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 2w54_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 0.000 174.488 174.600 -0.186 0.000 1.055 2 S CA 0.000 58.112 58.200 -0.146 0.000 1.107 2 S CB 0.000 63.128 63.200 -0.120 0.000 0.593 3 V N 2.956 122.689 119.914 -0.302 0.000 2.557 3 V HA 0.384 4.529 4.120 0.041 0.000 0.301 3 V C 1.537 177.483 176.094 -0.247 0.000 1.026 3 V CA 1.866 63.949 62.300 -0.361 0.000 1.137 3 V CB 0.117 31.474 31.823 -0.777 0.000 0.917 3 V HN 0.901 nan 8.190 nan 0.000 0.484 4 G N 3.982 112.685 108.800 -0.161 0.000 2.195 4 G HA2 -0.189 3.796 3.960 0.041 0.000 0.224 4 G HA3 -0.189 3.796 3.960 0.041 0.000 0.224 4 G C 0.246 175.100 174.900 -0.076 0.000 0.990 4 G CA -0.148 44.890 45.100 -0.103 0.000 0.639 4 G HN 0.566 nan 8.290 nan 0.000 0.514 5 K N 1.497 121.848 120.400 -0.081 0.000 2.218 5 K HA 0.375 4.720 4.320 0.041 0.000 0.276 5 K C -2.255 174.318 176.600 -0.044 0.000 1.022 5 K CA -1.459 54.793 56.287 -0.058 0.000 0.946 5 K CB 1.695 34.159 32.500 -0.060 0.000 1.000 5 K HN 0.015 nan 8.250 nan 0.000 0.468 6 P HA 0.099 nan 4.420 nan 0.000 0.230 6 P C -0.540 176.752 177.300 -0.014 0.000 1.791 6 P CA 0.061 63.150 63.100 -0.019 0.000 1.020 6 P CB -0.098 31.593 31.700 -0.015 0.000 1.977 7 L N 2.991 124.202 121.223 -0.020 0.000 2.439 7 L HA 0.416 4.781 4.340 0.041 0.000 0.261 7 L C -1.510 175.361 176.870 0.002 0.000 1.153 7 L CA -2.136 52.695 54.840 -0.015 0.000 0.808 7 L CB 0.260 42.301 42.059 -0.030 0.000 1.126 7 L HN 0.077 nan 8.230 nan 0.000 0.460 8 P HA 0.065 nan 4.420 nan 0.000 0.278 8 P C -0.698 176.636 177.300 0.058 0.000 1.258 8 P CA -0.440 62.687 63.100 0.045 0.000 0.811 8 P CB 0.493 32.218 31.700 0.041 0.000 1.063 9 H N 1.639 120.716 119.070 0.011 0.000 3.016 9 H HA -0.091 4.489 4.556 0.039 0.000 0.345 9 H C 1.254 176.567 175.328 -0.026 0.000 1.066 9 H CA 1.148 57.204 56.048 0.014 0.000 1.390 9 H CB 0.643 30.438 29.762 0.054 0.000 1.344 9 H HN 0.562 nan 8.280 nan 0.000 0.605 10 D N 1.673 121.822 120.400 -0.418 0.000 2.218 10 D HA -0.118 4.547 4.640 0.041 0.000 0.204 10 D C 0.263 176.529 176.300 -0.058 0.000 0.976 10 D CA 0.928 54.818 54.000 -0.183 0.000 0.853 10 D CB 0.158 40.856 40.800 -0.171 0.000 0.939 10 D HN 0.279 nan 8.370 nan 0.000 0.481 11 S N -0.247 115.487 115.700 0.057 0.000 2.754 11 S HA 0.477 4.972 4.470 0.041 0.000 0.247 11 S C 1.458 175.753 174.600 -0.508 0.000 1.031 11 S CA -0.023 58.057 58.200 -0.200 0.000 1.014 11 S CB 1.086 64.149 63.200 -0.229 0.000 0.918 11 S HN 0.442 nan 8.310 nan 0.000 0.519 12 A N 2.643 125.351 122.820 -0.187 0.000 1.892 12 A HA -0.194 4.151 4.320 0.041 0.000 0.218 12 A C 2.086 179.636 177.584 -0.055 0.000 1.188 12 A CA 1.769 53.743 52.037 -0.103 0.000 0.631 12 A CB -0.453 18.577 19.000 0.049 0.000 0.822 12 A HN 0.470 nan 8.150 nan 0.000 0.447 13 R N -0.735 119.739 120.500 -0.043 0.000 2.073 13 R HA -0.008 4.357 4.340 0.041 0.000 0.229 13 R C 2.351 178.652 176.300 0.002 0.000 1.120 13 R CA 1.267 57.364 56.100 -0.005 0.000 0.967 13 R CB -0.399 29.898 30.300 -0.005 0.000 0.862 13 R HN 0.442 nan 8.270 nan 0.000 0.436 14 A N 0.227 123.023 122.820 -0.040 0.000 1.940 14 A HA -0.205 4.140 4.320 0.041 0.000 0.219 14 A C 1.741 179.383 177.584 0.096 0.000 1.176 14 A CA 1.643 53.678 52.037 -0.003 0.000 0.631 14 A CB -0.827 18.148 19.000 -0.042 0.000 0.814 14 A HN 0.567 nan 8.150 nan 0.000 0.446 15 H N -1.700 117.403 119.070 0.056 0.000 2.270 15 H HA -0.088 4.491 4.556 0.039 0.000 0.299 15 H C 2.111 177.479 175.328 0.066 0.000 1.077 15 H CA 1.099 57.191 56.048 0.073 0.000 1.294 15 H CB -0.109 29.682 29.762 0.049 0.000 1.371 15 H HN 0.262 nan 8.280 nan 0.000 0.491 16 V N 1.083 121.114 119.914 0.195 0.000 2.568 16 V HA -0.219 3.926 4.120 0.041 0.000 0.253 16 V C 2.366 178.513 176.094 0.088 0.000 1.072 16 V CA 2.244 64.616 62.300 0.120 0.000 1.084 16 V CB -0.431 31.446 31.823 0.091 0.000 0.676 16 V HN 0.716 nan 8.190 nan 0.000 0.469 17 T N -3.989 110.614 114.554 0.083 0.000 3.057 17 T HA 0.293 4.668 4.350 0.041 0.000 0.254 17 T C 1.546 176.287 174.700 0.068 0.000 1.094 17 T CA 0.863 63.000 62.100 0.061 0.000 1.088 17 T CB 0.698 69.592 68.868 0.044 0.000 0.934 17 T HN 0.899 nan 8.240 nan 0.000 0.497 18 G N 1.355 110.212 108.800 0.096 0.000 2.157 18 G HA2 -0.281 3.704 3.960 0.041 0.000 0.248 18 G HA3 -0.281 3.704 3.960 0.041 0.000 0.248 18 G C 0.644 175.600 174.900 0.092 0.000 0.979 18 G CA 0.337 45.498 45.100 0.102 0.000 0.650 18 G HN 0.559 nan 8.290 nan 0.000 0.529 19 Q N -0.088 119.756 119.800 0.074 0.000 2.424 19 Q HA 0.507 4.872 4.340 0.041 0.000 0.204 19 Q C 1.624 177.640 176.000 0.026 0.000 0.933 19 Q CA 0.538 56.366 55.803 0.042 0.000 0.929 19 Q CB 0.383 29.135 28.738 0.023 0.000 1.037 19 Q HN 0.861 nan 8.270 nan 0.000 0.511 20 A N 1.662 124.515 122.820 0.055 0.000 2.491 20 A HA 0.153 4.498 4.320 0.041 0.000 0.261 20 A C -0.317 177.174 177.584 -0.155 0.000 1.101 20 A CA -0.038 51.978 52.037 -0.034 0.000 0.772 20 A CB 0.115 19.169 19.000 0.089 0.000 1.043 20 A HN 0.204 nan 8.150 nan 0.000 0.501 21 R N 1.661 122.027 120.500 -0.223 0.000 2.340 21 R HA 0.443 4.808 4.340 0.041 0.000 0.300 21 R C -1.108 174.943 176.300 -0.414 0.000 1.069 21 R CA 0.180 56.167 56.100 -0.189 0.000 0.984 21 R CB 0.620 30.851 30.300 -0.115 0.000 1.003 21 R HN 0.773 nan 8.270 nan 0.000 0.459 22 Y N 0.755 121.053 120.300 -0.004 0.000 2.654 22 Y HA 0.157 4.733 4.550 0.044 0.000 0.327 22 Y C 1.308 177.188 175.900 -0.035 0.000 1.122 22 Y CA -0.831 57.259 58.100 -0.017 0.000 1.227 22 Y CB 0.616 39.062 38.460 -0.024 0.000 1.370 22 Y HN 0.407 nan 8.280 nan 0.000 0.528 23 L N 0.579 121.876 121.223 0.124 0.000 1.989 23 L HA -0.229 4.136 4.340 0.041 0.000 0.211 23 L C 1.612 178.492 176.870 0.017 0.000 1.071 23 L CA 2.322 57.183 54.840 0.035 0.000 0.749 23 L CB -0.304 41.766 42.059 0.017 0.000 0.890 23 L HN 0.833 nan 8.230 nan 0.000 0.431 24 D N -0.958 119.456 120.400 0.024 0.000 2.350 24 D HA -0.177 4.488 4.640 0.041 0.000 0.216 24 D C 1.425 177.736 176.300 0.019 0.000 0.968 24 D CA 0.923 54.926 54.000 0.005 0.000 0.894 24 D CB 0.058 40.842 40.800 -0.026 0.000 0.909 24 D HN 0.472 nan 8.370 nan 0.000 0.520 25 D N -0.462 119.964 120.400 0.044 0.000 2.213 25 D HA 0.009 4.674 4.640 0.041 0.000 0.205 25 D C 0.543 176.845 176.300 0.002 0.000 0.961 25 D CA 0.119 54.142 54.000 0.039 0.000 0.853 25 D CB -0.093 40.756 40.800 0.082 0.000 0.967 25 D HN 0.288 nan 8.370 nan 0.000 0.496 26 L N 3.500 124.708 121.223 -0.026 0.000 2.559 26 L HA 0.093 4.458 4.340 0.041 0.000 0.274 26 L C -1.825 175.014 176.870 -0.051 0.000 1.205 26 L CA -1.136 53.663 54.840 -0.068 0.000 0.907 26 L CB -0.396 41.581 42.059 -0.138 0.000 1.153 26 L HN -0.100 nan 8.230 nan 0.000 0.490 27 P HA 0.179 nan 4.420 nan 0.000 0.275 27 P C -0.869 176.409 177.300 -0.036 0.000 1.227 27 P CA -0.478 62.605 63.100 -0.028 0.000 0.781 27 P CB 1.004 32.689 31.700 -0.025 0.000 0.906 28 C N 1.325 120.614 119.300 -0.017 0.000 3.291 28 C HA 0.682 5.167 4.460 0.041 0.000 0.316 28 C C -2.697 172.291 174.990 -0.004 0.000 1.391 28 C CA -2.411 56.596 59.018 -0.019 0.000 1.394 28 C CB 0.080 27.802 27.740 -0.029 0.000 1.744 28 C HN 0.350 nan 8.230 nan 0.000 0.461 29 P HA 0.247 nan 4.420 nan 0.000 0.266 29 P C 0.888 178.196 177.300 0.013 0.000 1.186 29 P CA 0.657 63.759 63.100 0.003 0.000 0.767 29 P CB 0.386 32.085 31.700 -0.000 0.000 0.820 30 A N 3.204 126.036 122.820 0.019 0.000 1.986 30 A HA -0.235 4.109 4.320 0.041 0.000 0.220 30 A C 1.564 179.172 177.584 0.039 0.000 1.171 30 A CA 2.023 54.079 52.037 0.031 0.000 0.640 30 A CB -1.012 18.004 19.000 0.025 0.000 0.811 30 A HN 0.756 nan 8.150 nan 0.000 0.451 31 N N -0.429 118.286 118.700 0.025 0.000 2.322 31 N HA 0.005 4.770 4.740 0.041 0.000 0.194 31 N C -0.389 175.127 175.510 0.010 0.000 1.126 31 N CA 0.590 53.656 53.050 0.026 0.000 0.845 31 N CB -1.072 37.427 38.487 0.020 0.000 0.976 31 N HN 0.143 nan 8.380 nan 0.000 0.475 32 T N 2.257 116.803 114.554 -0.012 0.000 2.831 32 T HA 0.097 4.472 4.350 0.041 0.000 0.291 32 T C 0.592 175.183 174.700 -0.183 0.000 0.981 32 T CA -0.041 61.998 62.100 -0.102 0.000 1.174 32 T CB 0.444 69.227 68.868 -0.143 0.000 0.929 32 T HN 0.154 nan 8.240 nan 0.000 0.532 33 L N 3.980 125.100 121.223 -0.171 0.000 2.439 33 L HA 0.413 4.778 4.340 0.041 0.000 0.261 33 L C 0.753 177.426 176.870 -0.328 0.000 1.153 33 L CA -0.814 53.959 54.840 -0.112 0.000 0.808 33 L CB 0.503 42.564 42.059 0.004 0.000 1.126 33 L HN 0.619 nan 8.230 nan 0.000 0.460 34 H N 2.600 121.704 119.070 0.055 0.000 2.538 34 H HA 0.524 5.107 4.556 0.045 0.000 0.353 34 H C -0.888 174.468 175.328 0.047 0.000 1.109 34 H CA -0.638 55.449 56.048 0.065 0.000 1.192 34 H CB 2.169 31.994 29.762 0.105 0.000 1.555 34 H HN 0.328 nan 8.280 nan 0.000 0.518 35 L N 1.595 122.885 121.223 0.112 0.000 2.334 35 L HA 0.803 5.168 4.340 0.041 0.000 0.273 35 L C -0.002 176.843 176.870 -0.042 0.000 1.013 35 L CA -1.002 53.846 54.840 0.013 0.000 0.816 35 L CB 1.868 43.880 42.059 -0.077 0.000 1.278 35 L HN 0.582 nan 8.230 nan 0.000 0.431 36 A N 1.830 124.601 122.820 -0.083 0.000 2.520 36 A HA 0.734 5.079 4.320 0.041 0.000 0.298 36 A C -1.310 176.211 177.584 -0.106 0.000 1.051 36 A CA -0.434 51.539 52.037 -0.107 0.000 0.690 36 A CB 1.111 20.064 19.000 -0.078 0.000 1.281 36 A HN 0.546 nan 8.150 nan 0.000 0.402 37 F N 0.965 120.909 119.950 -0.011 0.000 2.375 37 F HA 0.500 5.053 4.527 0.044 0.000 0.333 37 F C 1.371 176.939 175.800 -0.387 0.000 1.104 37 F CA -0.155 57.755 58.000 -0.150 0.000 1.149 37 F CB 1.709 40.665 39.000 -0.073 0.000 1.190 37 F HN 0.678 nan 8.300 nan 0.000 0.533 38 G N 4.479 112.886 108.800 -0.655 0.000 2.329 38 G HA2 0.533 4.518 3.960 0.041 0.000 0.309 38 G HA3 0.533 4.518 3.960 0.041 0.000 0.309 38 G C -0.836 173.721 174.900 -0.572 0.000 1.110 38 G CA -0.556 43.869 45.100 -1.124 0.000 0.923 38 G HN 0.466 nan 8.290 nan 0.000 0.430 39 L N 1.648 122.702 121.223 -0.282 0.000 2.360 39 L HA 0.446 4.811 4.340 0.041 0.000 0.271 39 L C 1.046 177.817 176.870 -0.165 0.000 1.057 39 L CA -0.822 53.875 54.840 -0.239 0.000 0.803 39 L CB 1.746 43.670 42.059 -0.225 0.000 1.207 39 L HN 0.530 nan 8.230 nan 0.000 0.445 40 S N -0.181 115.372 115.700 -0.245 0.000 2.564 40 S HA 0.126 4.620 4.470 0.041 0.000 0.278 40 S C 0.902 175.347 174.600 -0.258 0.000 1.333 40 S CA -0.132 57.950 58.200 -0.197 0.000 1.048 40 S CB 0.780 63.783 63.200 -0.328 0.000 0.900 40 S HN 0.764 nan 8.310 nan 0.000 0.505 41 T N 0.880 115.270 114.554 -0.274 0.000 3.054 41 T HA 0.338 4.713 4.350 0.041 0.000 0.255 41 T C 0.102 174.556 174.700 -0.410 0.000 1.035 41 T CA -0.312 61.619 62.100 -0.282 0.000 0.941 41 T CB 0.060 68.841 68.868 -0.145 0.000 1.026 41 T HN 0.520 nan 8.240 nan 0.000 0.533 42 E N 0.644 120.472 120.200 -0.619 0.000 2.212 42 E HA 0.672 5.046 4.350 0.041 0.000 0.270 42 E C 0.623 177.011 176.600 -0.355 0.000 0.956 42 E CA -0.410 55.672 56.400 -0.531 0.000 0.825 42 E CB 1.946 31.193 29.700 -0.755 0.000 1.167 42 E HN 0.189 nan 8.360 nan 0.000 0.400 43 A N 1.529 124.207 122.820 -0.236 0.000 2.021 43 A HA 0.010 4.355 4.320 0.041 0.000 0.216 43 A C 0.946 178.459 177.584 -0.118 0.000 1.163 43 A CA 0.788 52.740 52.037 -0.142 0.000 0.676 43 A CB 0.368 19.314 19.000 -0.091 0.000 0.818 43 A HN 0.312 nan 8.150 nan 0.000 0.453 44 S N -1.411 114.200 115.700 -0.148 0.000 2.325 44 S HA 0.581 5.076 4.470 0.041 0.000 0.228 44 S C -0.849 173.673 174.600 -0.129 0.000 0.942 44 S CA 0.240 58.362 58.200 -0.129 0.000 1.070 44 S CB 0.073 63.238 63.200 -0.059 0.000 1.232 44 S HN 1.448 nan 8.310 nan 0.000 0.405 45 A N 2.871 125.605 122.820 -0.145 0.000 2.609 45 A HA 0.964 5.309 4.320 0.041 0.000 0.291 45 A C -0.439 177.127 177.584 -0.030 0.000 1.096 45 A CA -0.297 51.705 52.037 -0.058 0.000 0.684 45 A CB 1.119 20.109 19.000 -0.016 0.000 1.282 45 A HN 1.576 nan 8.150 nan 0.000 0.412 46 A N 0.420 123.249 122.820 0.016 0.000 2.310 46 A HA 0.681 5.026 4.320 0.041 0.000 0.299 46 A C -0.357 177.257 177.584 0.051 0.000 1.147 46 A CA -0.410 51.638 52.037 0.018 0.000 0.818 46 A CB -0.037 18.968 19.000 0.009 0.000 1.096 46 A HN 0.740 nan 8.150 nan 0.000 0.495 47 I N 3.006 123.587 120.570 0.018 0.000 2.294 47 I HA 0.105 4.300 4.170 0.041 0.000 0.295 47 I C 0.990 177.067 176.117 -0.066 0.000 1.098 47 I CA -0.166 61.105 61.300 -0.050 0.000 1.277 47 I CB 0.669 38.633 38.000 -0.061 0.000 1.434 47 I HN 0.787 nan 8.210 nan 0.000 0.498 48 T N 3.206 117.712 114.554 -0.080 0.000 2.896 48 T HA 0.063 4.437 4.350 0.041 0.000 0.263 48 T C 0.926 175.577 174.700 -0.081 0.000 1.050 48 T CA 0.579 62.642 62.100 -0.062 0.000 1.140 48 T CB 0.069 68.908 68.868 -0.048 0.000 0.877 48 T HN 0.734 nan 8.240 nan 0.000 0.457 49 G N 0.414 109.137 108.800 -0.129 0.000 2.719 49 G HA2 0.588 4.573 3.960 0.041 0.000 0.298 49 G HA3 0.588 4.573 3.960 0.041 0.000 0.298 49 G C -2.154 172.646 174.900 -0.168 0.000 1.411 49 G CA -0.666 44.359 45.100 -0.125 0.000 0.991 49 G HN 0.215 nan 8.290 nan 0.000 0.509 50 L N 1.670 122.811 121.223 -0.136 0.000 2.529 50 L HA 0.550 4.915 4.340 0.041 0.000 0.260 50 L C -1.471 175.310 176.870 -0.148 0.000 0.997 50 L CA -0.638 54.112 54.840 -0.150 0.000 0.885 50 L CB 1.864 43.852 42.059 -0.119 0.000 1.185 50 L HN 0.470 nan 8.230 nan 0.000 0.442 51 D N 4.146 124.453 120.400 -0.155 0.000 2.412 51 D HA 0.328 4.993 4.640 0.041 0.000 0.224 51 D C 0.224 176.407 176.300 -0.195 0.000 1.093 51 D CA -0.043 53.869 54.000 -0.145 0.000 0.850 51 D CB 0.966 41.701 40.800 -0.109 0.000 1.046 51 D HN 0.608 nan 8.370 nan 0.000 0.507 52 L N 3.221 124.312 121.223 -0.221 0.000 2.818 52 L HA 0.240 4.605 4.340 0.041 0.000 0.243 52 L C 1.674 178.431 176.870 -0.188 0.000 1.185 52 L CA -0.201 54.464 54.840 -0.292 