000 2.109 741 L HA 0.030 4.396 4.340 0.043 0.000 0.207 741 L C 2.607 179.479 176.870 0.004 0.000 1.086 741 L CA 1.667 56.501 54.840 -0.010 0.000 0.760 741 L CB -1.568 40.527 42.059 0.059 0.000 0.910 741 L HN 0.175 nan 8.230 nan 0.000 0.437 742 A N -1.398 121.421 122.820 -0.001 0.000 1.968 742 A HA -0.095 4.251 4.320 0.043 0.000 0.217 742 A C 2.124 179.664 177.584 -0.074 0.000 1.169 742 A CA 0.927 52.959 52.037 -0.009 0.000 0.638 742 A CB -0.508 18.495 19.000 0.005 0.000 0.812 742 A HN 0.267 nan 8.150 nan 0.000 0.446 743 L N -0.480 120.663 121.223 -0.132 0.000 2.083 743 L HA -0.139 4.227 4.340 0.043 0.000 0.209 743 L C 2.325 179.048 176.870 -0.245 0.000 1.083 743 L CA 2.425 57.149 54.840 -0.194 0.000 0.752 743 L CB -1.310 40.603 42.059 -0.243 0.000 0.899 743 L HN 0.754 nan 8.230 nan 0.000 0.433 744 H N -1.235 117.594 119.070 -0.402 0.000 2.357 744 H HA -0.181 4.401 4.556 0.043 0.000 0.301 744 H C 2.010 177.184 175.328 -0.257 0.000 1.082 744 H CA 2.023 57.830 56.048 -0.403 0.000 1.342 744 H CB -0.025 29.456 29.762 -0.469 0.000 1.389 744 H HN 0.391 nan 8.280 nan 0.000 0.511 745 D N -0.166 120.131 120.400 -0.172 0.000 2.123 745 D HA -0.158 4.508 4.640 0.043 0.000 0.196 745 D C 2.215 178.400 176.300 -0.192 0.000 0.992 745 D CA 1.556 55.462 54.000 -0.156 0.000 0.833 745 D CB -0.376 40.419 40.800 -0.008 0.000 0.954 745 D HN 0.557 nan 8.370 nan 0.000 0.455 746 A N -0.619 122.102 122.820 -0.165 0.000 1.972 746 A HA -0.147 4.199 4.320 0.043 0.000 0.219 746 A C 2.413 179.899 177.584 -0.164 0.000 1.169 746 A CA 1.287 53.246 52.037 -0.130 0.000 0.635 746 A CB -0.778 18.158 19.000 -0.107 0.000 0.810 746 A HN 0.501 nan 8.150 nan 0.000 0.446 747 C N -1.245 117.900 119.300 -0.258 0.000 2.467 747 C HA 0.205 4.690 4.460 0.043 0.000 0.279 747 C C 3.217 178.034 174.990 -0.288 0.000 1.347 747 C CA 0.382 59.236 59.018 -0.274 0.000 1.748 747 C CB -1.156 26.377 27.740 -0.346 0.000 1.977 747 C HN 0.710 nan 8.230 nan 0.000 0.501 748 A N 0.416 123.006 122.820 -0.384 0.000 2.019 748 A HA 0.139 4.485 4.320 0.043 0.000 0.219 748 A C 1.959 179.453 177.584 -0.149 0.000 1.164 748 A CA 1.737 53.598 52.037 -0.293 0.000 0.644 748 A CB -0.471 18.339 19.000 -0.317 0.000 0.805 748 A HN 0.590 nan 8.150 nan 0.000 0.449 749 A N -1.850 120.897 122.820 -0.122 0.000 2.579 749 A HA 0.375 4.721 4.320 0.043 0.000 0.273 749 A C 1.229 178.782 177.584 -0.051 0.000 1.363 749 A CA 0.469 52.467 52.037 -0.064 0.000 0.953 749 A CB -0.991 17.988 19.000 -0.035 0.000 1.034 749 A HN 0.531 nan 8.150 