0.000 0.988 52 L CB 0.195 42.026 42.059 -0.380 0.000 1.292 52 L HN 0.353 nan 8.230 nan 0.000 0.519 53 E N 1.934 122.054 120.200 -0.134 0.000 2.031 53 E HA -0.154 4.220 4.350 0.041 0.000 0.193 53 E C -0.722 175.831 176.600 -0.078 0.000 0.994 53 E CA 1.674 58.018 56.400 -0.094 0.000 0.800 53 E CB -0.666 28.990 29.700 -0.074 0.000 0.752 53 E HN 0.226 nan 8.360 nan 0.000 0.447 54 P HA -0.086 nan 4.420 nan 0.000 0.223 54 P C 1.077 178.352 177.300 -0.042 0.000 1.151 54 P CA 0.745 63.817 63.100 -0.048 0.000 0.787 54 P CB 0.150 31.827 31.700 -0.039 0.000 0.788 55 V N -0.261 119.610 119.914 -0.072 0.000 2.379 55 V HA -0.146 3.998 4.120 0.041 0.000 0.245 55 V C 2.449 178.522 176.094 -0.035 0.000 1.044 55 V CA 1.606 63.877 62.300 -0.049 0.000 1.036 55 V CB -0.864 30.883 31.823 -0.127 0.000 0.664 55 V HN 0.057 nan 8.190 nan 0.000 0.453 56 R N -0.074 120.388 120.500 -0.064 0.000 2.090 56 R HA -0.130 4.234 4.340 0.041 0.000 0.228 56 R C 2.301 178.581 176.300 -0.032 0.000 1.110 56 R CA 1.358 57.426 56.100 -0.052 0.000 0.973 56 R CB -0.175 30.082 30.300 -0.072 0.000 0.869 56 R HN 0.493 nan 8.270 nan 0.000 0.440 57 E N 0.568 120.748 120.200 -0.032 0.000 2.204 57 E HA -0.042 4.333 4.350 0.041 0.000 0.194 57 E C 0.403 176.998 176.600 -0.009 0.000 0.989 57 E CA 0.351 56.739 56.400 -0.021 0.000 0.824 57 E CB 0.103 29.790 29.700 -0.022 0.000 0.756 57 E HN 0.018 nan 8.360 nan 0.000 0.477 58 S N 1.560 117.257 115.700 -0.004 0.000 2.558 58 S HA 0.003 4.497 4.470 0.041 0.000 0.293 58 S C -2.285 172.322 174.600 0.010 0.000 1.292 58 S CA -1.447 56.758 58.200 0.007 0.000 1.063 58 S CB 0.343 63.554 63.200 0.018 0.000 0.831 58 S HN -0.044 nan 8.310 nan 0.000 0.499 59 P HA 0.150 nan 4.420 nan 0.000 0.267 59 P C 0.965 178.277 177.300 0.019 0.000 1.200 59 P CA 0.897 64.004 63.100 0.013 0.000 0.772 59 P CB 0.053 31.760 31.700 0.012 0.000 0.855 60 G N 1.013 109.825 108.800 0.021 0.000 2.189 60 G HA2 -0.243 3.742 3.960 0.041 0.000 0.267 60 G HA3 -0.243 3.742 3.960 0.041 0.000 0.267 60 G C 0.092 175.016 174.900 0.041 0.000 0.975 60 G CA 0.167 45.286 45.100 0.032 0.000 0.644 60 G HN 0.553 nan 8.290 nan 0.000 0.537 61 V N 2.323 122.257 119.914 0.033 0.000 2.508 61 V HA 0.304 4.449 4.120 0.041 0.000 0.281 61 V C 1.634 177.744 176.094 0.027 0.000 1.041 61 V CA -0.111 62.212 62.300 0.038 0.000 1.016 61 V CB 1.248 33.090 31.823 0.031 0.000 0.984 61 V HN 0.198 nan 8.190 nan 0.000 0.478 62 I N 3.072 123.666 120.570 0.039 0.000 2.810 62 I HA 0.348 4.542 4.170 0.041 0.000 0.262 62 I C 0.970 177.083 176.117 -0.006 0.000 1.131 62 I CA 0.880 62.196 61.300 0.028 0.000 1.453 62 I CB -0.206 37.825 38.000 0.052 0.000 1.161 62 I HN 0.674 nan 8.210 nan 0.000 0.444 63 A N 0.732 123.549 122.820 -0.006 0.000 2.520 63 A HA 0.709 5.053 4.320 0.041 0.000 0.298 63 A C -1.164 176.299 177.584 -0.202 0.000 1.051 63 A CA -0.352 51.588 52.037 -0.162 0.000 0.690 63 A CB 2.015 20.928 19.000 -0.145 0.000 1.281 63 A HN -0.142 nan 8.150 nan 0.000 0.402 64 V N 1.601 121.266 119.914 -0.414 0.000 2.588 64 V HA 0.647 4.792 4.120 0.041 0.000 0.304 64 V C -1.270 174.566 176.094 -0.429 0.000 1.042 64 V CA -0.305 61.861 62.300 -0.223 0.000 0.877 64 V CB 1.333 33.087 31.823 -0.115 0.000 0.996 64 V HN 0.724 nan 8.190 nan 0.000 0.425 65 F N 1.500 121.547 119.950 0.161 0.000 2.520 65 F HA 0.684 5.236 4.527 0.042 0.000 0.322 65 F C 0.599 176.512 175.800 0.188 0.000 1.103 65 F CA -0.405 57.684 58.000 0.149 0.000 0.926 65 F CB 2.414 41.505 39.000 0.150 0.000 1.154 65 F HN 0.376 nan 8.300 nan 0.000 0.453 66 T N 0.922 115.654 114.554 0.297 0.000 2.949 66 T HA 0.477 4.852 4.350 0.041 0.000 0.287 66 T C 1.098 175.923 174.700 0.208 0.000 1.034 66 T CA -0.097 62.138 62.100 0.225 0.000 1.018 66 T CB 1.797 70.737 68.868 0.121 0.000 1.135 66 T HN 0.680 nan 8.240 nan 0.000 0.532 67 A N 0.858 123.773 122.820 0.160 0.000 1.948 67 A HA -0.010 4.335 4.320 0.041 0.000 0.220 67 A C 2.405 180.053 177.584 0.107 0.000 1.177 67 A CA 2.101 54.214 52.037 0.128 0.000 0.636 67 A CB -1.203 17.862 19.000 0.109 0.000 0.815 67 A HN 0.918 nan 8.150 nan 0.000 0.449 68 A N -0.453 122.423 122.820 0.094 0.000 2.070 68 A HA -0.141 4.204 4.320 0.041 0.000 0.220 68 A C 1.525 179.158 177.584 0.082 0.000 1.159 68 A CA 1.604 53.683 52.037 0.071 0.000 0.656 68 A CB -0.382 18.648 19.000 0.051 0.000 0.800 68 A HN 0.509 nan 8.150 nan 0.000 0.453 69 D N -0.481 119.998 120.400 0.131 0.000 2.349 69 D HA 0.108 4.773 4.640 0.041 0.000 0.215 69 D C 0.128 176.536 176.300 0.181 0.000 1.016 69 D CA 0.199 54.308 54.000 0.181 0.000 0.870 69 D CB 0.036 41.014 40.800 0.296 0.000 0.917 69 D HN 0.378 nan 8.370 nan 0.000 0.524 70 L N 3.536 124.832 121.223 0.123 0.000 2.361 70 L HA 0.195 4.560 4.340 0.041 0.000 0.278 70 L C -1.902 174.980 176.870 0.020 0.000 1.113 70 L CA -1.523 53.361 54.840 0.073 0.000 0.849 70 L CB 0.445 42.546 42.059 0.070 0.000 1.155 70 L HN -0.220 nan 8.230 nan 0.000 0.452 71 P HA 0.167 nan 4.420 nan 0.000 0.276 71 P C -0.296 176.938 177.300 -0.111 0.000 1.230 71 P CA -0.017 62.977 63.100 -0.177 0.000 0.776 71 P CB 0.721 32.348 31.700 -0.122 0.000 0.888 72 H N -0.958 118.135 119.070 0.039 0.000 1.452 72 H HA -0.201 4.379 4.556 0.041 0.000 0.090 72 H C 0.175 175.527 175.328 0.039 0.000 1.168 72 H CA 1.312 57.383 56.048 0.039 0.000 1.901 72 H CB -2.031 27.757 29.762 0.043 0.000 2.257 72 H HN 0.414 nan 8.280 nan 0.000 0.961 73 D N 0.865 121.389 120.400 0.206 0.000 2.400 73 D HA 0.183 4.848 4.640 0.041 0.000 0.238 73 D C 0.598 176.946 176.300 0.079 0.000 1.157 73 D CA 0.232 54.297 54.000 0.109 0.000 0.889 73 D CB 0.222 41.074 40.800 0.087 0.000 1.199 73 D HN 0.474 nan 8.370 nan 0.000 0.436 74 N N 1.472 120.205 118.700 0.056 0.000 2.672 74 N HA 0.111 4.876 4.740 0.041 0.000 0.295 74 N C -1.975 173.554 175.510 0.033 0.000 1.924 74 N CA -0.468 52.611 53.050 0.049 0.000 0.851 74 N CB 0.176 38.703 38.487 0.067 0.000 1.281 74 N HN 0.193 nan 8.380 nan 0.000 0.494 75 D N -0.388 120.016 120.400 0.008 0.000 2.879 75 D HA 0.633 5.297 4.640 0.041 0.000 0.236 75 D C -0.551 175.726 176.300 -0.038 0.000 1.171 75 D CA -0.517 53.478 54.000 -0.009 0.000 0.868 75 D CB 1.955 42.751 40.800 -0.008 0.000 1.598 75 D HN 0.159 nan 8.370 nan 0.000 0.497 76 A N 2.304 125.082 122.820 -0.070 0.000 2.585 76 A HA 0.257 4.602 4.320 0.041 0.000 0.266 76 A C 0.595 178.188 177.584 0.014 0.000 1.178 76 A CA -0.237 51.747 52.037 -0.087 0.000 0.966 76 A CB 0.243 19.008 19.000 -0.393 0.000 1.170 76 A HN 0.338 nan 8.150 nan 0.000 0.558 77 S N 1.748 117.452 115.700 0.007 0.000 2.531 77 S HA 0.315 4.810 4.470 0.041 0.000 0.279 77 S C -1.189 173.418 174.600 0.013 0.000 1.305 77 S CA -0.950 57.249 58.200 -0.002 0.000 1.058 77 S CB 0.811 63.980 63.200 -0.052 0.000 0.899 77 S HN 0.322 nan 8.310 nan 0.000 0.493 78 P HA 0.148 nan 4.420 nan 0.000 0.241 78 P C 0.093 177.399 177.300 0.009 0.000 1.191 78 P CA 0.184 63.301 63.100 0.028 0.000 0.771 78 P CB -0.060 31.680 31.700 0.067 0.000 0.929 79 A N 1.321 124.129 122.820 -0.020 0.000 2.313 79 A HA 0.396 4.741 4.320 0.041 0.000 0.261 79 A C -1.185 176.389 177.584 -0.016 0.000 1.090 79 A CA -1.154 50.864 52.037 -0.032 0.000 0.807 79 A CB -0.497 18.454 19.000 -0.083 0.000 1.055 79 A HN -0.059 nan 8.150 nan 0.000 0.492 80 P HA -0.044 nan 4.420 nan 0.000 0.218 80 P C 0.502 177.798 177.300 -0.008 0.000 1.149 80 P CA 1.360 64.459 63.100 -0.001 0.000 0.817 80 P CB -0.090 31.613 31.700 0.005 0.000 0.785 81 S N 0.290 115.981 115.700 -0.014 0.000 2.580 81 S HA 0.339 4.834 4.470 0.041 0.000 0.274 81 S C -2.362 172.219 174.600 -0.031 0.000 1.329 81 S CA -1.356 56.837 58.200 -0.012 0.000 1.036 81 S CB -0.047 63.157 63.200 0.006 0.000 0.919 81 S HN -0.018 nan 8.310 nan 0.000 0.515 82 P HA 0.338 nan 4.420 nan 0.000 0.282 82 P C -1.038 176.229 177.300 -0.056 0.000 1.249 82 P CA -0.329 62.757 63.100 -0.023 0.000 0.806 82 P CB 0.672 32.374 31.700 0.004 0.000 0.984 83 E N 3.650 123.822 120.200 -0.046 0.000 2.283 83 E HA 0.328 4.703 4.350 0.041 0.000 0.258 83 E C -2.578 174.090 176.600 0.113 0.000 0.893 83 E CA -2.680 53.682 56.400 -0.063 0.000 0.798 83 E CB 1.962 31.549 29.700 -0.188 0.000 1.242 83 E HN 0.258 nan 8.360 nan 0.000 0.414 84 P HA -0.016 nan 4.420 nan 0.000 0.271 84 P C 0.750 178.188 177.300 0.229 0.000 1.218 84 P CA -0.235 62.998 63.100 0.221 0.000 0.780 84 P CB 1.569 33.424 31.700 0.259 0.000 0.901 85 V N 2.530 122.480 119.914 0.060 0.000 2.302 85 V HA -0.072 4.073 4.120 0.041 0.000 0.243 85 V C 1.332 177.456 176.094 0.050 0.000 1.036 85 V CA 1.406 63.692 62.300 -0.023 0.000 1.020 85 V CB -0.689 31.095 31.823 -0.065 0.000 0.657 85 V HN 0.396 nan 8.190 nan 0.000 0.453 86 L N 0.517 121.780 121.223 0.067 0.000 2.317 86 L HA 0.682 5.047 4.340 0.041 0.000 0.281 86 L C 0.325 177.249 176.870 0.092 0.000 1.024 86 L CA -0.691 54.182 54.840 0.056 0.000 0.810 86 L CB 1.359 43.489 42.059 0.119 0.000 1.240 86 L HN 0.197 nan 8.230 nan 0.000 0.427 87 A N 1.569 124.426 122.820 0.062 0.000 2.561 87 A HA 0.322 4.667 4.320 0.041 0.000 0.234 87 A C 0.446 178.094 177.584 0.107 0.000 1.055 87 A CA 0.095 52.184 52.037 0.086 0.000 0.756 87 A CB -0.154 18.860 19.000 0.023 0.000 0.986 87 A HN 0.734 nan 8.150 nan 0.000 0.505 88 T N 0.067 114.700 114.554 0.133 0.000 3.154 88 T HA 0.533 4.908 4.350 0.041 0.000 0.381 88 T C 1.036 175.794 174.700 0.098 0.000 1.368 88 T CA 0.250 62.419 62.100 0.115 0.000 1.155 88 T CB 0.378 69.322 68.868 0.127 0.000 1.120 88 T HN 2.353 nan 8.240 nan 0.000 0.570 89 G N 2.524 111.363 108.800 0.066 0.000 2.257 89 G HA2 -0.267 3.718 3.960 0.041 0.000 0.267 89 G HA3 -0.267 3.718 3.960 0.041 0.000 0.267 89 G C -0.122 174.796 174.900 0.030 0.000 0.984 89 G CA 0.689 45.815 45.100 0.043 0.000 0.626 89 G HN 1.148 nan 8.290 nan 0.000 0.540 90 E N -1.544 118.674 120.200 0.031 0.000 2.412 90 E HA 0.651 5.026 4.350 0.041 0.000 0.279 90 E C -0.562 175.966 176.600 -0.120 0.000 0.984 90 E CA -0.778 55.594 56.400 -0.046 0.000 0.788 90 E CB 2.165 31.814 29.700 -0.084 0.000 1.277 90 E HN 1.023 nan 8.360 nan 0.000 0.455 91 V N -1.070 118.699 119.914 -0.242 0.000 2.715 91 V HA 0.507 4.652 4.120 0.041 0.000 0.310 91 V C -0.206 175.593 176.094 -0.493 0.000 1.054 91 V CA -0.569 61.553 62.300 -0.297 0.000 0.928 91 V CB 1.608 33.306 31.823 -0.210 0.000 1.007 91 V HN 0.912 nan 8.190 nan 0.000 0.437 92 H N 2.986 121.954 119.070 -0.170 0.000 3.058 92 H HA 0.393 4.973 4.556 0.041 0.000 0.266 92 H C -0.324 175.024 175.328 0.034 0.000 1.135 92 H CA 0.712 56.758 56.048 -0.004 0.000 1.174 92 H CB 1.295 31.217 29.762 0.268 0.000 1.581 92 H HN 0.794 nan 8.280 nan 0.000 0.553 93 F N -1.484 118.284 119.950 -0.304 0.000 2.725 93 F HA 0.411 4.962 4.527 0.040 0.000 0.309 93 F C -1.572 174.076 175.800 -0.253 0.000 1.132 93 F CA -1.387 56.461 58.000 -0.255 0.000 0.957 93 F CB 0.747 39.591 39.000 -0.259 0.000 1.286 93 F HN -0.343 nan 8.300 nan 0.000 0.440 94 V N 3.344 123.120 119.914 -0.231 0.000 2.409 94 V HA 0.451 4.596 4.120 0.041 0.000 0.270 94 V C 0.938 176.771 176.094 -0.434 0.000 1.019 94 V CA 1.205 63.316 62.300 -0.315 0.000 1.066 94 V CB -0.225 31.527 31.823 -0.119 0.000 1.021 94 V HN 1.567 nan 8.190 nan 0.000 0.476 95 G N 3.477 111.860 108.800 -0.695 0.000 2.198 95 G HA2 -0.162 3.823 3.960 0.041 0.000 0.156 95 G HA3 -0.162 3.823 3.960 0.041 0.000 0.156 95 G C 0.096 174.425 174.900 -0.951 0.000 1.012 95 G CA -0.052 44.686 45.100 -0.605 0.000 0.692 95 G HN 0.650 nan 8.290 nan 0.000 0.492 96 Q N 1.237 120.170 119.800 -1.446 0.000 2.296 96 Q HA 0.399 4.763 4.340 0.041 0.000 0.262 96 Q C -2.358 173.312 176.000 -0.551 0.000 0.981 96 Q CA -1.716 53.443 55.803 -1.072 0.000 0.905 96 Q CB 0.944 29.035 28.738 -1.077 0.000 1.186 96 Q HN 0.130 nan 8.270 nan 0.000 0.399 97 P HA -0.042 nan 4.420 nan 0.000 0.262 97 P C -0.380 176.745 177.300 -0.292 0.000 1.199 97 P CA 0.720 63.517 63.100 -0.506 0.000 0.763 97 P CB 0.477 31.530 31.700 -1.078 0.000 0.790 98 I N 3.328 123.786 120.570 -0.187 0.000 3.039 98 I HA 0.107 4.302 4.170 0.041 0.000 0.270 98 I C 0.784 177.017 176.117 0.193 0.000 1.150 98 I CA 0.628 61.944 61.300 0.027 0.000 1.448 98 I CB 0.005 38.093 38.000 0.146 0.000 1.197 98 I HN 0.264 nan 8.210 nan 0.000 0.450 99 F N -0.132 119.874 119.950 0.094 0.000 2.675 99 F HA 0.765 5.317 4.527 0.041 0.000 0.324 99 F C -1.295 174.707 175.800 0.336 0.000 1.106 99 F CA -1.560 56.548 58.000 0.180 0.000 0.970 99 F CB 1.366 40.440 39.000 0.125 0.000 1.385 99 F HN -0.305 nan 8.300 nan 0.000 0.489 100 L N 2.251 123.816 121.223 0.570 0.000 2.381 100 L HA 0.790 5.154 4.340 0.041 0.000 0.274 100 L C -1.610 175.556 176.870 0.494 0.000 0.988 100 L CA -0.709 54.426 54.840 0.490 0.000 0.824 100 L CB 1.903 44.244 42.059 0.470 0.000 1.263 100 L HN 0.624 nan 8.230 nan 0.000 0.410 101 V N 4.448 124.560 119.914 0.329 0.000 2.435 101 V HA 0.820 4.965 4.120 0.041 0.000 0.290 101 V C 0.207 176.425 176.094 0.206 0.000 1.030 101 V CA -0.314 62.151 62.300 0.275 0.000 0.881 101 V CB 1.375 33.338 31.823 0.233 0.000 0.983 101 V HN 0.940 nan 8.190 nan 0.000 0.445 102 A N 4.197 127.147 122.820 0.216 0.000 2.328 102 A HA 0.894 5.239 4.320 0.041 0.000 0.318 102 A C 0.034 177.697 177.584 0.132 0.000 1.347 102 A CA -0.146 52.001 52.037 0.183 0.000 0.842 102 A CB 0.702 19.859 19.000 0.262 0.000 1.148 102 A HN 1.200 nan 8.150 nan 0.000 0.499 103 A N 1.475 124.371 122.820 0.127 0.000 2.387 103 A HA 0.735 5.080 4.320 0.041 0.000 0.303 103 A C 1.162 178.840 177.584 0.156 0.000 1.145 103 A CA 0.197 52.302 52.037 0.113 0.000 0.801 103 A CB 0.427 19.479 19.000 0.085 0.000 1.342 103 A HN 1.286 nan 8.150 nan 0.000 0.440 104 T N -1.363 113.268 114.554 0.127 0.000 3.072 104 T HA 0.177 4.552 4.350 0.041 0.000 0.266 104 T C 0.666 