nan 0.000 0.536 750 C N -1.922 117.339 119.300 -0.065 0.000 2.563 750 C HA 0.580 5.066 4.460 0.043 0.000 0.346 750 C C 1.505 176.480 174.990 -0.024 0.000 1.334 750 C CA 0.371 59.361 59.018 -0.045 0.000 1.938 750 C CB -0.198 27.506 27.740 -0.060 0.000 2.445 750 C HN 0.700 nan 8.230 nan 0.000 0.541 751 G N 0.304 109.092 108.800 -0.019 0.000 2.606 751 G HA2 0.476 4.462 3.960 0.043 0.000 0.300 751 G HA3 0.476 4.462 3.960 0.043 0.000 0.300 751 G C -2.452 172.445 174.900 -0.005 0.000 1.360 751 G CA -0.079 45.031 45.100 0.016 0.000 0.783 751 G HN -0.134 nan 8.290 nan 0.000 0.484 752 P HA 0.079 nan 4.420 nan 0.000 0.235 752 P C 0.099 177.314 177.300 -0.142 0.000 1.177 752 P CA 0.443 63.466 63.100 -0.129 0.000 0.785 752 P CB 0.117 31.681 31.700 -0.227 0.000 0.885 753 H N -0.544 118.542 119.070 0.026 0.000 2.615 753 H HA 0.020 4.602 4.556 0.043 0.000 0.363 753 H C 0.140 175.522 175.328 0.090 0.000 1.148 753 H CA -0.529 55.560 56.048 0.069 0.000 1.401 753 H CB 0.715 30.507 29.762 0.049 0.000 1.461 753 H HN 0.207 nan 8.280 nan 0.000 0.588 754 W N 5.099 126.446 121.300 0.078 0.000 2.397 754 W HA 0.024 4.710 4.660 0.043 0.000 0.327 754 W C -2.196 174.333 176.519 0.016 0.000 1.421 754 W CA -1.611 55.733 57.345 -0.002 0.000 1.288 754 W CB 0.534 29.965 29.460 -0.047 0.000 1.312 754 W HN 0.521 nan 8.180 nan 0.000 0.559 755 P HA -0.135 nan 4.420 nan 0.000 0.220 755 P C -0.017 176.949 177.300 -0.558 0.000 1.152 755 P CA 1.152 63.937 63.100 -0.524 0.000 0.812 755 P CB 0.081 31.456 31.700 -0.542 0.000 0.792 756 D N -1.308 118.452 120.400 -1.066 0.000 2.735 756 D HA -0.165 4.501 4.640 0.043 0.000 0.235 756 D C -0.518 175.690 176.300 -0.152 0.000 1.175 756 D CA 0.172 53.929 54.000 -0.405 0.000 0.683 756 D CB -1.187 39.676 40.800 0.105 0.000 1.008 756 D HN 0.002 nan 8.370 nan 0.000 0.416 757 L N 1.586 122.668 121.223 -0.235 0.000 2.455 757 L HA 0.203 4.569 4.340 0.043 0.000 0.272 757 L C 0.244 177.242 176.870 0.213 0.000 1.174 757 L CA 0.475 55.255 54.840 -0.100 0.000 0.869 757 L CB 0.863 42.729 42.059 -0.322 0.000 1.130 757 L HN 0.082 nan 8.230 nan 0.000 0.474 758 Q N 4.087 124.047 119.800 0.268 0.000 2.230 758 Q HA 0.598 4.964 4.340 0.043 0.000 0.253 758 Q C -0.553 175.694 176.000 0.411 0.000 0.919 758 Q CA -0.496 55.538 55.803 0.385 0.000 0.908 758 Q CB 1.664 30.536 28.738 0.223 0.000 1.245 758 Q HN 0.802 nan 8.270 nan 0.000 0.437 759 A N 4.032 126.990 122.820 0.230 0.000 2.301 759 A HA 0.605 4.951 4.320 0.043 0.000 0.298 759 A C -2.154 175.356 177.584 -0.122 