175.478 174.700 0.185 0.000 1.127 104 T CA 1.037 63.231 62.100 0.157 0.000 1.107 104 T CB -0.746 68.177 68.868 0.091 0.000 0.910 104 T HN 1.534 nan 8.240 nan 0.000 0.513 105 S N -0.767 114.990 115.700 0.095 0.000 2.556 105 S HA 0.362 4.856 4.470 0.041 0.000 0.271 105 S C 0.466 175.016 174.600 -0.083 0.000 1.135 105 S CA -0.870 57.259 58.200 -0.117 0.000 0.858 105 S CB 1.445 64.595 63.200 -0.084 0.000 1.114 105 S HN 0.232 nan 8.310 nan 0.000 0.468 106 H N 1.991 120.859 119.070 -0.336 0.000 2.319 106 H HA -0.083 4.498 4.556 0.042 0.000 0.297 106 H C 1.763 177.070 175.328 -0.034 0.000 1.097 106 H CA 1.959 57.946 56.048 -0.102 0.000 1.285 106 H CB 0.016 29.710 29.762 -0.114 0.000 1.368 106 H HN 0.538 nan 8.280 nan 0.000 0.495 107 R N 0.359 120.838 120.500 -0.035 0.000 2.080 107 R HA -0.098 4.267 4.340 0.041 0.000 0.236 107 R C 2.554 178.818 176.300 -0.060 0.000 1.137 107 R CA 1.116 57.186 56.100 -0.050 0.000 0.943 107 R CB -0.920 29.382 30.300 0.003 0.000 0.846 107 R HN 0.412 nan 8.270 nan 0.000 0.431 108 A N 0.985 123.787 122.820 -0.031 0.000 1.940 108 A HA -0.141 4.204 4.320 0.041 0.000 0.219 108 A C 2.368 179.950 177.584 -0.003 0.000 1.176 108 A CA 2.008 54.042 52.037 -0.006 0.000 0.631 108 A CB -0.530 18.479 19.000 0.014 0.000 0.814 108 A HN 0.413 nan 8.150 nan 0.000 0.446 109 A N -0.548 122.261 122.820 -0.018 0.000 1.897 109 A HA -0.101 4.244 4.320 0.041 0.000 0.215 109 A C 2.253 179.817 177.584 -0.033 0.000 1.181 109 A CA 1.251 53.287 52.037 -0.003 0.000 0.620 109 A CB -0.416 18.587 19.000 0.006 0.000 0.821 109 A HN 0.501 nan 8.150 nan 0.000 0.443 110 R N -0.657 119.770 120.500 -0.121 0.000 2.092 110 R HA -0.017 4.348 4.340 0.041 0.000 0.231 110 R C 1.957 178.239 176.300 -0.029 0.000 1.119 110 R CA 1.382 57.419 56.100 -0.106 0.000 0.970 110 R CB -0.495 29.695 30.300 -0.183 0.000 0.864 110 R HN 0.571 nan 8.270 nan 0.000 0.440 111 I N 0.611 121.170 120.570 -0.019 0.000 2.226 111 I HA -0.244 3.951 4.170 0.041 0.000 0.245 111 I C 2.536 178.675 176.117 0.037 0.000 1.100 111 I CA 1.320 62.626 61.300 0.010 0.000 1.374 111 I CB -0.300 37.704 38.000 0.007 0.000 1.057 111 I HN 0.133 nan 8.210 nan 0.000 0.413 112 A N 0.412 123.261 122.820 0.048 0.000 2.015 112 A HA -0.051 4.294 4.320 0.041 0.000 0.219 112 A C 2.484 180.164 177.584 0.161 0.000 1.163 112 A CA 1.453 53.541 52.037 0.085 0.000 0.646 112 A CB -0.670 18.380 19.000 0.084 0.000 0.806 112 A HN 0.420 nan 8.150 nan 0.000 0.448 113 A N 0.131 123.041 122.820 0.151 0.000 1.972 113 A HA -0.135 4.209 4.320 0.041 0.000 0.219 113 A C 2.155 179.874 177.584 0.225 0.000 1.169 113 A CA 1.407 53.562 52.037 0.197 0.000 0.635 113 A CB -0.359 18.657 19.000 0.027 0.000 0.810 113 A HN 0.548 nan 8.150 nan 0.000 0.446 114 R N -0.487 120.091 120.500 0.130 0.000 2.299 114 R HA 0.083 4.447 4.340 0.041 0.000 0.197 114 R C 1.190 177.558 176.300 0.115 0.000 0.971 114 R CA 0.621 56.786 56.100 0.108 0.000 1.030 114 R CB -0.025 30.308 30.300 0.056 0.000 0.932 114 R HN 0.399 nan 8.270 nan 0.000 0.477 115 K N 0.822 121.293 120.400 0.118 0.000 2.487 115 K HA 0.148 4.493 4.320 0.041 0.000 0.192 115 K C 0.462 177.085 176.600 0.037 0.000 1.027 115 K CA -0.121 56.205 56.287 0.064 0.000 1.054 115 K CB 0.510 33.035 32.500 0.042 0.000 0.824 115 K HN 0.086 nan 8.250 nan 0.000 0.510 116 A N 1.646 124.511 122.820 0.077 0.000 2.366 116 A HA 0.211 4.556 4.320 0.041 0.000 0.249 116 A C -0.110 177.462 177.584 -0.020 0.000 1.084 116 A CA -0.111 51.908 52.037 -0.029 0.000 0.794 116 A CB 0.359 19.352 19.000 -0.012 0.000 1.034 116 A HN 0.227 nan 8.150 nan 0.000 0.491 117 R N 0.967 121.420 120.500 -0.078 0.000 2.352 117 R HA 0.405 4.770 4.340 0.041 0.000 0.304 117 R C -1.492 174.736 176.300 -0.119 0.000 1.104 117 R CA -0.029 56.029 56.100 -0.070 0.000 0.991 117 R CB 0.752 31.011 30.300 -0.067 0.000 1.140 117 R HN 0.677 nan 8.270 nan 0.000 0.540 118 I N 2.025 122.510 120.570 -0.141 0.000 2.378 118 I HA 0.249 4.444 4.170 0.041 0.000 0.291 118 I C 0.598 176.441 176.117 -0.458 0.000 0.992 118 I CA -0.763 60.343 61.300 -0.323 0.000 1.154 118 I CB 2.064 39.830 38.000 -0.391 0.000 1.315 118 I HN 0.369 nan 8.210 nan 0.000 0.448 119 T N 2.335 116.634 114.554 -0.424 0.000 2.795 119 T HA 0.604 4.978 4.350 0.041 0.000 0.282 119 T C -0.795 173.670 174.700 -0.393 0.000 0.980 119 T CA -0.565 61.352 62.100 -0.306 0.000 1.012 119 T CB 0.663 69.448 68.868 -0.139 0.000 0.936 119 T HN 0.296 nan 8.240 nan 0.000 0.457 120 Y N 0.945 121.227 120.300 -0.030 0.000 2.468 120 Y HA 0.619 5.194 4.550 0.041 0.000 0.342 120 Y C 0.353 176.233 175.900 -0.035 0.000 1.021 120 Y CA -1.468 56.608 58.100 -0.039 0.000 1.079 120 Y CB 1.961 40.390 38.460 -0.051 0.000 1.226 120 Y HN 0.935 nan 8.280 nan 0.000 0.460 121 A N 4.289 127.183 122.820 0.123 0.000 2.540 121 A HA 0.572 4.916 4.320 0.041 0.000 0.340 121 A C -2.845 174.766 177.584 0.045 0.000 1.424 121 A CA -1.800 50.273 52.037 0.061 0.000 0.940 121 A CB -0.432 18.586 19.000 0.029 0.000 1.149 121 A HN 0.399 nan 8.150 nan 0.000 0.505 122 P HA 0.362 nan 4.420 nan 0.000 0.271 122 P C -0.188 177.101 177.300 -0.018 0.000 1.216 122 P CA -0.003 63.088 63.100 -0.015 0.000 0.776 122 P CB 0.732 32.413 31.700 -0.032 0.000 0.881 123 R N 2.943 123.424 120.500 -0.033 0.000 2.856 123 R HA 0.551 4.916 4.340 0.041 0.000 0.258 123 R C -2.126 174.157 176.300 -0.028 0.000 1.066 123 R CA -2.077 54.009 56.100 -0.024 0.000 1.045 123 R CB -0.002 30.285 30.300 -0.022 0.000 1.178 123 R HN 0.380 nan 8.270 nan 0.000 0.499 124 P HA 0.034 nan 4.420 nan 0.000 0.264 124 P C -1.082 176.205 177.300 -0.021 0.000 1.193 124 P CA 0.036 63.126 63.100 -0.018 0.000 0.763 124 P CB 0.762 32.456 31.700 -0.010 0.000 0.810 125 A N 3.860 126.663 122.820 -0.028 0.000 2.293 125 A HA 0.546 4.890 4.320 0.041 0.000 0.302 125 A C 0.240 177.809 177.584 -0.025 0.000 1.119 125 A CA -0.757 51.263 52.037 -0.028 0.000 0.823 125 A CB 0.152 19.125 19.000 -0.045 0.000 1.097 125 A HN 0.519 nan 8.150 nan 0.000 0.491 126 I N 2.732 123.287 120.570 -0.024 0.000 2.479 126 I HA 0.178 4.372 4.170 0.041 0.000 0.279 126 I C 0.378 176.458 176.117 -0.061 0.000 1.102 126 I CA 0.178 61.458 61.300 -0.034 0.000 1.196 126 I CB 0.265 38.247 38.000 -0.029 0.000 1.427 126 I HN 0.617 nan 8.210 nan 0.000 0.503 127 L N 2.169 123.350 121.223 -0.071 0.000 2.221 127 L HA 0.114 4.479 4.340 0.041 0.000 0.202 127 L C 1.384 178.174 176.870 -0.134 0.000 1.074 127 L CA 0.604 55.372 54.840 -0.120 0.000 0.795 127 L CB -0.205 41.800 42.059 -0.091 0.000 0.960 127 L HN 0.611 nan 8.230 nan 0.000 0.458 128 T N -3.313 111.196 114.554 -0.076 0.000 2.943 128 T HA 0.309 4.683 4.350 0.041 0.000 0.284 128 T C 0.917 175.581 174.700 -0.059 0.000 1.015 128 T CA -0.674 61.391 62.100 -0.059 0.000 1.042 128 T CB 2.120 70.977 68.868 -0.019 0.000 1.055 128 T HN -0.180 nan 8.240 nan 0.000 0.500 129 L N 1.249 122.441 121.223 -0.052 0.000 2.012 129 L HA -0.014 4.351 4.340 0.041 0.000 0.210 129 L C 2.141 178.981 176.870 -0.050 0.000 1.073 129 L CA 1.928 56.736 54.840 -0.054 0.000 0.748 129 L CB -1.068 40.964 42.059 -0.045 0.000 0.891 129 L HN 0.780 nan 8.230 nan 0.000 0.431 130 D N -1.624 118.754 120.400 -0.036 0.000 2.178 130 D HA -0.191 4.473 4.640 0.041 0.000 0.201 130 D C 2.228 178.508 176.300 -0.034 0.000 0.980 130 D CA 0.849 54.828 54.000 -0.034 0.000 0.842 130 D CB -0.068 40.721 40.800 -0.019 0.000 0.948 130 D HN 0.425 nan 8.370 nan 0.000 0.472 131 Q N 0.180 119.961 119.800 -0.031 0.000 2.016 131 Q HA -0.067 4.297 4.340 0.041 0.000 0.200 131 Q C 2.320 178.298 176.000 -0.037 0.000 0.978 131 Q CA 1.397 57.182 55.803 -0.030 0.000 0.833 131 Q CB -0.191 28.530 28.738 -0.029 0.000 0.895 131 Q HN 0.296 nan 8.270 nan 0.000 0.427 132 A N 0.624 123.416 122.820 -0.046 0.000 1.908 132 A HA -0.193 4.152 4.320 0.041 0.000 0.218 132 A C 2.006 179.562 177.584 -0.048 0.000 1.181 132 A CA 1.205 53.211 52.037 -0.052 0.000 0.627 132 A CB -0.574 18.391 19.000 -0.058 0.000 0.818 132 A HN 0.306 nan 8.150 nan 0.000 0.445 133 L N -0.653 120.538 121.223 -0.053 0.000 2.093 133 L HA 0.011 4.376 4.340 0.041 0.000 0.208 133 L C 2.752 179.596 176.870 -0.042 0.000 1.085 133 L CA 1.879 56.683 54.840 -0.060 0.000 0.755 133 L CB -0.741 41.262 42.059 -0.094 0.000 0.904 133 L HN 0.361 nan 8.230 nan 0.000 0.435 134 A N -1.189 121.610 122.820 -0.036 0.000 1.968 134 A HA 0.098 4.443 4.320 0.041 0.000 0.217 134 A C 2.170 179.741 177.584 -0.021 0.000 1.169 134 A CA 1.248 53.270 52.037 -0.026 0.000 0.638 134 A CB -0.662 18.325 19.000 -0.022 0.000 0.812 134 A HN 0.406 nan 8.150 nan 0.000 0.446 135 A N -1.691 121.114 122.820 -0.025 0.000 2.308 135 A HA 0.366 4.711 4.320 0.041 0.000 0.217 135 A C 0.688 178.256 177.584 -0.028 0.000 1.216 135 A CA 0.968 52.991 52.037 -0.024 0.000 0.864 135 A CB -0.221 18.765 19.000 -0.025 0.000 0.902 135 A HN 0.448 nan 8.150 nan 0.000 0.499 136 D N -1.140 119.243 120.400 -0.028 0.000 2.945 136 D HA -0.153 4.511 4.640 0.041 0.000 0.225 136 D C 0.099 176.366 176.300 -0.055 0.000 1.158 136 D CA 1.083 55.066 54.000 -0.028 0.000 0.805 136 D CB -1.553 39.236 40.800 -0.019 0.000 1.098 136 D HN 0.287 nan 8.370 nan 0.000 0.426 137 S N 0.167 115.825 115.700 -0.069 0.000 2.498 137 S HA 0.363 4.858 4.470 0.041 0.000 0.314 137 S C 0.158 174.664 174.600 -0.156 0.000 1.141 137 S CA -0.167 57.963 58.200 -0.117 0.000 1.087 137 S CB 0.001 63.144 63.200 -0.095 0.000 1.178 137 S HN 0.429 nan 8.310 nan 0.000 0.533 138 R N 2.769 123.136 120.500 -0.222 0.000 2.781 138 R HA 0.558 4.923 4.340 0.041 0.000 0.269 138 R C -1.637 174.448 176.300 -0.359 0.000 1.025 138 R CA -0.850 55.132 56.100 -0.195 0.000 0.914 138 R CB 0.581 30.857 30.300 -0.040 0.000 1.236 138 R HN 0.379 nan 8.270 nan 0.000 0.465 139 F N 0.384 120.318 119.950 -0.025 0.000 2.483 139 F HA 0.349 4.901 4.527 0.042 0.000 0.329 139 F C 0.636 176.417 175.800 -0.032 0.000 1.064 139 F CA -0.168 57.812 58.000 -0.034 0.000 0.986 139 F CB 1.755 40.728 39.000 -0.044 0.000 1.218 139 F HN 0.910 nan 8.300 nan 0.000 0.484 140 E N 0.194 120.505 120.200 0.184 0.000 3.916 140 E HA -0.223 4.152 4.350 0.041 0.000 0.331 140 E C 0.939 177.562 176.600 0.038 0.000 0.729 140 E CA 0.760 57.211 56.400 0.085 0.000 1.222 140 E CB -1.443 28.293 29.700 0.059 0.000 1.633 140 E HN 1.163 nan 8.360 nan 0.000 0.437 141 G N -0.457 108.358 108.800 0.024 0.000 2.198 141 G HA2 0.068 4.053 3.960 0.041 0.000 0.257 141 G HA3 0.068 4.053 3.960 0.041 0.000 0.257 141 G C 0.386 175.286 174.900 -0.001 0.000 1.042 141 G CA 0.670 45.772 45.100 0.003 0.000 0.791 141 G HN 1.237 nan 8.290 nan 0.000 0.502 142 G N -1.314 107.483 108.800 -0.005 0.000 2.333 142 G HA2 0.551 4.536 3.960 0.041 0.000 0.330 142 G HA3 0.551 4.536 3.960 0.041 0.000 0.330 142 G C -3.099 171.755 174.900 -0.077 0.000 1.465 142 G CA -0.022 45.064 45.100 -0.024 0.000 0.996 142 G HN 0.734 nan 8.290 nan 0.000 0.655 143 P HA 0.465 nan 4.420 nan 0.000 0.280 143 P C 0.122 177.276 177.300 -0.243 0.000 1.244 143 P CA -0.262 62.621 63.100 -0.361 0.000 0.784 143 P CB 1.596 32.773 31.700 -0.872 0.000 0.913 144 V N 5.216 124.987 119.914 -0.239 0.000 2.508 144 V HA 0.151 4.296 4.120 0.041 0.000 0.281 144 V C 0.758 176.664 176.094 -0.314 0.000 1.041 144 V CA 0.178 62.328 62.300 -0.249 0.000 1.016 144 V CB -0.055 31.578 31.823 -0.317 0.000 0.984 144 V HN 0.377 nan 8.190 nan 0.000 0.478 145 I N 4.743 125.194 120.570 -0.198 0.000 2.447 145 I HA 0.440 4.635 4.170 0.041 0.000 0.287 145 I C -1.031 175.164 176.117 0.130 0.000 1.023 145 I CA -0.354 60.892 61.300 -0.089 0.000 1.083 145 I CB 1.879 39.873 38.000 -0.010 0.000 1.245 145 I HN 0.500 nan 8.210 nan 0.000 0.434 146 W N 4.932 126.289 121.300 0.095 0.000 2.656 146 W HA 0.778 5.462 4.660 0.041 0.000 0.327 146 W C -0.328 176.269 176.519 0.129 0.000 1.041 146 W CA -1.478 55.949 57.345 0.136 0.000 1.229 146 W CB 1.919 31.509 29.460 0.217 0.000 1.397 146 W HN 0.412 nan 8.180 nan 0.000 0.479 147 A N 3.875 126.900 122.820 0.341 0.000 2.374 147 A HA 0.797 5.141 4.320 0.041 0.000 0.305 147 A C -0.885 176.809 177.584 0.183 0.000 1.053 147 A CA -0.860 51.309 52.037 0.219 0.000 0.726 147 A CB 1.887 20.976 19.000 0.148 0.000 1.229 147 A HN 0.493 nan 8.150 nan 0.000 0.431 148 R N 2.141 122.738 120.500 0.162 0.000 2.409 148 R HA 0.561 4.926 4.340 0.041 0.000 0.313 148 R C 0.547 176.891 176.300 0.074 0.000 0.953 148 R CA 0.885 57.058 56.100 0.121 0.000 0.849 148 R CB 0.848 31.238 30.300 0.150 0.000 1.171 148 R HN 2.185 nan 8.270 nan 0.000 0.458 149 G N 3.261 112.098 108.800 0.061 0.000 2.562 149 G HA2 -0.289 3.696 3.960 0.041 0.000 0.250 149 G HA3 -0.289 3.696 3.960 0.041 0.000 0.250 149 G C -1.030 173.893 174.900 0.039 0.000 1.269 149 G CA 0.169 45.294 45.100 0.042 0.000 0.919 149 G HN 0.590 nan 8.290 nan 0.000 0.574 150 D N 0.268 120.683 120.400 0.025 0.000 2.420 150 D HA 0.488 5.153 4.640 0.041 0.000 0.255 150 D C 1.742 178.045 176.300 0.006 0.000 1.185 150 D CA 0.266 54.278 54.000 0.020 0.000 0.904 150 D CB 0.949 41.760 40.800 0.018 0.000 1.102 150 D HN 0.885 nan 8.370 nan 0.000 0.534 151 V N 1.986 121.902 119.914 0.004 0.000 2.295 151 V HA -0.158 3.987 4.120 0.041 0.000 0.246 151 V C 1.946 178.027 176.094 -0.022 0.000 1.049 151 V CA 1.088 63.379 62.300 -0.017 0.000 1.024 151 V CB -0.491 31.319 31.823 -0.023 0.000 0.648 151 V HN 0.379 nan 8.190 nan 0.000 0.447 152 E N 1.002 121.194 120.200 -0.013 0.000 2.097 152 E HA -0.193 4.181 4.350 0.041 0.000 0.196 152 E C 2.359 178.949 176.600 -0.016 0.000 1.000 152 E CA 2.339 58.729 56.400 -0.015 0.000 0.804 152 E CB -0.609 29.087 29.700 -0.006 0.000 0.740 152 E HN 0.779 nan 8.360 nan 0.000 0.454 153 T N 0.853 115.401 114.554 -0.010 0.000 2.896 153 T HA 0.032 4.406 4.350 0.041 0.000 0.263 153 T C 2.009 176.700 174.700 -0.014 0.000 1.050 153 T CA 1.034 63.129 62.100 -0.009 0.000 1.140 153 T CB -0.087 68.780 68.868 -0.002 0.000 0.877 153 T HN 0.235 nan 8.240 nan 0.000 0.457 154 A N 1.660 124.470 122.820 -0.017 0.000 1.873 154 A HA 0.076 4.420 4.320 0.041 0.000 0.215 154 A C 2.225 179.790 177.584 -0.032 0.000 1.186 154 A CA 1.117 53.141 52.037 -0.022 0.000 0.616 154 A CB -0.876 18.110 19.000 -0.025 0.000 0.823 154 A HN 0.457 nan 8.150 nan 0.000 0.442 155 L N -0.654 120.546 121.223 -0.040 0.000 2.275 155 L HA -0.106 4.259 4.340 0.041 0.000 0.215 155 L C 2.901 179.743 176.870 -0.046 0.000 1.119 155 L CA 0.687 55.497 54.840 -0.050 0.000 0.790 155 L CB -0.413 41.608 42.059 -0.062 0.000 0.919 155 L HN 0.429 nan 8.230 nan 0.000 0.443 156 A N 0.085 122.883 122.820 -0.037 0.000 1.930 156 A HA -0.006 4.338 4.320 0.041 0.000 0.217 156 A C 1.879 179.441 177.584 -0.036 0.000 1.175 156 A CA 1.476 53.493 52.037 -0.034 0.000 0.627 156 A CB -0.610 18.375 19.000 -0.026 0.000 0.815 156 A HN 0.395 nan 8.150 nan 0.000 0.443 157 G N -0.749 108.031 108.800 -0.034 0.000 4.433 157 G HA2 0.512 4.496 3.960 0.041 0.000 0.304 157 G HA3 0.512 4.496 3.960 0.041 0.000 0.304 157 G C 0.058 174.933 174.900 -0.042 0.000 1.254 157 G CA 0.516 45.594 45.100 -0.036 0.000 0.999 157 G HN 0.645 nan 8.290 nan 0.000 0.576 158 A N 0.094 122.884 122.820 -0.050 0.000 2.309 158 A HA 0.733 5.078 4.320 0.041 0.000 0.298 158 A C 1.447 178.976 177.584 -0.091 0.000 1.165 158 A CA 0.243 52.248 52.037 -0.053 0.000 0.821 158 A CB 1.166 20.139 19.000 -0.046 0.000 1.102 158 A HN 0.777 nan 8.150 nan 0.000 0.500 159 A N 1.794 124.548 122.820 -0.110 0.000 1.969 159 A HA 0.099 4.444 4.320 0.041 0.000 0.218 159 A C 0.660 177.927 177.584 -0.529 0.000 1.169 159 A CA 1.410 53.289 52.037 -0.264 0.000 0.635 159 A CB -0.378 18.500 19.000 -0.204 0.000 0.810 159 A HN 0.893 nan 8.150 nan 0.000 0.445 160 H N -2.498 116.547 119.070 -0.041 0.000 2.782 160 H HA 0.631 5.212 4.556 0.041 0.000 0.347 160 H C -1.257 174.032 175.328 -0.064 0.000 1.038 160 H CA -0.508 55.511 56.048 -0.047 0.000 1.255 160 H CB 1.715 31.451 29.762 -0.043 0.000 1.623 160 H HN 0.237 nan 8.280 nan 0.000 0.525 161 L N 2.308 123.546 121.223 0.025 0.000 2.362 161 L HA 0.873 5.238 4.340 0.041 0.000 0.271 161 L C -1.021 175.798 176.870 -0.084 0.000 1.002 161 L CA -0.532 54.282 54.840 -0.044 0.000 0.818 161 L CB 1.594 43.613 42.059 -0.067 0.000 1.298 161 L HN 0.801 nan 8.230 nan 0.000 0.420 162 A N 4.031 126.760 122.820 -0.152 0.000 2.499 162 A HA 0.616 4.960 4.320 0.041 0.000 0.280 162 A C -0.938 176.423 177.584 -0.372 0.000 1.135 162 A CA -0.557 51.291 52.037 -0.315 0.000 0.744 162 A CB 0.549 19.350 19.000 -0.332 0.000 1.213 162 A HN 0.720 nan 8.150 nan 0.000 0.434 163 E N 0.745 120.690 120.200 -0.426 0.000 2.250 163 E HA 0.735 5.110 4.350 0.041 0.000 0.269 163 E C 0.379 176.575 176.600 -0.675 0.000 1.018 163 E CA -0.339 55.792 56.400 -0.449 0.000 0.873 163 E CB 2.096 31.622 29.700 -0.289 0.000 1.134 163 E HN 0.938 nan 8.360 nan 0.000 0.403 164 G N -0.258 107.981 108.800 -0.936 0.000 2.342 164 G HA2 0.409 4.393 3.960 0.041 0.000 0.297 164 G HA3 0.409 4.393 3.960 0.041 0.000 0.297 164 G C -1.820 172.594 174.900 -0.810 0.000 1.313 164 G CA -0.333 44.260 45.100 -0.846 0.000 0.830 164 G HN 0.696 nan 8.290 nan 0.000 0.506 165 C N -0.239 118.976 119.300 -0.142 0.000 3.090 165 C HA 0.927 5.412 4.460 0.041 0.000 0.347 165 C C -1.628 173.689 174.990 0.545 0.000 1.147 165 C CA -0.892 58.251 59.018 0.207 0.000 1.305 165 C CB 0.168 27.970 27.740 0.104 0.000 1.692 165 C HN 1.789 nan 8.230 nan 0.000 0.506 166 F N 2.668 122.801 119.950 0.304 0.000 2.678 166 F HA 0.733 5.284 4.527 0.041 0.000 0.308 166 F C -0.796 175.127 175.800 0.206 0.000 1.118 166 F CA -0.685 57.477 58.000 0.270 0.000 0.959 166 F CB 1.075 40.279 39.000 0.339 0.000 1.305 166 F HN 0.500 nan 8.300 nan 0.000 0.443 167 E N 3.102 123.308 120.200 0.009 0.000 2.301 167 E HA 0.467 4.842 4.350 0.041 0.000 0.275 167 E C -0.805 175.640 176.600 -0.258 0.000 1.030 167 E CA -0.436 55.898 56.400 -0.110 0.000 0.852 167 E CB 2.485 32.203 29.700 0.030 0.000 1.060 167 E HN 0.636 nan 8.360 nan 0.000 0.401 168 I N 1.623 122.041 120.570 -0.254 0.000 2.411 168 I HA 0.251 4.446 4.170 0.041 0.000 0.284 168 I C 0.792 176.908 176.117 -0.001 0.000 1.012 168 I CA -0.763 60.400 61.300 -0.229 0.000 1.119 168 I CB 1.761 39.597 38.000 -0.273 0.000 1.261 168 I HN 0.391 nan 8.210 nan 0.000 0.448 169 G N 3.752 112.547 108.800 -0.009 0.000 2.636 169 G HA2 0.424 4.409 3.960 0.041 0.000 0.246 169 G HA3 0.424 4.409 3.960 0.041 0.000 0.246 169 G C 0.551 175.636 174.900 0.309 0.000 1.216 169 G CA -0.034 45.145 45.100 0.133 0.000 0.854 169 G HN 0.704 nan 8.290 nan 0.000 0.572 170 G N -1.421 107.573 108.800 0.323 0.000 2.468 170 G HA2 0.483 4.468 3.960 0.041 0.000 0.264 170 G HA3 0.483 4.468 3.960 0.041 0.000 0.264 170 G C -0.190 174.923 174.900 0.354 0.000 1.460 170 G CA -0.163 45.138 45.100 0.336 0.000 1.060 170 G HN 0.733 nan 8.290 nan 0.000 0.543 171 Q N -1.189 118.747 119.800 0.226 0.000 2.430 171 Q HA 0.248 4.613 4.340 0.041 0.000 0.253 171 Q C -1.781 174.345 176.000 0.211 0.000 0.945 171 Q CA -0.623 55.325 55.803 0.241 0.000 0.964 171 Q CB 1.990 30.688 28.738 -0.067 0.000 1.460 171 Q HN 0.565 nan 8.270 nan 0.000 0.428 172 E N 1.663 121.894 120.200 0.050 0.000 2.259 172 E HA 0.171 4.545 4.350 0.041 0.000 0.281 172 E C -0.147 176.476 176.600 0.039 0.000 1.027 172 E CA 0.355 56.650 56.400 -0.176 0.000 0.838 172 E CB 0.717 29.942 29.700 -0.792 0.000 1.066 172 E HN 0.651 nan 8.360 nan 0.000 0.401 173 H N 4.150 123.109 119.070 -0.185 0.000 2.319 173 H HA -0.050 4.531 4.556 0.043 0.000 0.299 173 H C 0.178 175.354 175.328 -0.253 0.000 1.092 173 H CA 1.695 57.455 56.048 -0.481 0.000 1.302 173 H CB -0.313 29.020 29.762 -0.716 0.000 1.373 173 H HN 0.701 nan 8.280 nan 0.000 0.497 174 F N 0.501 120.184 119.950 -0.444 0.000 3.027 174 F HA -0.274 4.280 4.527 0.044 0.000 0.276 174 F C -0.759 174.934 175.800 -0.178 0.000 0.967 174 F CA -0.511 57.303 58.000 -0.310 0.000 0.929 174 F CB -1.806 37.167 39.000 -0.045 0.000 0.873 174 F HN 0.162 nan 8.300 nan 0.000 0.787 175 Y N 0.061 120.415 120.300 0.090 0.000 2.717 175 Y HA 0.180 4.758 4.550 0.045 0.000 0.330 175 Y C 1.082 176.915 175.900 -0.112 0.000 1.217 175 Y CA -1.133 57.056 58.100 0.148 0.000 1.506 175 Y CB 0.005 38.562 38.460 0.162 0.000 1.268 175 Y HN 0.130 nan 8.280 nan 0.000 0.561 176 L N 1.364 122.664 121.223 0.128 0.000 2.017 176 L HA -0.109 4.256 4.340 0.041 0.000 0.208 176 L C 1.254 178.080 176.870 -0.073 0.000 1.073 176 L CA 1.466 56.277 54.840 -0.048 0.000 0.745 176 L CB -0.745 41.310 42.059 -0.006 0.000 0.894 176 L HN 0.873 nan 8.230 nan 0.000 0.432 177 E N 0.559 120.713 120.200 -0.076 0.000 2.166 177 E HA 0.207 4.582 4.350 0.041 0.000 0.279 177 E C 0.221 176.783 176.600 -0.064 0.000 1.095 177 E CA -0.243 56.078 56.400 -0.132 0.000 0.888 177 E CB 0.621 30.189 29.700 -0.220 0.000 1.041 177 E HN 0.255 nan 8.360 nan 0.000 0.414 178 G N 3.602 112.392 108.800 -0.017 0.000 2.651 178 G HA2 -0.020 3.965 3.960 0.041 0.000 0.260 178 G HA3 -0.020 3.965 3.960 0.041 0.000 0.260 178 G C -0.047 174.777 174.900 -0.128 0.000 1.216 178 G CA -0.578 44.559 45.100 0.061 0.000 0.913 178 G HN 0.556 nan 8.290 nan 0.000 0.535 179 Q N -0.774 118.963 119.800 -0.105 0.000 2.310 179 Q HA 0.353 4.718 4.340 0.041 0.000 0.315 179 Q C 0.177 176.026 176.000 -0.252 0.000 1.081 179 Q CA 0.904 56.567 55.803 -0.233 0.000 0.981 179 Q CB 0.961 29.568 28.738 -0.218 0.000 1.184 179 Q HN 0.782 nan 8.270 nan 0.000 0.389 180 A N 0.684 123.363 122.820 -0.235 0.000 2.577 180 A HA 0.792 5.137 4.320 0.041 0.000 0.297 180 A C -1.583 175.923 177.584 -0.131 0.000 1.060 180 A CA 0.096 52.030 52.037 -0.171 0.000 0.697 180 A CB 1.620 20.554 19.000 -0.109 0.000 1.281 180 A HN 0.749 nan 8.150 nan 0.000 0.402 181 A N 0.405 123.160 122.820 -0.109 0.000 2.609 181 A HA 0.921 5.266 4.320 0.041 0.000 0.291 181 A C -1.860 175.696 177.584 -0.046 0.000 1.096 181 A CA -0.368 51.627 52.037 -0.070 0.000 0.684 181 A CB 1.541 20.490 19.000 -0.084 0.000 1.282 181 A HN 2.296 nan 8.150 nan 0.000 0.412 182 L N 0.358 121.572 121.223 -0.014 0.000 2.562 182 L HA 0.787 5.152 4.340 0.041 0.000 0.266 182 L C -0.455 176.421 176.870 0.009 0.000 0.949 182 L CA 0.139 54.980 54.840 0.002 0.000 0.879 182 L CB 1.613 43.697 42.059 0.042 0.000 1.278 182 L HN 1.456 nan 8.230 nan 0.000 0.404 183 A N 5.553 128.360 122.820 -0.022 0.000 2.324 183 A HA 0.884 5.228 4.320 0.041 0.000 0.330 183 A C -1.279 176.297 177.584 -0.013 0.000 1.165 183 A CA -0.472 51.547 52.037 -0.031 0.000 0.813 183 A CB 0.984 19.954 19.000 -0.050 0.000 1.197 183 A HN 0.705 nan 8.150 nan 0.000 0.484 184 L N 3.902 125.118 121.223 -0.012 0.000 2.415 184 L HA 0.369 4.734 4.340 0.041 0.000 0.268 184 L C -2.418 174.444 176.870 -0.014 0.000 0.984 184 L CA -1.854 52.986 54.840 0.001 0.000 0.853 184 L CB 2.329 44.410 42.059 0.036 0.000 1.215 184 L HN 0.482 nan 8.230 nan 0.000 0.419 185 P HA 0.114 nan 4.420 nan 0.000 0.271 185 P C -0.637 176.657 177.300 -0.010 0.000 1.233 185 P CA -0.056 63.036 63.100 -0.013 0.000 0.764 185 P CB 1.271 32.967 31.700 -0.006 0.000 0.825 186 A N 3.522 126.332 122.820 -0.016 0.000 2.709 186 A HA 0.332 4.677 4.320 0.041 0.000 0.332 186 A C 0.013 177.587 177.584 -0.018 0.000 1.241 186 A CA -0.618 51.410 52.037 -0.015 0.000 0.782 186 A CB -0.253 18.736 19.000 -0.018 0.000 1.109 186 A HN 0.553 nan 8.150 nan 0.000 0.472 187 E N 0.738 120.930 120.200 -0.013 0.000 2.708 187 E HA -0.222 4.153 4.350 0.041 0.000 0.150 187 E C 1.179 177.768 176.600 -0.017 0.000 1.853 187 E CA 1.095 57.487 56.400 -0.014 0.000 0.643 187 E CB -1.174 28.516 29.700 -0.017 0.000 1.078 187 E HN 2.112 nan 8.360 nan 0.000 0.345 188 G N 0.224 109.018 108.800 -0.010 0.000 2.328 188 G HA2 -0.321 3.663 3.960 0.041 0.000 0.256 188 G HA3 -0.321 3.663 3.960 0.041 0.000 0.256 188 G C 0.508 175.401 174.900 -0.012 0.000 1.014 188 G CA 0.344 45.439 45.100 -0.009 0.000 0.620 188 G HN 1.072 nan 8.290 nan 0.000 0.530 189 G N -1.368 107.420 108.800 -0.020 0.000 2.714 189 G HA2 0.846 4.831 3.960 0.041 0.000 0.292 189 G HA3 0.846 4.831 3.960 0.041 0.000 0.292 189 G C -0.526 174.355 174.900 -0.032 0.000 1.308 189 G CA 0.253 45.337 45.100 -0.025 0.000 0.964 189 G HN 1.500 nan 8.290 nan 0.000 0.484 190 V N -2.050 117.837 119.914 -0.044 0.000 2.815 190 V HA 0.828 4.973 4.120 0.041 0.000 0.314 190 V C -0.393 175.655 176.094 -0.077 0.000 1.064 190 V CA -1.069 61.198 62.300 -0.054 0.000 0.952 190 V CB 1.570 33.358 31.823 -0.059 0.000 1.020 190 V HN 0.534 nan 8.190 nan 0.000 0.439 191 V N 4.736 124.598 119.914 -0.086 0.000 2.398 191 V HA 0.515 4.660 4.120 0.041 0.000 0.286 191 V C -0.188 175.790 176.094 -0.192 0.000 1.026 191 V CA -0.395 61.815 62.300 -0.150 0.000 0.868 191 V CB 1.389 33.130 31.823 -0.136 0.000 0.982 191 V HN 0.717 nan 8.190 nan 0.000 0.443 192 I N 4.496 124.913 120.570 -0.256 0.000 2.378 192 I HA 0.489 4.684 4.170 0.041 0.000 0.291 192 I C -0.261 175.640 176.117 -0.360 0.000 0.992 192 I CA -0.415 60.754 61.300 -0.219 0.000 1.154 192 I CB 1.450 39.365 38.000 -0.143 0.000 1.315 192 I HN 0.578 nan 8.210 nan 0.000 0.448 193 H N 5.118 124.160 119.070 -0.047 0.000 2.469 193 H HA 0.613 5.157 4.556 -0.021 0.000 0.342 193 H C -0.394 174.905 175.328 -0.049 0.000 1.115 193 H CA -0.348 55.674 56.048 -0.043 0.000 1.204 193 H CB 2.518 32.257 29.762 -0.037 0.000 1.492 193 H HN 0.838 nan 8.280 nan 0.000 0.499 194 C N 0.449 119.782 119.300 0.055 0.000 3.307 194 C HA 0.370 4.855 4.460 0.041 0.000 0.333 194 C C 0.443 175.426 174.990 -0.012 0.000 1.291 194 C CA -1.118 57.899 59.018 -0.002 0.000 1.273 194 C CB 1.267 28.985 27.740 -0.037 0.000 1.580 194 C HN 0.729 nan 8.230 nan 0.000 0.481 195 S N 1.819 117.490 115.700 -0.047 0.000 3.483 195 S HA 0.556 5.050 4.470 0.041 0.000 0.274 195 S C -0.027 174.514 174.600 -0.097 0.000 1.289 195 S CA 0.283 58.442 58.200 -0.068 0.000 0.938 195 S CB -0.865 62.269 63.200 -0.110 0.000 1.453 195 S HN 1.097 nan 8.310 nan 0.000 0.494 196 S N 2.826 118.492 115.700 -0.056 0.000 2.548 196 S HA 0.412 4.906 4.470 0.041 0.000 0.286 196 S C 0.501 175.093 174.600 -0.013 0.000 1.098 196 S CA -0.616 57.560 58.200 -0.041 0.000 0.930 196 S CB 1.663 64.852 63.200 -0.019 0.000 1.070 196 S HN 0.702 nan 8.310 nan 0.000 0.480 197 Q N 1.162 120.964 119.800 0.004 0.000 2.424 197 Q HA 0.132 4.496 4.340 0.041 0.000 0.204 197 Q C 0.026 176.087 176.000 0.103 0.000 0.933 197 Q CA 0.527 56.345 55.803 0.025 0.000 0.929 197 Q CB 0.173 28.914 28.738 0.005 0.000 1.037 197 Q HN 0.742 nan 8.270 nan 0.000 0.511 198 H N 0.296 119.360 119.070 -0.010 0.000 2.429 198 H HA 0.150 4.730 4.556 0.041 0.000 0.231 198 H C -1.964 173.354 175.328 -0.016 0.000 1.416 198 H CA -2.226 53.819 56.048 -0.005 0.000 1.443 198 H CB 1.132 30.894 29.762 -0.000 0.000 1.591 198 H HN 0.013 nan 8.280 nan 0.000 0.507 199 P HA -0.120 nan 4.420 nan 0.000 0.219 199 P C 1.432 178.684 177.300 -0.080 0.000 1.146 199 P CA 0.843 63.935 63.100 -0.013 0.000 0.808 199 P CB 0.533 32.236 31.700 0.004 0.000 0.779 200 S N -0.185 115.479 115.700 -0.060 0.000 2.383 200 S HA -0.147 4.347 4.470 0.041 0.000 0.227 200 S C 2.018 176.434 174.600 -0.307 0.000 1.026 200 S CA 1.120 59.247 58.200 -0.123 0.000 0.981 200 S CB -0.544 62.673 63.200 0.029 0.000 0.818 200 S HN 0.326 nan 8.310 nan 0.000 0.472 201 E N 0.594 120.385 120.200 -0.682 0.000 2.152 201 E HA -0.071 4.304 4.350 0.041 0.000 0.192 201 E C 1.837 178.293 176.600 -0.241 0.000 0.983 201 E CA 0.687 56.759 56.400 -0.546 0.000 0.818 201 E CB -0.010 29.215 29.700 -0.792 0.000 0.758 201 E HN 