0.000 1.185 759 A CA -1.377 50.560 52.037 -0.167 0.000 0.830 759 A CB 0.176 18.735 19.000 -0.734 0.000 1.112 759 A HN 0.400 nan 8.150 nan 0.000 0.508 760 P HA 0.286 nan 4.420 nan 0.000 0.278 760 P C -0.248 177.074 177.300 0.037 0.000 1.238 760 P CA -0.157 62.858 63.100 -0.142 0.000 0.794 760 P CB 1.341 32.952 31.700 -0.148 0.000 0.955 761 A N 2.605 125.512 122.820 0.145 0.000 3.063 761 A HA 0.280 4.626 4.320 0.043 0.000 0.263 761 A C 1.021 178.611 177.584 0.010 0.000 1.736 761 A CA -0.175 51.939 52.037 0.129 0.000 1.408 761 A CB -1.598 17.479 19.000 0.128 0.000 1.108 761 A HN 0.616 nan 8.150 nan 0.000 0.621 762 T N -1.553 112.994 114.554 -0.011 0.000 2.802 762 T HA 0.236 4.612 4.350 0.043 0.000 0.305 762 T C -1.473 173.205 174.700 -0.037 0.000 1.053 762 T CA -0.972 61.105 62.100 -0.039 0.000 1.058 762 T CB 0.299 69.141 68.868 -0.044 0.000 0.988 762 T HN 0.169 nan 8.240 nan 0.000 0.539 763 P HA -0.167 nan 4.420 nan 0.000 0.218 763 P C 1.496 178.776 177.300 -0.035 0.000 1.154 763 P CA 1.484 64.560 63.100 -0.040 0.000 0.872 763 P CB 0.032 31.709 31.700 -0.038 0.000 0.790 764 E N -0.768 119.414 120.200 -0.029 0.000 2.077 764 E HA -0.195 4.180 4.350 0.043 0.000 0.193 764 E C 1.931 178.520 176.600 -0.019 0.000 0.989 764 E CA 1.283 57.670 56.400 -0.021 0.000 0.800 764 E CB -0.501 29.189 29.700 -0.015 0.000 0.746 764 E HN 0.091 nan 8.360 nan 0.000 0.452 765 A N 0.202 123.014 122.820 -0.013 0.000 1.929 765 A HA -0.085 4.261 4.320 0.043 0.000 0.216 765 A C 2.337 179.901 177.584 -0.032 0.000 1.176 765 A CA 1.117 53.152 52.037 -0.003 0.000 0.628 765 A CB -0.362 18.655 19.000 0.028 0.000 0.816 765 A HN 0.217 nan 8.150 nan 0.000 0.444 766 V N -0.397 119.487 119.914 -0.050 0.000 2.358 766 V HA -0.196 3.950 4.120 0.043 0.000 0.246 766 V C 2.459 178.507 176.094 -0.077 0.000 1.047 766 V CA 1.806 64.057 62.300 -0.082 0.000 1.035 766 V CB -0.699 31.075 31.823 -0.082 0.000 0.658 766 V HN 0.571 nan 8.190 nan 0.000 0.452 767 L N 0.741 121.931 121.223 -0.056 0.000 2.083 767 L HA -0.109 4.257 4.340 0.043 0.000 0.209 767 L C 2.457 179.296 176.870 -0.052 0.000 1.083 767 L CA 2.259 57.069 54.840 -0.050 0.000 0.752 767 L CB -0.815 41.222 42.059 -0.037 0.000 0.899 767 L HN 0.237 nan 8.230 nan 0.000 0.433 768 A N -0.476 122.317 122.820 -0.045 0.000 1.865 768 A HA -0.169 4.177 4.320 0.043 0.000 0.217 768 A C 2.445 179.989 177.584 -0.066 0.000 1.191 768 A CA 2.002 54.014 52.037 -0.042 0.000 0.623 768 A CB -1.278 17.708 19.000 -0.022 0.000 0.826 768 A HN 0.548 nan 8.150 nan 0.000 0.444 769 A N -0.834 121.931 122.820 -0.091 0.000 1.972 769 A HA 0.063 4.409 4.320 0.043 0.000 0.219 769 A C 2.222 179.716 177.584 -0.150 0.000 1.169 769 A CA 1.648 53.598 52.037 -0.145 0.000 0.635 769 A CB -0.810 18.072 19.000 -0.196 0.000 0.810 769 A HN 0.363 nan 8.150 nan 0.000 0.446 770 V N 0.248 120.090 119.914 -0.121 0.000 2.261 770 V HA -0.261 3.884 4.120 0.043 0.000 0.246 770 V C 2.638 178.685 176.094 -0.078 0.000 1.047 770 V CA 2.188 64.427 62.300 -0.102 0.000 1.015 770 V CB -0.738 31.037 31.823 -0.080 0.000 0.642 770 V HN 0.531 nan 8.190 nan 0.000 0.446 771 R N -0.403 120.056 120.500 -0.068 0.000 2.152 771 R HA -0.108 4.258 4.340 0.043 0.000 0.232 771 R C 2.465 178.721 176.300 -0.073 0.000 1.117 771 R CA 1.115 57.180 56.100 -0.059 0.000 0.981 771 R CB -0.347 29.922 30.300 -0.050 0.000 0.870 771 R HN 0.518 nan 8.270 nan 0.000 0.451 772 R N 0.438 120.889 120.500 -0.082 0.000 2.062 772 R HA -0.043 4.323 4.340 0.043 0.000 0.231 772 R C 2.394 178.651 176.300 -0.072 0.000 1.136 772 R CA 1.370 57.415 56.100 -0.092 0.000 0.948 772 R CB -0.427 29.825 30.300 -0.080 0.000 0.845 772 R HN 0.164 nan 8.270 nan 0.000 0.430 773 A N 1.418 124.212 122.820 -0.044 0.000 1.940 773 A HA -0.213 4.132 4.320 0.043 0.000 0.219 773 A C 1.839 179.489 177.584 0.109 0.000 1.176 773 A CA 1.558 53.616 52.037 0.036 0.000 0.631 773 A CB -0.368 18.594 19.000 -0.064 0.000 0.814 773 A HN 0.360 nan 8.150 nan 0.000 0.446 774 E N -1.591 118.622 120.200 0.023 0.000 2.274 774 E HA 0.181 4.557 4.350 0.043 0.000 0.194 774 E C 1.022 177.630 176.600 0.013 0.000 0.996 774 E CA 0.267 56.686 56.400 0.032 0.000 0.840 774 E CB -0.199 29.495 29.700 -0.011 0.000 0.772 774 E HN 0.774 nan 8.360 nan 0.000 0.491 775 G N 2.186 110.915 108.800 -0.119 0.000 2.298 775 G HA2 -0.310 3.676 3.960 0.043 0.000 0.287 775 G HA3 -0.310 3.676 3.960 0.043 0.000 0.287 775 G C -0.248 174.573 174.900 -0.132 0.000 1.075 775 G CA -0.022 44.908 45.100 -0.283 0.000 0.960 775 G HN 0.122 nan 8.290 nan 0.000 0.502 776 R N 0.215 120.659 120.500 -0.094 0.000 2.332 776 R HA 0.621 4.986 4.340 0.043 0.000 0.306 776 R C 1.029 177.295 176.300 -0.057 0.000 1.117 776 R CA 0.096 56.160 56.100 -0.060 0.000 1.108 776 R CB 0.782 31.057 30.300 -0.042 0.000 1.126 776 R HN 1.670 nan 8.270 nan 0.000 0.548 777 A N 0.000 122.786 122.820 -0.056 0.000 2.254 777 A HA 0.000 4.346 4.320 0.043 0.000 0.244 777 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 777 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486