0.314 nan 8.360 nan 0.000 0.467 202 I N 1.552 121.994 120.570 -0.213 0.000 2.127 202 I HA -0.316 3.879 4.170 0.041 0.000 0.241 202 I C 2.640 178.658 176.117 -0.164 0.000 1.075 202 I CA 1.563 62.783 61.300 -0.133 0.000 1.334 202 I CB -1.344 36.595 38.000 -0.102 0.000 1.040 202 I HN 0.394 nan 8.210 nan 0.000 0.405 203 Q N 0.333 120.008 119.800 -0.209 0.000 2.045 203 Q HA -0.313 4.052 4.340 0.041 0.000 0.206 203 Q C 2.373 178.078 176.000 -0.493 0.000 0.991 203 Q CA 2.376 57.999 55.803 -0.300 0.000 0.851 203 Q CB -0.328 28.242 28.738 -0.280 0.000 0.911 203 Q HN 0.600 nan 8.270 nan 0.000 0.418 204 H N 0.045 118.747 119.070 -0.615 0.000 2.319 204 H HA -0.117 4.463 4.556 0.040 0.000 0.297 204 H C 1.916 177.066 175.328 -0.297 0.000 1.097 204 H CA 2.115 57.738 56.048 -0.708 0.000 1.285 204 H CB 0.290 29.890 29.762 -0.271 0.000 1.368 204 H HN 0.057 nan 8.280 nan 0.000 0.495 205 K N -0.094 120.284 120.400 -0.037 0.000 2.031 205 K HA -0.039 4.306 4.320 0.041 0.000 0.205 205 K C 2.398 178.968 176.600 -0.049 0.000 1.049 205 K CA 1.048 57.355 56.287 0.034 0.000 0.939 205 K CB -0.553 31.968 32.500 0.036 0.000 0.717 205 K HN 0.216 nan 8.250 nan 0.000 0.438 206 V N 2.009 121.856 119.914 -0.113 0.000 2.332 206 V HA -0.276 3.869 4.120 0.041 0.000 0.248 206 V C 2.501 178.511 176.094 -0.140 0.000 1.055 206 V CA 2.038 64.271 62.300 -0.111 0.000 1.038 206 V CB -0.818 30.931 31.823 -0.123 0.000 0.651 206 V HN 0.301 nan 8.190 nan 0.000 0.450 207 A N -0.741 121.923 122.820 -0.259 0.000 1.883 207 A HA -0.287 4.058 4.320 0.041 0.000 0.217 207 A C 1.988 179.432 177.584 -0.234 0.000 1.186 207 A CA 2.325 54.189 52.037 -0.288 0.000 0.624 207 A CB -0.880 17.831 19.000 -0.482 0.000 0.822 207 A HN 0.711 nan 8.150 nan 0.000 0.444 208 H N -0.696 118.291 119.070 -0.138 0.000 2.389 208 H HA 0.082 4.664 4.556 0.043 0.000 0.299 208 H C 2.460 177.757 175.328 -0.052 0.000 1.081 208 H CA 1.234 57.227 56.048 -0.093 0.000 1.345 208 H CB -0.061 29.643 29.762 -0.097 0.000 1.393 208 H HN 0.542 nan 8.280 nan 0.000 0.520 209 A N 0.714 123.579 122.820 0.075 0.000 1.908 209 A HA -0.131 4.214 4.320 0.041 0.000 0.218 209 A C 2.073 179.713 177.584 0.094 0.000 1.181 209 A CA 1.374 53.453 52.037 0.070 0.000 0.627 209 A CB -0.480 18.534 19.000 0.023 0.000 0.818 209 A HN 0.361 nan 8.150 nan 0.000 0.445 210 L N -1.576 119.661 121.223 0.024 0.000 2.567 210 L HA 0.208 4.573 4.340 0.041 0.000 0.225 210 L C 1.495 178.305 176.870 -0.101 0.000 1.119 210 L CA 0.479 55.343 54.840 0.040 0.000 0.871 210 L CB -0.351 41.702 42.059 -0.011 0.000 1.036 210 L HN 0.592 nan 8.230 nan 0.000 0.459 211 G N 1.612 110.220 108.800 -0.319 0.000 2.246 211 G HA2 -0.263 3.722 3.960 0.041 0.000 0.273 211 G HA3 -0.263 3.722 3.960 0.041 0.000 0.273 211 G C -0.158 174.545 174.900 -0.329 0.000 1.055 211 G CA 0.058 44.751 45.100 -0.677 0.000 0.851 211 G HN 0.246 nan 8.290 nan 0.000 0.500 212 L N -0.435 120.679 121.223 -0.181 0.000 2.330 212 L HA 0.833 5.198 4.340 0.041 0.000 0.271 212 L C 1.006 177.842 176.870 -0.058 0.000 1.013 212 L CA -0.850 53.938 54.840 -0.087 0.000 0.816 212 L CB 1.757 43.789 42.059 -0.046 0.000 1.287 212 L HN 0.312 nan 8.230 nan 0.000 0.435 213 A N 0.667 123.477 122.820 -0.017 0.000 2.425 213 A HA 0.210 4.555 4.320 0.041 0.000 0.242 213 A C 0.727 178.371 177.584 0.101 0.000 1.077 213 A CA -0.055 51.948 52.037 -0.056 0.000 0.781 213 A CB -0.030 18.809 19.000 -0.268 0.000 1.020 213 A HN 0.617 nan 8.150 nan 0.000 0.494 214 F N 0.834 120.637 119.950 -0.245 0.000 2.154 214 F HA -0.205 4.348 4.527 0.044 0.000 0.301 214 F C 2.327 178.113 175.800 -0.024 0.000 1.087 214 F CA 2.219 60.126 58.000 -0.156 0.000 1.274 214 F CB -1.093 37.817 39.000 -0.151 0.000 1.009 214 F HN 0.887 nan 8.300 nan 0.000 0.485 215 H N -2.563 116.575 119.070 0.114 0.000 2.567 215 H HA 0.004 4.585 4.556 0.042 0.000 0.276 215 H C 0.583 175.913 175.328 0.002 0.000 1.016 215 H CA 0.684 56.755 56.048 0.039 0.000 1.186 215 H CB -0.226 29.548 29.762 0.019 0.000 1.351 215 H HN 0.160 nan 8.280 nan 0.000 0.605 216 D N 1.162 121.729 120.400 0.278 0.000 2.398 216 D HA 0.128 4.793 4.640 0.041 0.000 0.210 216 D C -0.168 176.138 176.300 0.009 0.000 1.094 216 D CA 0.121 54.178 54.000 0.094 0.000 0.839 216 D CB 1.200 42.062 40.800 0.103 0.000 0.963 216 D HN 0.164 nan 8.370 nan 0.000 0.506 217 V N 1.523 121.429 119.914 -0.013 0.000 2.448 217 V HA 0.368 4.513 4.120 0.041 0.000 0.295 217 V C 0.039 176.084 176.094 -0.082 0.000 1.025 217 V CA -0.856 61.396 62.300 -0.080 0.000 0.859 217 V CB 2.577 34.310 31.823 -0.150 0.000 0.988 217 V HN -0.098 nan 8.190 nan 0.000 0.431 218 R N 4.101 124.545 120.500 -0.094 0.000 2.439 218 R HA 0.732 5.097 4.340 0.041 0.000 0.310 218 R C -1.997 174.217 176.300 -0.143 0.000 0.955 218 R CA -0.361 55.681 56.100 -0.097 0.000 0.853 218 R CB 2.032 32.285 30.300 -0.079 0.000 1.171 218 R HN 0.511 nan 8.270 nan 0.000 0.449 219 V N 4.220 124.055 119.914 -0.132 0.000 2.459 219 V HA 0.391 4.536 4.120 0.041 0.000 0.295 219 V C -0.324 175.692 176.094 -0.131 0.000 1.029 219 V CA -0.659 61.551 62.300 -0.151 0.000 0.874 219 V CB 1.706 33.458 31.823 -0.118 0.000 0.985 219 V HN 0.799 nan 8.190 nan 0.000 0.438 220 E N 4.324 124.417 120.200 -0.177 0.000 2.238 220 E HA 0.747 5.122 4.350 0.041 0.000 0.267 220 E C -0.891 175.715 176.600 0.009 0.000 0.887 220 E CA -0.921 55.434 56.400 -0.074 0.000 0.769 220 E CB 2.532 32.203 29.700 -0.048 0.000 1.187 220 E HN 0.601 nan 8.360 nan 0.000 0.416 221 M N 2.369 121.989 119.600 0.035 0.000 2.221 221 M HA 0.340 4.845 4.480 0.041 0.000 0.259 221 M C -0.781 175.549 176.300 0.050 0.000 1.001 221 M CA -0.398 54.930 55.300 0.047 0.000 1.009 221 M CB 1.645 34.258 32.600 0.022 0.000 1.939 221 M HN 0.361 nan 8.290 nan 0.000 0.477 222 R N 3.451 123.981 120.500 0.050 0.000 2.074 222 R HA 0.466 4.831 4.340 0.041 0.000 0.218 222 R C -0.326 176.019 176.300 0.074 0.000 1.137 222 R CA 1.837 57.964 56.100 0.044 0.000 0.998 222 R CB 0.492 30.791 30.300 -0.002 0.000 0.895 222 R HN 0.785 nan 8.270 nan 0.000 0.442 223 R N -1.206 119.315 120.500 0.036 0.000 2.663 223 R HA 0.424 4.788 4.340 0.041 0.000 0.267 223 R C -1.195 175.160 176.300 0.091 0.000 1.038 223 R CA -0.776 55.358 56.100 0.057 0.000 0.886 223 R CB 1.135 31.450 30.300 0.025 0.000 1.249 223 R HN -0.019 nan 8.270 nan 0.000 0.463 224 M N 0.667 120.327 119.600 0.100 0.000 2.654 224 M HA 0.428 4.933 4.480 0.041 0.000 0.310 224 M C 0.647 177.050 176.300 0.172 0.000 1.211 224 M CA -0.682 54.671 55.300 0.089 0.000 0.947 224 M CB 2.225 34.801 32.600 -0.041 0.000 1.647 224 M HN 0.946 nan 8.290 nan 0.000 0.481 225 G N 0.822 109.656 108.800 0.056 0.000 3.939 225 G HA2 0.518 4.503 3.960 0.041 0.000 0.268 225 G HA3 0.518 4.503 3.960 0.041 0.000 0.268 225 G C 0.175 175.076 174.900 0.002 0.000 1.172 225 G CA 0.068 45.128 45.100 -0.066 0.000 1.614 225 G HN 1.082 nan 8.290 nan 0.000 0.639 226 G N -1.150 107.637 108.800 -0.022 0.000 2.721 226 G HA2 0.337 4.322 3.960 0.041 0.000 0.686 226 G HA3 0.337 4.322 3.960 0.041 0.000 0.686 226 G C 0.578 175.400 174.900 -0.130 0.000 1.236 226 G CA -0.349 44.697 45.100 -0.091 0.000 0.786 226 G HN 1.201 nan 8.290 nan 0.000 0.616 227 G N -0.556 108.001 108.800 -0.405 0.000 2.645 227 G HA2 0.540 4.525 3.960 0.041 0.000 0.208 227 G HA3 0.540 4.525 3.960 0.041 0.000 0.208 227 G C 0.858 175.772 174.900 0.024 0.000 1.264 227 G CA 0.819 45.817 45.100 -0.170 0.000 0.586 227 G HN 1.713 nan 8.290 nan 0.000 0.952 228 F N 0.756 120.737 119.950 0.051 0.000 3.048 228 F HA -0.199 4.354 4.527 0.043 0.000 0.287 228 F C 1.971 177.795 175.800 0.041 0.000 0.796 228 F CA 1.068 59.103 58.000 0.060 0.000 1.111 228 F CB -1.480 37.553 39.000 0.055 0.000 1.320 228 F HN 1.141 nan 8.300 nan 0.000 0.430 229 G N -1.109 107.747 108.800 0.094 0.000 2.234 229 G HA2 -0.205 3.780 3.960 0.041 0.000 0.235 229 G HA3 -0.205 3.780 3.960 0.041 0.000 0.235 229 G C 1.171 176.020 174.900 -0.085 0.000 0.997 229 G CA 0.200 45.366 45.100 0.109 0.000 0.623 229 G HN 1.241 nan 8.290 nan 0.000 0.514 230 G N 0.004 108.484 108.800 -0.533 0.000 2.598 230 G HA2 0.174 4.159 3.960 0.041 0.000 0.215 230 G HA3 0.174 4.159 3.960 0.041 0.000 0.215 230 G C 1.169 175.939 174.900 -0.217 0.000 1.131 230 G CA 1.340 45.936 45.100 -0.840 0.000 0.785 230 G HN 0.519 nan 8.290 nan 0.000 0.539 231 K N -0.178 120.128 120.400 -0.156 0.000 2.514 231 K HA 0.201 4.546 4.320 0.041 0.000 0.207 231 K C 1.322 177.906 176.600 -0.026 0.000 1.035 231 K CA -0.177 56.036 56.287 -0.124 0.000 1.113 231 K CB 0.664 33.038 32.500 -0.210 0.000 0.846 231 K HN 0.250 nan 8.250 nan 0.000 0.491 232 E N 0.541 120.753 120.200 0.020 0.000 2.216 232 E HA -0.098 4.277 4.350 0.041 0.000 0.192 232 E C 1.059 177.741 176.600 0.137 0.000 0.988 232 E CA 1.341 57.797 56.400 0.094 0.000 0.834 232 E CB 0.429 30.206 29.700 0.128 0.000 0.772 232 E HN 0.274 nan 8.360 nan 0.000 0.479 233 S N -1.792 113.973 115.700 0.108 0.000 2.546 233 S HA 0.052 4.547 4.470 0.041 0.000 0.282 233 S C 1.385 176.064 174.600 0.132 0.000 1.074 233 S CA -0.572 57.701 58.200 0.121 0.000 1.254 233 S CB 0.002 63.280 63.200 0.131 0.000 1.103 233 S HN -0.003 nan 8.310 nan 0.000 0.589 234 Q N 1.879 121.748 119.800 0.115 0.000 2.439 234 Q HA 0.101 4.466 4.340 0.041 0.000 0.211 234 Q C 1.896 177.991 176.000 0.159 0.000 0.978 234 Q CA 1.437 57.332 55.803 0.154 0.000 0.897 234 Q CB -0.908 27.907 28.738 0.130 0.000 0.956 234 Q HN 0.740 nan 8.270 nan 0.000 0.483 235 G N 0.997 109.845 108.800 0.081 0.000 2.443 235 G HA2 -0.250 3.735 3.960 0.041 0.000 0.219 235 G HA3 -0.250 3.735 3.960 0.041 0.000 0.219 235 G C 1.247 176.194 174.900 0.078 0.000 1.131 235 G CA 0.537 45.656 45.100 0.031 0.000 0.775 235 G HN 0.433 nan 8.290 nan 0.000 0.547 236 N N 0.105 118.880 118.700 0.125 0.000 2.061 236 N HA -0.169 4.595 4.740 0.041 0.000 0.193 236 N C 1.904 177.490 175.510 0.127 0.000 1.030 236 N CA 1.363 54.472 53.050 0.098 0.000 0.856 236 N CB -0.300 38.238 38.487 0.085 0.000 1.023 236 N HN 0.385 nan 8.380 nan 0.000 0.424 237 H N -0.015 119.149 119.070 0.157 0.000 2.353 237 H HA -0.079 4.502 4.556 0.040 0.000 0.298 237 H C 1.812 177.299 175.328 0.265 0.000 1.103 237 H CA 1.243 57.452 56.048 0.268 0.000 1.293 237 H CB -0.185 29.820 29.762 0.405 0.000 1.372 237 H HN 0.120 nan 8.280 nan 0.000 0.501 238 L N -0.326 121.034 121.223 0.228 0.000 2.044 238 L HA -0.047 4.317 4.340 0.041 0.000 0.205 238 L C 2.686 179.546 176.870 -0.016 0.000 1.075 238 L CA 1.482 56.327 54.840 0.008 0.000 0.747 238 L CB -0.794 41.149 42.059 -0.193 0.000 0.903 238 L HN 0.279 nan 8.230 nan 0.000 0.435 239 A N -0.239 122.574 122.820 -0.012 0.000 1.933 239 A HA -0.155 4.189 4.320 0.041 0.000 0.218 239 A C 2.327 179.894 177.584 -0.028 0.000 1.175 239 A CA 1.650 53.667 52.037 -0.034 0.000 0.628 239 A CB -0.773 18.202 19.000 -0.043 0.000 0.814 239 A HN 0.362 nan 8.150 nan 0.000 0.444 240 I N -0.359 120.212 120.570 0.002 0.000 2.163 240 I HA -0.266 3.929 4.170 0.041 0.000 0.240 240 I C 3.025 179.138 176.117 -0.006 0.000 1.081 240 I CA 1.049 62.347 61.300 -0.003 0.000 1.353 240 I CB -0.442 37.559 38.000 0.002 0.000 1.054 240 I HN 0.347 nan 8.210 nan 0.000 0.407 241 A N -0.024 122.825 122.820 0.049 0.000 1.892 241 A HA -0.289 4.055 4.320 0.041 0.000 0.218 241 A C 2.466 179.994 177.584 -0.093 0.000 1.188 241 A CA 2.206 54.250 52.037 0.011 0.000 0.631 241 A CB -1.393 17.634 19.000 0.046 0.000 0.822 241 A HN 0.569 nan 8.150 nan 0.000 0.447 242 C N -1.383 117.868 119.300 -0.080 0.000 2.432 242 C HA 0.059 4.544 4.460 0.041 0.000 0.277 242 C C 3.368 178.305 174.990 -0.088 0.000 1.249 242 C CA 0.930 59.895 59.018 -0.088 0.000 1.725 242 C CB -1.310 26.384 27.740 -0.076 0.000 2.028 242 C HN 0.714 nan 8.230 nan 0.000 0.477 243 A N -0.182 122.592 122.820 -0.078 0.000 1.930 243 A HA -0.063 4.282 4.320 0.041 0.000 0.217 243 A C 2.255 179.787 177.584 -0.086 0.000 1.175 243 A CA 1.895 53.888 52.037 -0.072 0.000 0.627 243 A CB -0.641 18.320 19.000 -0.064 0.000 0.815 243 A HN 0.371 nan 8.150 nan 0.000 0.443 244 V N -0.211 119.630 119.914 -0.122 0.000 2.295 244 V HA -0.235 3.910 4.120 0.041 0.000 0.246 244 V C 3.039 178.946 176.094 -0.312 0.000 1.049 244 V CA 2.002 64.188 62.300 -0.189 0.000 1.024 244 V CB -1.100 30.588 31.823 -0.224 0.000 0.648 244 V HN 0.600 nan 8.190 nan 0.000 0.447 245 A N -0.311 122.287 122.820 -0.371 0.000 1.968 245 A HA 0.010 4.355 4.320 0.041 0.000 0.217 245 A C 2.374 179.919 177.584 -0.065 0.000 1.169 245 A CA 1.730 53.573 52.037 -0.324 0.000 0.638 245 A CB -0.625 18.258 19.000 -0.195 0.000 0.812 245 A HN 0.548 nan 8.150 nan 0.000 0.446 246 A N -0.224 122.557 122.820 -0.065 0.000 1.930 246 A HA -0.133 4.212 4.320 0.041 0.000 0.217 246 A C 2.224 179.807 177.584 -0.002 0.000 1.175 246 A CA 1.603 53.626 52.037 -0.023 0.000 0.627 246 A CB -0.455 18.524 19.000 -0.035 0.000 0.815 246 A HN 0.533 nan 8.150 nan 0.000 0.443 247 R N -0.528 119.963 120.500 -0.015 0.000 2.096 247 R HA -0.069 4.296 4.340 0.041 0.000 0.235 247 R C 2.142 178.471 176.300 0.048 0.000 1.127 247 R CA 1.373 57.480 56.100 0.012 0.000 0.968 247 R CB -0.277 30.028 30.300 0.008 0.000 0.861 247 R HN 0.451 nan 8.270 nan 0.000 0.440 248 A N -0.502 122.364 122.820 0.076 0.000 2.021 248 A HA -0.046 4.299 4.320 0.041 0.000 0.216 248 A C 1.900 179.581 177.584 0.162 0.000 1.163 248 A CA 1.361 53.499 52.037 0.169 0.000 0.676 248 A CB -0.158 19.062 19.000 0.366 0.000 0.818 248 A HN 0.545 nan 8.150 nan 0.000 0.453 249 T N -5.188 109.451 114.554 0.142 0.000 3.040 249 T HA 0.404 4.778 4.350 0.041 0.000 0.250 249 T C 1.477 176.215 174.700 0.064 0.000 1.058 249 T CA 1.109 63.275 62.100 0.111 0.000 0.988 249 T CB 0.264 69.206 68.868 0.123 0.000 0.993 249 T HN 1.550 nan 8.240 nan 0.000 0.519 250 G N 2.613 111.443 108.800 0.051 0.000 2.189 250 G HA2 -0.304 3.680 3.960 0.041 0.000 0.267 250 G HA3 -0.304 3.680 3.960 0.041 0.000 0.267 250 G C 0.147 175.060 174.900 0.022 0.000 0.975 250 G CA 0.422 45.541 45.100 0.032 0.000 0.644 250 G HN 0.962 nan 8.290 nan 0.000 0.537 251 R N -0.314 120.200 120.500 0.022 0.000 2.888 251 R HA 0.705 5.070 4.340 0.041 0.000 0.266 251 R C -2.990 173.307 176.300 -0.005 0.000 1.020 251 R CA -2.289 53.817 56.100 0.009 0.000 0.963 251 R CB 1.499 31.806 30.300 0.012 0.000 1.197 251 R HN 0.079 nan 8.270 nan 0.000 0.481 252 P HA 0.014 nan 4.420 nan 0.000 0.266 252 P C -0.576 176.686 177.300 -0.064 0.000 1.195 252 P CA -0.218 62.863 63.100 -0.032 0.000 0.768 252 P CB 0.524 32.206 31.700 -0.030 0.000 0.838 253 C N 3.980 123.239 119.300 -0.069 0.000 2.441 253 C HA 0.498 4.983 4.460 0.041 0.000 0.318 253 C C 0.282 175.206 174.990 -0.110 0.000 1.222 253 C CA -0.334 58.625 59.018 -0.098 0.000 1.474 253 C CB 1.448 29.148 27.740 -0.067 0.000 2.125 253 C HN 0.552 nan 8.230 nan 0.000 0.479 254 K N 3.242 123.546 120.400 -0.161 0.000 2.324 254 K HA 0.742 5.087 4.320 0.041 0.000 0.253 254 K C -1.392 175.176 176.600 -0.053 0.000 0.932 254 K CA -0.394 55.827 56.287 -0.110 0.000 0.799 254 K CB 1.632 34.055 32.500 -0.128 0.000 1.154 254 K HN 0.836 nan 8.250 nan 0.000 0.425 255 M N 4.509 124.076 119.600 -0.055 0.000 2.327 255 M HA 0.403 4.907 4.480 0.041 0.000 0.298 255 M C -1.670 174.578 176.300 -0.088 0.000 1.065 255 M CA -0.687 54.579 55.300 -0.058 0.000 0.916 255 M CB 1.717 34.222 32.600 -0.159 0.000 1.630 255 M HN 0.676 nan 8.290 nan 0.000 0.442 256 R N 3.606 124.098 120.500 -0.013 0.000 2.533 256 R HA 0.436 4.801 4.340 0.041 0.000 0.288 256 R C -2.016 174.359 176.300 0.125 0.000 1.039 256 R CA -0.750 55.316 56.100 -0.057 0.000 0.909 256 R CB 0.898 31.150 30.300 -0.081 0.000 1.195 256 R HN 0.628 nan 8.270 nan 0.000 0.438 257 Y N 1.870 122.218 120.300 0.079 0.000 2.610 257 Y HA -0.059 4.519 4.550 0.046 0.000 0.332 257 Y C 1.079 177.055 175.900 0.127 0.000 1.201 257 Y CA -0.227 57.941 58.100 0.113 0.000 1.465 257 Y CB 0.640 39.167 38.460 0.111 0.000 1.283 257 Y HN 0.606 nan 8.280 nan 0.000 0.563 258 D N 2.513 123.113 120.400 0.332 0.000 2.362 258 D HA -0.032 4.633 4.640 0.041 0.000 0.242 258 D C 1.184 177.591 176.300 0.177 0.000 1.132 258 D CA -0.193 53.945 54.000 0.231 0.000 0.907 258 D CB 0.964 41.886 40.800 0.204 0.000 1.195 258 D HN 0.584 nan 8.370 nan 0.000 0.429 259 R N 2.081 122.660 120.500 0.132 0.000 2.117 259 R HA -0.201 4.164 4.340 0.041 0.000 0.243 259 R C 1.176 177.552 176.300 0.126 0.000 1.143 259 R CA 2.187 58.351 56.100 0.107 0.000 0.968 259 R CB -0.120 30.233 30.300 0.088 0.000 0.863 259 R HN 0.468 nan 8.270 nan 0.000 0.444 260 D N -0.365 120.118 120.400 0.139 0.000 2.194 260 D HA -0.080 4.585 4.640 0.041 0.000 0.204 260 D C 1.220 177.563 176.300 0.072 0.000 0.964 260 D CA 1.237 55.340 54.000 0.172 0.000 0.846 260 D CB -0.111 40.821 40.800 0.220 0.000 0.962 260 D HN 0.250 nan 8.370 nan 0.000 0.490 261 D N 0.296 120.716 120.400 0.034 0.000 2.117 261 D HA -0.145 4.520 4.640 0.041 0.000 0.198 261 D C 1.659 177.857 176.300 -0.170 0.000 0.982 261 D CA 0.784 54.739 54.000 -0.075 0.000 0.828 261 D CB -0.290 40.480 40.800 -0.051 0.000 0.967 261 D HN 0.108 nan 8.370 nan 0.000 0.464 262 D N 0.105 120.485 120.400 -0.035 0.000 2.106 262 D HA -0.148 4.517 4.640 0.041 0.000 0.191 262 D C 2.083 178.399 176.300 0.026 0.000 0.997 262 D CA 0.975 55.006 54.000 0.050 0.000 0.834 262 D CB -0.006 40.935 40.800 0.235 0.000 0.956 262 D HN 0.198 nan 8.370 nan 0.000 0.448 263 M N -0.299 119.324 119.600 0.039 0.000 2.254 263 M HA -0.093 4.411 4.480 0.041 0.000 0.265 263 M C 2.407 178.728 176.300 0.035 0.000 1.066 263 M CA 0.505 55.823 55.300 0.030 0.000 1.123 263 M CB -0.008 32.618 32.600 0.042 0.000 1.388 263 M HN -0.088 nan 8.290 nan 0.000 0.425 264 V N 0.837 120.763 119.914 0.019 0.000 2.358 264 V HA -0.228 3.917 4.120 0.041 0.000 0.246 264 V C 2.181 178.348 176.094 0.121 0.000 1.047 264 V CA 1.628 63.947 62.300 0.032 0.000 1.035 264 V CB -0.397 31.382 31.823 -0.073 0.000 0.658 264 V HN 0.374 nan 8.190 nan 0.000 0.452 265 I N 0.015 120.588 120.570 0.005 0.000 2.206 265 I HA -0.073 4.122 4.170 0.041 0.000 0.239 265 I C 1.569 177.751 176.117 0.108 0.000 1.078 265 I CA 1.181 62.505 61.300 0.040 0.000 1.367 265 I CB -0.465 37.361 38.000 -0.290 0.000 1.078 265 I HN 0.427 nan 8.210 nan 0.000 0.413 266 T N -0.300 114.289 114.554 0.057 0.000 2.828 266 T HA 0.429 4.804 4.350 0.041 0.000 0.290 266 T C 0.473 175.223 174.700 0.084 0.000 1.019 266 T CA -0.446 61.716 62.100 0.103 0.000 1.031 266 T CB 1.128 70.107 68.868 0.185 0.000 1.001 266 T HN 0.266 nan 8.240 nan 0.000 0.531 267 G N 0.556 109.403 108.800 0.078 0.000 2.653 267 G HA2 0.546 4.531 3.960 0.041 0.000 0.265 267 G HA3 0.546 4.531 3.960 0.041 0.000 0.265 267 G C -0.561 174.416 174.900 0.128 0.000 1.237 267 G CA -0.764 44.371 45.100 0.059 0.000 0.946 267 G HN 0.831 nan 8.290 nan 0.000 0.522 268 K N -1.600 118.862 120.400 0.103 0.000 2.318 268 K HA 0.417 4.762 4.320 0.041 0.000 0.265 268 K C -0.170 176.501 176.600 0.118 0.000 1.055 268 K CA -0.929 55.446 56.287 0.146 0.000 0.896 268 K CB 1.525 34.098 32.500 0.121 0.000 1.479 268 K HN 0.422 nan 8.250 nan 0.000 0.449 269 R N 1.361 121.957 120.500 0.160 0.000 2.489 269 R HA 0.055 4.420 4.340 0.041 0.000 0.287 269 R C -0.796 175.570 176.300 0.110 0.000 1.053 269 R CA -0.085 56.081 56.100 0.109 0.000 1.036 269 R CB 0.042 30.254 30.300 -0.146 0.000 0.966 269 R HN 0.519 nan 8.270 nan 0.000 0.432 270 H N 2.934 122.063 119.070 0.099 0.000 3.187 270 H HA -0.067 4.513 4.556 0.041 0.000 0.286 270 H C -0.256 175.238 175.328 0.276 0.000 0.944 270 H CA 0.778 56.911 56.048 0.141 0.000 1.429 270 H CB 0.114 29.966 29.762 0.151 0.000 1.483 270 H HN 0.500 nan 8.280 nan 0.000 0.555 271 D N 3.796 124.361 120.400 0.276 0.000 2.308 271 D HA 0.090 4.754 4.640 0.041 0.000 0.251 271 D C -0.263 176.170 176.300 0.222 0.000 1.127 271 D CA -0.176 54.001 54.000 0.294 0.000 0.876 271 D CB 0.798 41.736 40.800 0.230 0.000 1.176 271 D HN 0.271 nan 8.370 nan 0.000 0.446 272 F N 0.426 120.393 119.950 0.028 0.000 2.507 272 F HA 0.389 4.940 4.527 0.041 0.000 0.327 272 F C 0.971 176.726 175.800 -0.075 0.000 1.068 272 F CA -1.199 56.783 58.000 -0.031 0.000 0.965 272 F CB 2.310 41.248 39.000 -0.104 0.000 1.192 272 F HN 0.105 nan 8.300 nan 0.000 0.476 273 R N 3.322 123.882 120.500 0.101 0.000 2.445 273 R HA 0.648 5.013 4.340 0.041 0.000 0.308 273 R C -1.597 174.798 176.300 0.158 0.000 0.961 273 R CA -0.466 55.670 56.100 0.061 0.000 0.862 273 R CB 1.029 31.356 30.300 0.045 0.000 1.144 273 R HN 0.697 nan 8.270 nan 0.000 0.447 274 I N 4.350 124.996 120.570 0.126 0.000 2.410 274 I HA 0.371 4.566 4.170 0.041 0.000 0.286 274 I C -0.119 176.263 176.117 0.442 0.000 1.009 274 I CA -0.716 60.795 61.300 0.352 0.000 1.111 274 I CB 1.868 40.087 38.000 0.366 0.000 1.262 274 I HN 0.450 nan 8.210 nan 0.000 0.443 275 R N 6.301 127.028 120.500 0.378 0.000 2.407 275 R HA 0.548 4.913 4.340 0.041 0.000 0.303 275 R C -1.608 174.871 176.300 0.298 0.000 0.981 275 R CA -0.464 55.774 56.100 0.231 0.000 0.905 275 R CB 1.235 31.598 30.300 0.104 0.000 1.099 275 R HN 0.563 nan 8.270 nan 0.000 0.459 276 Y N -0.027 120.353 120.300 0.133 0.000 2.545 276 Y HA 0.601 5.175 4.550 0.041 0.000 0.348 276 Y C -1.086 174.700 175.900 -0.189 0.000 1.002 276 Y CA -1.345 56.713 58.100 -0.070 0.000 1.039 276 Y CB 1.582 40.056 38.460 0.022 0.000 1.271 276 Y HN 0.370 nan 8.280 nan 0.000 0.467 277 R N 3.780 124.177 120.500 -0.173 0.000 2.521 277 R HA 0.528 4.893 4.340 0.041 0.000 0.295 277 R C -1.748 174.435 176.300 -0.196 0.000 1.183 277 R CA -0.491 55.503 56.100 -0.176 0.000 0.957 277 R CB 1.984 32.185 30.300 -0.165 0.000 1.171 277 R HN 0.911 nan 8.270 nan 0.000 0.494 278 I N 1.104 121.597 120.570 -0.129 0.000 2.493 278 I HA 0.701 4.896 4.170 0.041 0.000 0.298 278 I C -0.351 175.702 176.117 -0.106 0.000 0.998 278 I CA -0.394 60.822 61.300 -0.141 0.000 1.137 278 I CB 1.898 39.825 38.000 -0.123 0.000 1.310 278 I HN 0.658 nan 8.210 nan 0.000 0.445 279 G N 4.825 113.571 108.800 -0.090 0.000 2.659 279 G HA2 0.816 4.801 3.960 0.041 0.000 0.296 279 G HA3 0.816 4.801 3.960 0.041 0.000 0.296 279 G C -1.890 172.986 174.900 -0.041 0.000 1.369 279 G CA -0.396 44.669 45.100 -0.057 0.000 0.937 279 G HN 0.875 nan 8.290 nan 0.000 0.485 280 A N 0.753 123.571 122.820 -0.002 0.000 2.532 280 A HA 0.858 5.203 4.320 0.041 0.000 0.290 280 A C -0.550 177.066 177.584 0.052 0.000 1.143 280 A CA -0.565 51.479 52.037 0.012 0.000 0.728 280 A CB 1.669 20.667 19.000 -0.002 0.000 1.317 280 A HN 0.845 nan 8.150 nan 0.000 0.414 281 D N -0.118 120.310 120.400 0.048 0.000 2.511 281 D HA 0.506 5.170 4.640 0.041 0.000 0.276 281 D C 1.211 177.581 176.300 0.116 0.000 1.220 281 D CA 0.159 54.191 54.000 0.052 0.000 1.077 281 D CB 0.753 41.569 40.800 0.026 0.000 1.126 281 D HN 0.534 nan 8.370 nan 0.000 0.583 282 A N -0.099 122.768 122.820 0.078 0.000 1.933 282 A HA -0.157 4.188 4.320 0.041 0.000 0.218 282 A C 2.172 179.806 177.584 0.084 0.000 1.175 282 A CA 2.535 54.638 52.037 0.109 0.000 0.628 282 A CB -1.059 17.971 19.000 0.051 0.000 0.814 282 A HN 0.639 nan 8.150 nan 0.000 0.444 283 S N -2.150 113.577 115.700 0.046 0.000 2.428 283 S HA 0.315 4.810 4.470 0.041 0.000 0.230 283 S C 1.538 176.140 174.600 0.004 0.000 1.014 283 S CA 1.367 59.580 58.200 0.022 0.000 0.957 283 S CB -0.222 62.987 63.200 0.015 0.000 0.784 283 S HN 1.889 nan 8.310 nan 0.000 0.499 284 G N 0.455 109.259 108.800 0.006 0.000 2.192 284 G HA2 -0.150 3.835 3.960 0.041 0.000 0.193 284 G HA3 -0.150 3.835 3.960 0.041 0.000 0.193 284 G C -0.079 174.796 174.900 -0.042 0.000 0.999 284 G CA -0.283 44.797 45.100 -0.032 0.000 0.659 284 G HN 0.409 nan 8.290 nan 0.000 0.503 285 K N 0.821 121.212 120.400 -0.015 0.000 2.326 285 K HA 0.397 4.742 4.320 0.041 0.000 0.275 285 K C 0.985 177.576 176.600 -0.014 0.000 1.018 285 K CA -0.336 55.946 56.287 -0.008 0.000 0.962 285 K CB 1.034 33.550 32.500 0.027 0.000 0.953 285 K HN 0.328 nan 8.250 nan 0.000 0.475 286 L N 3.987 125.191 121.223 -0.031 0.000 2.455 286 L HA -0.012 4.353 4.340 0.041 0.000 0.272 286 L C 1.624 178.474 176.870 -0.034 0.000 1.174 286 L CA 0.027 54.836 54.840 -0.052 0.000 0.869 286 L CB 0.132 42.141 42.059 -0.083 0.000 1.130 286 L HN 0.475 nan 8.230 nan 0.000 0.474 287 L N 2.548 123.748 121.223 -0.038 0.000 2.470 287 L HA 0.379 4.743 4.340 0.041 0.000 0.219 287 L C 0.847 177.685 176.870 -0.053 0.000 1.071 287 L CA 0.184 55.005 54.840 -0.032 0.000 0.850 287 L CB 0.132 42.178 42.059 -0.021 0.000 1.040 287 L HN 0.799 nan 8.230 nan 0.000 0.475 288 G N -0.167 108.591 108.800 -0.069 0.000 2.429 288 G HA2 0.562 4.547 3.960 0.041 0.000 0.300 288 G HA3 0.562 4.547 3.960 0.041 0.000 0.300 288 G C -2.043 172.797 174.900 -0.099 0.000 1.598 288 G CA 0.050 45.104 45.100 -0.077 0.000 0.863 288 G HN 0.025 nan 8.290 nan 0.000 0.614 289 A N 0.848 123.603 122.820 -0.109 0.000 2.398 289 A HA 0.784 5.128 4.320 0.041 0.000 0.301 289 A C -1.588 175.824 177.584 -0.287 0.000 1.041 289 A CA -0.550 51.353 52.037 -0.224 0.000 0.711 289 A CB 2.244 21.168 19.000 -0.127 0.000 1.240 289 A HN 0.614 nan 8.150 nan 0.000 0.420 290 D N 1.508 121.638 120.400 -0.450 0.000 2.481 290 D HA 0.658 5.322 4.640 0.041 0.000 0.246 290 D C -1.421 174.636 176.300 -0.406 0.000 1.109 290 D CA 0.127 53.954 54.000 -0.289 0.000 0.845 290 D CB 0.546 41.255 40.800 -0.152 0.000 1.160 290 D HN 0.256 nan 8.370 nan 0.000 0.534 291 F N 1.935 121.904 119.950 0.031 0.000 2.508 291 F HA 0.573 5.125 4.527 0.042 0.000 0.325 291 F C -0.030 175.764 175.800 -0.010 0.000 1.090 291 F CA -1.016 57.007 58.000 0.039 0.000 0.945 291 F CB 2.057 41.035 39.000 -0.037 0.000 1.156 291 F HN -0.042 nan 8.300 nan 0.000 0.463 292 V N 2.150 122.230 119.914 0.277 0.000 2.483 292 V HA 0.302 4.447 4.120 0.041 0.000 0.297 292 V C -0.786 175.524 176.094 0.361 0.000 1.027 292 V CA -0.812 61.623 62.300 0.225 0.000 0.855 292 V CB 1.455 33.394 31.823 0.194 0.000 0.995 292 V HN 0.732 nan 8.190 nan 0.000 0.424 293 H N 5.403 124.643 119.070 0.284 0.000 2.556 293 H HA 0.532 5.113 4.556 0.041 0.000 0.310 293 H C -0.692 174.745 175.328 0.183 0.000 1.057 293 H CA -0.703 55.526 56.048 0.300 0.000 1.264 293 H CB 1.328 31.321 29.762 0.385 0.000 1.404 293 H HN 0.445 nan 8.280 nan 0.000 0.462 294 L N 3.618 124.960 121.223 0.197 0.000 2.283 294 L HA 0.469 4.833 4.340 0.041 0.000 0.281 294 L C 0.010 176.729 176.870 -0.251 0.000 1.033 294 L CA -0.629 54.212 54.840 0.002 0.000 0.848 294 L CB 0.906 42.954 42.059 -0.019 0.000 1.226 294 L HN 0.593 nan 8.230 nan 0.000 0.429 295 A N 4.102 126.663 122.820 -0.431 0.000 2.304 295 A HA 0.558 4.902 4.320 0.041 0.000 0.323 295 A C -0.261 177.144 177.584 -0.298 0.000 1.195 295 A CA -0.647 50.914 52.037 -0.795 0.000 0.826 295 A CB 0.940 19.241 19.000 -1.166 0.000 1.184 295 A HN 0.715 nan 8.150 nan 0.000 0.496 296 R N 2.312 122.688 120.500 -0.207 0.000 2.216 296 R HA 0.306 4.671 4.340 0.041 0.000 0.332 296 R C -0.199 176.091 176.300 -0.017 0.000 1.056 296 R CA -0.233 55.815 56.100 -0.087 0.000 0.901 296 R CB 0.526 30.768 30.300 -0.098 0.000 1.039 296 R HN 0.857 nan 8.270 nan 0.000 0.456 297 C N 2.741 122.065 119.300 0.039 0.000 2.700 297 C HA 0.359 4.844 4.460 0.041 0.000 0.297 297 C C 1.126 176.093 174.990 -0.039 0.000 1.293 297 C CA 0.535 59.587 59.018 0.057 0.000 1.756 297 C CB -0.541 27.301 27.740 0.170 0.000 2.210 297 C HN 1.104 nan 8.230 nan 0.000 0.553 298 G N 0.713 109.523 108.800 0.016 0.000 2.660 298 G HA2 -0.207 3.778 3.960 0.041 0.000 0.247 298 G HA3 -0.207 3.778 3.960 0.041 0.000 0.247 298 G C 0.322 175.320 174.900 0.164 0.000 1.328 298 G CA 0.069 45.181 45.100 0.020 0.000 0.884 298 G HN 0.576 nan 8.290 nan 0.000 0.531 299 W N 0.280 121.558 121.300 -0.037 0.000 2.595 299 W HA 0.394 5.078 4.660 0.040 0.000 0.257 299 W C 0.679 177.290 176.519 0.153 0.000 1.267 299 W CA 1.302 58.682 57.345 0.058 0.000 1.300 299 W CB -0.953 28.566 29.460 0.098 0.000 1.120 299 W HN 1.348 nan 8.180 nan 0.000 0.618 300 S N -0.485 114.853 115.700 -0.603 0.000 2.570 300 S HA 0.631 5.126 4.470 0.041 0.000 0.286 300 S C 0.873 175.148 174.600 -0.542 0.000 1.099 300 S CA 0.009 57.795 58.200 -0.691 0.000 0.913 300 S CB 1.784 64.117 63.200 -1.445 0.000 1.085 300 S HN 0.155 nan 8.310 nan 0.000 0.480 301 A N 2.554 124.992 122.820 -0.637 0.000 1.865 301 A HA 0.012 4.356 4.320 0.041 0.000 0.217 301 A C 1.347 178.630 177.584 -0.502 0.000 1.191 301 A CA 2.086 53.576 52.037 -0.911 0.000 0.623 301 A CB -1.535 17.136 19.000 -0.549 0.000 0.826 301 A HN 1.182 nan 8.150 nan 0.000 0.444 302 D N -1.749 118.466 120.400 -0.308 0.000 3.740 302 D HA -0.246 4.419 4.640 0.041 0.000 0.147 302 D C 0.111 176.365 176.300 -0.077 0.000 0.885 302 D CA 2.118 56.030 54.000 -0.146 0.000 1.051 302 D CB -1.154 39.579 40.800 -0.113 0.000 0.480 302 D HN 0.309 nan 8.370 nan 0.000 0.469 303 L N 1.089 122.309 121.223 -0.006 0.000 3.062 303 L HA 0.216 4.581 4.340 0.041 0.000 0.255 303 L C 1.756 178.597 176.870 -0.049 0.000 1.274 303 L CA -0.326 54.548 54.840 0.056 0.000 1.047 303 L CB 0.760 42.943 42.059 0.207 0.000 1.402 303 L HN 0.078 nan 8.230 nan 0.000 0.550 304 S N 0.332 115.968 115.700 -0.106 0.000 2.368 304 S HA -0.148 4.347 4.470 0.041 0.000 0.224 304 S C 1.850 176.325 174.600 -0.209 0.000 1.029 304 S CA 1.134 59.211 58.200 -0.206 0.000 0.988 304 S CB -0.040 63.059 63.200 -0.169 0.000 0.838 304 S HN 0.504 nan 8.310 nan 0.000 0.462 305 L N 2.834 123.983 121.223 -0.124 0.000 1.971 305 L HA -0.093 4.271 4.340 0.041 0.000 0.215 305 L C -0.831 176.063 176.870 0.040 0.000 1.072 305 L CA 1.724 56.541 54.840 -0.039 0.000 0.758 305 L CB -1.101 40.951 42.059 -0.012 0.000 0.889 305 L HN 0.219 nan 8.230 nan 0.000 0.433 306 P HA -0.102 nan 4.420 nan 0.000 0.219 306 P C 1.963 179.411 177.300 0.247 0.000 1.150 306 P CA 1.198 64.472 63.100 0.290 0.000 0.814 306 P CB 0.020 32.006 31.700 0.477 0.000 0.787 307 V N 0.596 120.413 119.914 -0.163 0.000 2.261 307 V HA -0.247 3.898 4.120 0.041 0.000 0.246 307 V C 2.776 178.771 176.094 -0.165 0.000 1.047 307 V CA 2.221 64.209 62.300 -0.519 0.000 1.015 307 V CB -1.410 29.867 31.823 -0.910 0.000 0.642 307 V HN 0.171 nan 8.190 nan 0.000 0.446 308 C N -0.141 119.092 119.300 -0.112 0.000 2.448 308 C HA -0.077 4.408 4.460 0.041 0.000 0.280 308 C C 2.356 177.399 174.990 0.087 0.000 1.398 308 C CA 0.342 59.393 59.018 0.056 0.000 1.774 308 C CB -1.151 26.592 27.740 0.006 0.000 1.888 308 C HN 0.604 nan 8.230 nan 0.000 0.519 309 D N 0.553 121.018 120.400 0.108 0.000 2.144 309 D HA -0.111 4.554 4.640 0.041 0.000 0.200 309 D C 2.329 178.794 176.300 0.275 0.000 0.978 309 D CA 0.956 55.090 54.000 0.223 0.000 0.833 309 D CB -0.399 40.624 40.800 0.372 0.000 0.961 309 D HN 0.482 nan 8.370 nan 0.000 0.470 310 R N 0.418 121.059 120.500 0.234 0.000 2.090 310 R HA 0.036 4.401 4.340 0.041 0.000 0.228 310 R C 2.052 178.498 176.300 0.243 0.000 1.110 310 R CA 1.040 57.295 56.100 0.258 0.000 0.973 310 R CB -0.040 30.413 30.300 0.254 0.000 0.869 310 R HN 0.075 nan 8.270 nan 0.000 0.440 311 A N 0.911 123.805 122.820 0.122 0.000 1.908 311 A HA -0.194 4.151 4.320 0.041 0.000 0.218 311 A C 2.157 179.899 177.584 0.263 0.000 1.181 311 A CA 1.597 53.662 52.037 0.047 0.000 0.627 311 A CB -0.411 18.513 19.000 -0.127 0.000 0.818 311 A HN 0.343 nan 8.150 nan 0.000 0.445 312 M N -1.315 118.471 119.600 0.311 0.000 2.156 312 M HA -0.071 4.434 4.480 0.041 0.000 0.264 312 M C 1.846 178.515 176.300 0.615 0.000 1.067 312 M CA 0.960 56.478 55.300 0.363 0.000 1.131 312 M CB -0.332 32.309 32.600 0.069 0.000 1.368 312 M HN 0.305 nan 8.290 nan 0.000 0.416 313 L N -0.620 120.912 121.223 0.516 0.000 2.191 313 L HA -0.186 4.179 4.340 0.041 0.000 0.212 313 L C 1.584 178.658 176.870 0.340 0.000 1.103 313 L CA 1.972 56.980 54.840 0.280 0.000 0.769 313 L CB -1.146 40.888 42.059 -0.041 0.000 0.908 313 L HN 0.312 nan 8.230 nan 0.000 0.438 314 H N -2.181 117.062 119.070 0.288 0.000 2.520 314 H HA 0.364 4.945 4.556 0.041 0.000 0.284 314 H C 1.799 177.240 175.328 0.189 0.000 1.037 314 H CA 0.481 56.658 56.048 0.216 0.000 1.168 314 H CB 0.178 29.984 29.762 0.073 0.000 1.497 314 H HN 0.175 nan 8.280 nan 0.000 0.547 315 A N 0.735 123.721 122.820 0.276 0.000 2.172 315 A HA -0.136 4.208 4.320 0.041 0.000 0.216 315 A C 1.743 179.304 177.584 -0.039 0.000 1.154 315 A CA 1.381 53.394 52.037 -0.041 0.000 0.701 315 A CB -0.097 18.801 19.000 -0.171 0.000 0.789 315 A HN 0.563 nan 8.150 nan 0.000 0.465 316 D N -1.394 119.128 120.400 0.203 0.000 2.323 316 D HA 0.185 4.850 4.640 0.041 0.000 0.209 316 D C 1.385 177.838 176.300 0.254 0.000 0.973 316 D CA 1.092 55.251 54.000 0.265 0.000 0.874 316 D CB -0.514 40.558 40.800 0.453 0.000 0.930 316 D HN 0.548 nan 8.370 nan 0.000 0.521 317 G N 1.094 110.017 108.800 0.204 0.000 2.677 317 G HA2 -0.355 3.630 3.960 0.041 0.000 0.321 317 G HA3 -0.355 3.630 3.960 0.041 0.000 0.321 317 G C 0.883 175.783 174.900 0.000 0.000 1.181 317 G CA 0.873 46.051 45.100 0.130 0.000 0.965 317 G HN 0.410 nan 8.290 nan 0.000 0.548 318 S N 0.379 115.839 115.700 -0.400 0.000 2.666 318 S HA 0.485 4.979 4.470 0.041 0.000 0.239 318 S C -0.342 174.083 174.600 -0.292 0.000 1.031 318 S CA 0.057 58.050 58.200 -0.346 0.000 1.015 318 S CB 0.386 63.358 63.200 -0.381 0.000 0.981 318 S HN 0.513 nan 8.310 nan 0.000 0.547 319 Y N 0.134 120.499 120.300 0.108 0.000 2.509 319 Y HA 0.580 5.155 4.550 0.041 0.000 0.341 319 Y C -0.445 175.108 175.900 -0.578 0.000 1.038 319 Y CA -1.704 56.290 58.100 -0.177 0.000 1.089 319 Y CB 0.685 39.104 38.460 -0.069 0.000 1.241 319 Y HN 0.117 nan 8.280 nan 0.000 0.468 320 F N 2.885 122.428 119.950 -0.677 0.000 2.445 320 F HA 0.560 5.111 4.527 0.041 0.000 0.359 320 F C -0.924 174.792 175.800 -0.139 0.000 1.101 320 F CA -0.730 56.946 58.000 -0.540 0.000 1.177 320 F CB 0.296 39.059 39.000 -0.395 0.000 1.110 320 F HN 0.178 nan 8.300 nan 0.000 0.522 321 V N 9.229 128.716 119.914 -0.711 0.000 2.409 321 V HA 0.266 4.411 4.120 0.041 0.000 0.291 321 V C -1.831 173.778 176.094 -0.808 0.000 1.020 321 V CA -1.349 60.621 62.300 -0.549 0.000 0.848 321 V CB 1.532 33.245 31.823 -0.183 0.000 0.990 321 V HN 0.643 nan 8.190 nan 0.000 0.430 322 P HA 0.045 nan 4.420 nan 0.000 0.219 322 P C 0.273 177.472 177.300 -0.168 0.000 1.150 322 P CA 0.962 63.826 63.100 -0.394 0.000 0.814 322 P CB 0.404 32.053 31.700 -0.085 0.000 0.787 323 A N -0.238 122.507 122.820 -0.125 0.000 2.335 323 A HA 0.692 5.037 4.320 0.041 0.000 0.304 323 A C -1.311 176.251 177.584 -0.037 0.000 1.118 323 A CA -0.538 51.470 52.037 -0.048 0.000 0.757 323 A CB 0.435 19.419 19.000 -0.026 0.000 1.188 323 A HN 0.133 nan 8.150 nan 0.000 0.460 324 L N 2.289 123.520 121.223 0.015 0.000 2.493 324 L HA 0.778 5.143 4.340 0.041 0.000 0.265 324 L C -0.711 176.219 176.870 0.099 0.000 0.954 324 L CA -0.515 54.352 54.840 0.044 0.000 0.844 324 L CB 1.852 43.931 42.059 0.035 0.000 1.302 324 L HN 0.854 nan 8.230 nan 0.000 0.405 325 R N 4.193 124.755 120.500 0.103 0.000 2.628 325 R HA 0.760 5.125 4.340 0.041 0.000 0.288 325 R C -1.841 174.551 176.300 0.154 0.000 0.980 325 R CA -0.527 55.654 56.100 0.135 0.000 0.891 325 R CB 1.660 32.015 30.300 0.091 0.000 1.188 325 R HN 0.588 nan 8.270 nan 0.000 0.450 326 I N 1.918 122.574 120.570 0.144 0.000 2.530 326 I HA 0.359 4.554 4.170 0.041 0.000 0.297 326 I C -0.465 175.634 176.117 -0.030 0.000 1.011 326 I CA -0.453 60.867 61.300 0.034 0.000 1.107 326 I CB 2.040 39.996 38.000 -0.072 0.000 1.285 326 I HN 0.573 nan 8.210 nan 0.000 0.436 327 E N 3.559 123.733 120.200 -0.044 0.000 2.255 327 E HA 0.340 4.715 4.350 0.041 0.000 0.245 327 E C -1.132 175.439 176.600 -0.049 0.000 0.909 327 E CA -0.237 56.130 56.400 -0.055 0.000 0.747 327 E CB 1.038 30.768 29.700 0.050 0.000 1.215 327 E HN 0.571 nan 8.360 nan 0.000 0.424 328 S N 4.827 120.430 115.700 -0.163 0.000 2.434 328 S HA 0.201 4.696 4.470 0.041 0.000 0.318 328 S C -0.706 173.820 174.600 -0.123 0.000 1.062 328 S CA -0.636 57.536 58.200 -0.046 0.000 1.116 328 S CB 0.114 63.271 63.200 -0.072 0.000 0.977 328 S HN 0.511 nan 8.310 nan 0.000 0.480 329 H N 5.686 124.761 119.070 0.008 0.000 2.705 329 H HA 0.251 4.832 4.556 0.041 0.000 0.291 329 H C 0.253 175.555 175.328 -0.042 0.000 1.085 329 H CA -0.611 55.429 56.048 -0.014 0.000 1.357 329 H CB 0.528 30.284 29.762 -0.010 0.000 1.419 329 H HN 0.560 nan 8.280 nan 0.000 0.462 330 R N 4.302 124.840 120.500 0.064 0.000 2.235 330 R HA 0.285 4.650 4.340 0.041 0.000 0.338 330 R C -0.619 175.771 176.300 0.150 0.000 1.087 330 R CA -0.506 55.632 56.100 0.063 0.000 0.948 330 R CB 0.089 30.425 30.300 0.060 0.000 1.099 330 R HN 0.430 nan 8.270 nan 0.000 0.483 331 L N 2.866 124.145 121.223 0.092 0.000 2.307 331 L HA 0.484 4.849 4.340 0.041 0.000 0.282 331 L C 0.782 177.702 176.870 0.083 0.000 1.051 331 L CA -0.816 54.056 54.840 0.054 0.000 0.804 331 L CB 1.336 43.391 42.059 -0.007 0.000 1.197 331 L HN 0.418 nan 8.230 nan 0.000 0.431 332 R N 1.915 122.378 120.500 -0.062 0.000 2.308 332 R HA 0.426 4.791 4.340 0.041 0.000 0.305 332 R C -0.585 175.683 176.300 -0.054 0.000 1.053 332 R CA -0.163 55.870 56.100 -0.111 0.000 0.957 332 R CB 0.951 30.898 30.300 -0.587 0.000 1.022 332 R HN 0.815 nan 8.270 nan 0.000 0.461 333 T N 0.313 114.871 114.554 0.006 0.000 2.906 333 T HA 0.259 4.633 4.350 0.041 0.000 0.295 333 T C -0.048 174.674 174.700 0.037 0.000 1.075 333 T CA -1.052 61.031 62.100 -0.029 0.000 1.005 333 T CB 1.430 70.227 68.868 -0.118 0.000 1.136 333 T HN 0.574 nan 8.240 nan 0.000 0.498 334 N N 1.523 120.234 118.700 0.019 0.000 3.115 334 N HA 0.279 5.044 4.740 0.041 0.000 0.305 334 N C 0.097 175.641 175.510 0.056 0.000 1.305 334 N CA -0.146 52.959 53.050 0.092 0.000 1.154 334 N CB 0.019 38.538 38.487 0.052 0.000 1.454 334 N HN 0.807 nan 8.380 nan 0.000 0.551 335 T N -3.764 110.793 114.554 0.005 0.000 2.716 335 T HA 0.355 4.730 4.350 0.041 0.000 0.286 335 T C -0.197 174.383 174.700 -0.200 0.000 1.052 335 T CA -1.034 61.002 62.100 -0.106 0.000 1.024 335 T CB 0.797 69.368 68.868 -0.495 0.000 1.349 335 T HN -0.179 nan 8.240 nan 0.000 0.525 336 Q N 1.386 121.053 119.800 -0.221 0.000 2.304 336 Q HA 0.304 4.669 4.340 0.041 0.000 0.301 336 Q C 0.229 176.133 176.000 -0.160 0.000 1.063 336 Q CA 0.301 55.881 55.803 -0.373 0.000 0.947 336 Q CB 0.402 29.130 28.738 -0.018 0.000 1.201 336 Q HN 0.672 nan 8.270 nan 0.000 0.389 337 S N 3.896 119.526 115.700 -0.117 0.000 3.065 337 S HA 0.068 4.563 4.470 0.041 0.000 0.311 337 S C -0.214 174.295 174.600 -0.151 0.000 1.204 337 S CA -0.670 57.436 58.200 -0.157 0.000 1.040 337 S CB -0.495 62.524 63.200 -0.300 0.000 1.436 337 S HN 0.474 nan 8.310 nan 0.000 0.532 338 N N 2.924 121.484 118.700 -0.233 0.000 2.292 338 N HA 0.031 4.796 4.740 0.041 0.000 0.242 338 N C 0.315 175.663 175.510 -0.270 0.000 1.243 338 N CA 0.577 53.397 53.050 -0.383 0.000 0.851 338 N CB 0.771 38.722 38.487 -0.893 0.000 1.093 338 N HN 0.608 nan 8.380 nan 0.000 0.450 339 T N -1.023 113.492 114.554 -0.064 0.000 2.654 339 T HA 0.632 5.006 4.350 0.041 0.000 0.289 339 T C -1.045 173.789 174.700 0.222 0.000 1.062 339 T CA -0.506 61.676 62.100 0.137 0.000 1.041 339 T CB 0.661 69.604 68.868 0.124 0.000 1.417 339 T HN 0.517 nan 8.240 nan 0.000 0.510 340 A N 1.081 124.044 122.820 0.240 0.000 2.520 340 A HA 0.546 4.890 4.320 0.041 0.000 0.235 340 A C -0.589 177.270 177.584 0.458 0.000 1.065 340 A CA 0.251 52.493 52.037 0.341 0.000 0.764 340 A CB -0.627 18.709 19.000 0.560 0.000 1.002 340 A HN 0.767 nan 8.150 nan 0.000 0.502 341 F N 1.570 121.645 119.950 0.209 0.000 2.670 341 F HA 0.351 4.904 4.527 0.043 0.000 0.332 341 F C 0.389 176.088 175.800 -0.169 0.000 1.179 341 F CA -1.076 56.967 58.000 0.072 0.000 1.076 341 F CB 1.045 39.890 39.000 -0.258 0.000 1.322 341 F HN 0.819 nan 8.300 nan 0.000 0.515 342 R N 4.036 124.753 120.500 0.362 0.000 4.360 342 R HA -0.074 4.290 4.340 0.041 0.000 0.119 342 R C 0.934 176.943 176.300 -0.485 0.000 0.311 342 R CA 2.078 58.141 56.100 -0.062 0.000 0.816 342 R CB -0.647 29.621 30.300 -0.053 0.000 1.070 342 R HN 1.190 nan 8.270 nan 0.000 0.227 343 G N 3.431 112.105 108.800 -0.209 0.000 2.436 343 G HA2 -0.304 3.680 3.960 0.041 0.000 0.204 343 G HA3 -0.304 3.680 3.960 0.041 0.000 0.204 343 G C 0.279 175.276 174.900 0.162 0.000 1.026 343 G CA -0.068 44.944 45.100 -0.146 0.000 0.658 343 G HN 0.819 nan 8.290 nan 0.000 0.499 344 F N 0.708 120.602 119.950 -0.094 0.000 3.040 344 F HA 0.064 4.615 4.527 0.041 0.000 0.298 344 F C 1.800 177.565 175.800 -0.059 0.000 0.948 344 F CA 2.503 60.490 58.000 -0.022 0.000 1.022 344 F CB -1.013 38.003 39.000 0.026 0.000 1.023 344 F HN 2.083 nan 8.300 nan 0.000 0.742 345 G N -0.514 108.176 108.800 -0.183 0.000 2.320 345 G HA2 -0.300 3.684 3.960 0.041 0.000 0.242 345 G HA3 -0.300 3.684 3.960 0.041 0.000 0.242 345 G C 1.692 176.463 174.900 -0.215 0.000 1.033 345 G CA 0.871 45.834 45.100 -0.229 0.000 0.620 345 G HN 1.596 nan 8.290 nan 0.000 0.517 346 G N 1.917 110.627 108.800 -0.149 0.000 2.529 346 G HA2 -0.053 3.932 3.960 0.041 0.000 0.219 346 G HA3 -0.053 3.932 3.960 0.041 0.000 0.219 346 G C 0.149 175.005 174.900 -0.072 0.000 1.177 346 G CA 2.151 47.092 45.100 -0.266 0.000 0.773 346 G HN 0.570 nan 8.290 nan 0.000 0.573 347 P HA -0.053 nan 4.420 nan 0.000 0.217 347 P C 1.776 179.137 177.300 0.101 0.000 1.150 347 P CA 1.273 64.431 63.100 0.097 0.000 0.832 347 P CB -0.008 31.715 31.700 0.039 0.000 0.787 348 Q N -0.593 119.135 119.800 -0.121 0.000 2.050 348 Q HA -0.067 4.297 4.340 0.041 0.000 0.202 348 Q C 2.446 178.207 176.000 -0.398 0.000 0.980 348 Q CA 2.114 57.720 55.803 -0.328 0.000 0.840 348 Q CB -1.572 26.569 28.738 -0.994 0.000 0.898 348 Q HN 0.243 nan 8.270 nan 0.000 0.424 349 G N 0.021 108.596 108.800 -0.374 0.000 2.402 349 G HA2 -0.180 3.805 3.960 0.041 0.000 0.216 349 G HA3 -0.180 3.805 3.960 0.041 0.000 0.216 349 G C 1.468 176.342 174.900 -0.043 0.000 1.162 349 G CA 0.786 45.768 45.100 -0.197 0.000 0.777 349 G HN 0.437 nan 8.290 nan 0.000 0.539 350 A N 0.433 123.288 122.820 0.058 0.000 1.902 350 A HA 0.072 4.417 4.320 0.041 0.000 0.217 350 A C 2.334 179.997 177.584 0.132 0.000 1.181 350 A CA 1.598 53.715 52.037 0.133 0.000 0.623 350 A CB -0.444 18.672 19.000 0.194 0.000 0.818 350 A HN 0.405 nan 8.150 nan 0.000 0.443 351 L N 0.211 121.511 121.223 0.129 0.000 2.083 351 L HA -0.024 4.341 4.340 0.041 0.000 0.209 351 L C 2.390 179.406 176.870 0.243 0.000 1.083 351 L CA 2.109 57.050 54.840 0.169 0.000 0.752 351 L CB -1.028 41.115 42.059 0.140 0.000 0.899 351 L HN 0.318 nan 8.230 nan 0.000 0.433 352 G N -0.662 108.254 108.800 0.195 0.000 2.446 352 G HA2 -0.370 3.615 3.960 0.041 0.000 0.217 352 G HA3 -0.370 3.615 3.960 0.041 0.000 0.217 352 G C 1.558 176.597 174.900 0.231 0.000 1.168 352 G CA 1.144 46.417 45.100 0.288 0.000 0.771 352 G HN 0.413 nan 8.290 nan 0.000 0.551 353 M N 0.536 120.184 119.600 0.080 0.000 2.175 353 M HA 0.084 4.589 4.480 0.041 0.000 0.264 353 M C 2.151 178.582 176.300 0.218 0.000 1.063 353 M CA 1.248 56.692 55.300 0.241 0.000 1.119 353 M CB -0.308 32.422 32.600 0.217 0.000 1.377 353 M HN 0.093 nan 8.290 nan 0.000 0.415 354 E N -0.345 119.970 120.200 0.191 0.000 2.208 354 E HA -0.118 4.257 4.350 0.041 0.000 0.193 354 E C 2.191 178.814 176.600 0.037 0.000 0.988 354 E CA 0.619 57.118 56.400 0.165 0.000 0.828 354 E CB -0.346 29.465 29.700 0.184 0.000 0.763 354 E HN 0.408 nan 8.360 nan 0.000 0.478 355 R N 0.473 120.941 120.500 -0.055 0.000 2.075 355 R HA 0.100 4.465 4.340 0.041 0.000 0.226 355 R C 2.042 178.135 176.300 -0.345 0.000 1.114 355 R CA 1.048 56.993 56.100 -0.259 0.000 0.972 355 R CB -0.372 29.530 30.300 -0.662 0.000 0.869 355 R HN 0.120 nan 8.270 nan 0.000 0.437 356 A N 0.718 123.244 122.820 -0.491 0.000 1.898 356 A HA -0.123 4.222 4.320 0.041 0.000 0.216 356 A C 2.259 179.727 177.584 -0.192 0.000 1.181 356 A CA 1.173 52.859 52.037 -0.584 0.000 0.620 356 A CB -0.504 18.258 19.000 -0.397 0.000 0.819 356 A HN 0.319 nan 8.150 nan 0.000 0.442 357 I N -0.826 119.675 120.570 -0.115 0.000 2.439 357 I HA -0.181 4.014 4.170 0.041 0.000 0.251 357 I C 2.348 178.413 176.117 -0.086 0.000 1.139 357 I CA 1.730 62.948 61.300 -0.137 0.000 1.438 357 I CB 0.014 37.859 38.000 -0.258 0.000 1.085 357 I HN 0.449 nan 8.210 nan 0.000 0.427 358 E N 0.170 120.347 120.200 -0.039 0.000 2.047 358 E HA -0.314 4.061 4.350 0.041 0.000 0.191 358 E C 2.248 178.901 176.600 0.090 0.000 0.987 358 E CA 1.554 57.966 56.400 0.020 0.000 0.799 358 E CB -0.292 29.393 29.700 -0.025 0.000 0.752 358 E HN 0.478 nan 8.360 nan 0.000 0.449 359 H N 0.007 119.032 119.070 -0.076 0.000 2.319 359 H HA -0.126 4.454 4.556 0.041 0.000 0.299 359 H C 2.106 177.303 175.328 -0.218 0.000 1.092 359 H CA 1.751 57.610 56.048 -0.316 0.000 1.302 359 H CB -0.499 28.988 29.762 -0.458 0.000 1.373 359 H HN 0.291 nan 8.280 nan 0.000 0.497 360 L N 0.800 122.046 121.223 0.038 0.000 2.012 360 L HA -0.110 4.254 4.340 0.041 0.000 0.210 360 L C 2.734 179.583 176.870 -0.034 0.000 1.073 360 L CA 2.032 56.858 54.840 -0.022 0.000 0.748 360 L CB -1.113 40.901 42.059 -0.075 0.000 0.891 360 L HN 0.310 nan 8.230 nan 0.000 0.431 361 A N -0.426 122.374 122.820 -0.033 0.000 1.873 361 A HA -0.240 4.105 4.320 0.041 0.000 0.218 361 A C 2.333 179.917 177.584 0.001 0.000 1.193 361 A CA 1.927 53.944 52.037 -0.033 0.000 0.629 361 A CB -0.583 18.409 19.000 -0.013 0.000 0.826 361 A HN 0.450 nan 8.150 nan 0.000 0.447 362 R N -0.788 119.753 120.500 0.067 0.000 2.092 362 R HA -0.097 4.268 4.340 0.041 0.000 0.231 362 R C 2.348 178.682 176.300 0.057 0.000 1.119 362 R CA 1.249 57.410 56.100 0.102 0.000 0.970 362 R CB -1.319 29.129 30.300 0.246 0.000 0.864 362 R HN 0.555 nan 8.270 nan 0.000 0.440 363 G N 1.803 110.628 108.800 0.041 0.000 2.432 363 G HA2 -0.234 3.750 3.960 0.041 0.000 0.219 363 G HA3 -0.234 3.750 3.960 0.041 0.000 0.219 363 G C 1.531 176.436 174.900 0.008 0.000 1.135 363 G CA 0.907 46.031 45.100 0.040 0.000 0.767 363 G HN 0.429 nan 8.290 nan 0.000 0.550 364 M N -1.446 118.111 119.600 -0.072 0.000 2.414 364 M HA 0.465 4.970 4.480 0.041 0.000 0.251 364 M C 1.259 177.484 176.300 -0.124 0.000 1.116 364 M CA 0.671 55.858 55.300 -0.187 0.000 1.056 364 M CB 0.497 32.742 32.600 -0.591 0.000 1.388 364 M HN 0.318 nan 8.290 nan 0.000 0.487 365 G N 2.594 111.354 108.800 -0.065 0.000 2.341 365 G HA2 -0.242 3.743 3.960 0.041 0.000 0.278 365 G HA3 -0.242 3.743 3.960 0.041 0.000 0.278 365 G C -0.458 174.413 174.900 -0.048 0.000 1.111 365 G CA 0.223 45.301 45.100 -0.037 0.000 0.982 365 G HN 0.669 nan 8.290 nan 0.000 0.502 366 R N -0.202 120.265 120.500 -0.055 0.000 2.750 366 R HA 0.464 4.829 4.340 0.041 0.000 0.281 366 R C -0.560 175.728 176.300 -0.021 0.000 0.972 366 R CA -0.859 55.213 56.100 -0.047 0.000 0.912 366 R CB 1.061 31.316 30.300 -0.075 0.000 1.187 366 R HN 0.165 nan 8.270 nan 0.000 0.464 367 D N 4.501 124.897 120.400 -0.006 0.000 2.502 367 D HA -0.005 4.659 4.640 0.041 0.000 0.249 367 D C -1.633 174.683 176.300 0.026 0.000 1.188 367 D CA -1.328 52.684 54.000 0.021 0.000 0.890 367 D CB 1.321 42.141 40.800 0.032 0.000 1.140 367 D HN 0.269 nan 8.370 nan 0.000 0.505 368 P HA -0.194 nan 4.420 nan 0.000 0.216 368 P C 1.049 178.365 177.300 0.028 0.000 1.150 368 P CA 2.003 65.121 63.100 0.030 0.000 0.843 368 P CB 0.047 31.792 31.700 0.074 0.000 0.787 369 A N 0.058 122.939 122.820 0.102 0.000 1.892 369 A HA -0.249 4.096 4.320 0.041 0.000 0.218 369 A C 2.191 179.794 177.584 0.031 0.000 1.188 369 A CA 1.744 53.847 52.037 0.111 0.000 0.631 369 A CB -1.090 18.081 19.000 0.286 0.000 0.822 369 A HN 0.113 nan 8.150 nan 0.000 0.447 370 E N -0.659 119.558 120.200 0.030 0.000 2.072 370 E HA -0.138 4.237 4.350 0.041 0.000 0.191 370 E C 1.988 178.541 176.600 -0.079 0.000 0.985 370 E CA 1.002 57.396 56.400 -0.010 0.000 0.801 370 E CB -0.508 29.195 29.700 0.005 0.000 0.750 370 E HN 0.521 nan 8.360 nan 0.000 0.452 371 L N 1.140 122.302 121.223 -0.100 0.000 2.093 371 L HA -0.111 4.254 4.340 0.041 0.000 0.208 371 L C 2.371 179.077 176.870 -0.273 0.000 1.085 371 L CA 1.448 56.192 54.840 -0.160 0.000 0.755 371 L CB -0.099 41.870 42.059 -0.150 0.000 0.904 371 L HN -0.052 nan 8.230 nan 0.000 0.435 372 R N -0.978 119.344 120.500 -0.297 0.000 2.075 372 R HA -0.103 4.262 4.340 0.041 0.000 0.232 372 R C 2.266 178.070 176.300 -0.827 0.000 1.126 372 R CA 1.220 57.044 56.100 -0.460 0.000 0.963 372 R CB -0.629 29.555 30.300 -0.193 0.000 0.858 372 R HN 0.472 nan 8.270 nan 0.000 0.435 373 A N 1.311 123.798 122.820 -0.556 0.000 1.883 373 A HA -0.182 4.163 4.320 0.041 0.000 0.217 373 A C 2.089 179.521 177.584 -0.253 0.000 1.186 373 A CA 1.215 53.010 52.037 -0.403 0.000 0.624 373 A CB -0.561 18.411 19.000 -0.047 0.000 0.822 373 A HN 0.256 nan 8.150 nan 0.000 0.444 374 L N -0.325 120.788 121.223 -0.184 0.000 2.265 374 L HA -0.080 4.285 4.340 0.041 0.000 0.215 374 L C 1.286 178.103 176.870 -0.088 0.000 1.117 374 L CA 1.621 56.402 54.840 -0.098 0.000 0.782 374 L CB -0.231 41.777 42.059 -0.085 0.000 0.914 374 L HN 0.372 nan 8.230 nan 0.000 0.441 375 N N -1.908 116.690 118.700 -0.170 0.000 2.171 375 N HA 0.123 4.887 4.740 0.041 0.000 0.212 375 N C 0.068 175.652 175.510 0.122 0.000 1.184 375 N CA -0.104 52.910 53.050 -0.061 0.000 0.888 375 N CB 0.365 38.744 38.487 -0.180 0.000 1.038 375 N HN 0.197 nan 8.380 nan 0.000 0.517 376 F N 0.712 120.773 119.950 0.184 0.000 2.586 376 F HA -0.000 4.552 4.527 0.041 0.000 0.335 376 F C 0.961 176.762 175.800 0.002 0.000 1.210 376 F CA -0.501 57.557 58.000 0.096 0.000 1.359 376 F CB 0.319 39.345 39.000 0.044 0.000 1.142 376 F HN -0.023 nan 8.300 nan 0.000 0.606 377 Y N 0.796 121.245 120.300 0.249 0.000 2.480 377 Y HA -0.025 4.549 4.550 0.041 0.000 0.338 377 Y C 0.617 176.528 175.900 0.020 0.000 1.220 377 Y CA -0.438 57.719 58.100 0.096 0.000 1.430 377 Y CB 0.074 38.542 38.460 0.013 0.000 1.311 377 Y HN 0.380 nan 8.280 nan 0.000 0.575 378 D N 3.776 124.257 120.400 0.134 0.000 2.399 378 D HA 0.102 4.767 4.640 0.041 0.000 0.241 378 D C -2.259 174.048 176.300 0.011 0.000 1.133 378 D CA -1.034 52.990 54.000 0.041 0.000 0.890 378 D CB 0.524 41.317 40.800 -0.012 0.000 1.201 378 D HN 0.243 nan 8.370 nan 0.000 0.432 379 P HA 0.188 nan 4.420 nan 0.000 0.272 379 P C -2.478 174.812 177.300 -0.017 0.000 1.223 379 P CA -0.990 62.088 63.100 -0.037 0.000 0.784 379 P CB -0.201 31.484 31.700 -0.024 0.000 0.923 380 P HA 0.213 nan 4.420 nan 0.000 0.271 380 P C -0.610 176.694 177.300 0.007 0.000 1.220 380 P CA 0.595 63.697 63.100 0.003 0.000 0.768 380 P CB 0.132 31.840 31.700 0.015 0.000 0.848 399 K N 0.668 121.066 120.400 -0.003 0.000 7.265 399 K HA -0.123 4.222 4.320 0.041 0.000 0.656 399 K C -1.708 174.883 176.600 -0.016 0.000 2.578 399 K CA 1.188 57.471 56.287 -0.006 0.000 1.945 399 K CB -1.132 31.364 32.500 -0.006 0.000 2.193 399 K HN 0.476 nan 8.250 nan 0.000 0.248 400 T N 5.086 119.634 114.554 -0.009 0.000 2.855 400 T HA 0.314 4.689 4.350 0.041 0.000 0.281 400 T C 0.037 174.728 174.700 -0.015 0.000 1.007 400 T CA -0.745 61.346 62.100 -0.014 0.000 1.009 400 T CB 1.335 70.205 68.868 0.002 0.000 0.983 400 T HN 0.462 nan 8.240 nan 0.000 0.455 401 Q N 1.671 121.445 119.800 -0.043 0.000 2.428 401 Q HA 0.330 4.695 4.340 0.041 0.000 0.276 401 Q C 0.570 176.641 176.000 0.118 0.000 1.059 401 Q CA 0.091 55.881 55.803 -0.022 0.000 0.923 401 Q CB 0.421 29.096 28.738 -0.104 0.000 1.283 401 Q HN 0.813 nan 8.270 nan 0.000 0.447 402 T N -2.234 112.473 114.554 0.254 0.000 2.930 402 T HA 0.527 4.902 4.350 0.041 0.000 0.290 402 T C 0.090 174.917 174.700 0.212 0.000 1.052 402 T CA -0.952 61.233 62.100 0.141 0.000 1.017 402 T CB 1.522 70.432 68.868 0.070 0.000 1.137 402 T HN 0.629 nan 8.240 nan 0.000 0.511 403 T N -0.570 113.906 114.554 -0.130 0.000 2.788 403 T HA 0.183 4.557 4.350 0.041 0.000 0.287 403 T C 1.590 176.125 174.700 -0.275 0.000 1.007 403 T CA -0.257 61.667 62.100 -0.293 0.000 1.005 403 T CB 0.125 68.319 68.868 -1.124 0.000 1.012 403 T HN 0.906 nan 8.240 nan 0.000 0.530 404 H N 0.107 119.103 119.070 -0.123 0.000 2.489 404 H HA -0.120 4.460 4.556 0.041 0.000 0.293 404 H C 1.366 176.713 175.328 0.032 0.000 1.066 404 H CA 1.528 57.585 56.048 0.015 0.000 1.305 404 H CB -0.830 29.021 29.762 0.148 0.000 1.386 404 H HN 0.922 nan 8.280 nan 0.000 0.551 405 Y N -0.783 119.294 120.300 -0.372 0.000 2.470 405 Y HA 0.495 5.070 4.550 0.042 0.000 0.284 405 Y C 1.602 177.404 175.900 -0.164 0.000 1.188 405 Y CA -0.413 57.503 58.100 -0.308 0.000 1.269 405 Y CB -0.080 38.097 38.460 -0.472 0.000 1.094 405 Y HN 0.250 nan 8.280 nan 0.000 0.518 406 G N 0.489 109.151 108.800 -0.230 0.000 2.143 406 G HA2 -0.336 3.648 3.960 0.041 0.000 0.248 406 G HA3 -0.336 3.648 3.960 0.041 0.000 0.248 406 G C -0.049 174.793 174.900 -0.097 0.000 0.991 406 G CA 0.266 45.305 45.100 -0.102 0.000 0.689 406 G HN 0.608 nan 8.290 nan 0.000 0.522 407 Q N 0.433 120.101 119.800 -0.221 0.000 2.256 407 Q HA 0.410 4.775 4.340 0.041 0.000 0.254 407 Q C 0.150 176.111 176.000 -0.066 0.000 0.916 407 Q CA -0.491 55.266 55.803 -0.076 0.000 0.932 407 Q CB 0.525 29.300 28.738 0.061 0.000 1.207 407 Q HN 0.525 nan 8.270 nan 0.000 0.426 408 E N 2.091 122.295 120.200 0.007 0.000 2.376 408 E HA 0.078 4.452 4.350 0.041 0.000 0.266 408 E C -0.968 175.647 176.600 0.024 0.000 1.009 408 E CA -0.088 56.318 56.400 0.010 0.000 0.902 408 E CB 1.052 30.769 29.700 0.029 0.000 0.972 408 E HN 0.351 nan 8.360 nan 0.000 0.439 409 V N 3.147 123.012 119.914 -0.082 0.000 2.294 409 V HA 0.298 4.443 4.120 0.041 0.000 0.272 409 V C 0.465 176.531 176.094 -0.046 0.000 1.027 409 V CA -0.111 62.094 62.300 -0.160 0.000 0.823 409 V CB 0.896 32.303 31.823 -0.693 0.000 1.030 409 V HN 0.772 nan 8.190 nan 0.000 0.457 410 A N 3.357 126.206 122.820 0.048 0.000 2.609 410 A HA 0.343 4.688 4.320 0.041 0.000 0.286 410 A C 0.761 178.386 177.584 0.069 0.000 1.138 410 A CA 0.086 52.151 52.037 0.046 0.000 0.960 410 A CB 0.106 19.135 19.000 0.049 0.000 1.208 410 A HN 0.748 nan 8.150 nan 0.000 0.541 411 D N -1.705 118.763 120.400 0.114 0.000 2.599 411 D HA 0.093 4.757 4.640 0.041 0.000 0.249 411 D C -0.109 176.221 176.300 0.051 0.000 1.313 411 D CA -0.288 53.800 54.000 0.146 0.000 0.815 411 D CB -1.139 39.819 40.800 0.264 0.000 1.077 411 D HN 0.054 nan 8.370 nan 0.000 0.492 412 C N 2.059 121.282 119.300 -0.129 0.000 2.520 412 C HA 0.306 4.791 4.460 0.041 0.000 0.369 412 C C 1.819 176.462 174.990 -0.578 0.000 1.244 412 C CA -0.334 58.356 59.018 -0.546 0.000 1.677 412 C CB -1.041 26.525 27.740 -0.289 0.000 2.324 412 C HN 0.351 nan 8.230 nan 0.000 0.557 413 V N 5.096 124.478 119.914 -0.888 0.000 3.647 413 V HA 0.094 4.239 4.120 0.041 0.000 0.279 413 V C 1.770 177.400 176.094 -0.774 0.000 1.314 413 V CA 0.707 62.622 62.300 -0.641 0.000 1.125 413 V CB -0.901 30.573 31.823 -0.581 0.000 0.907 413 V HN 0.854 nan 8.190 nan 0.000 0.434 414 L N 1.667 122.339 121.223 -0.918 0.000 2.043 414 L HA -0.100 4.265 4.340 0.041 0.000 0.212 414 L C 2.796 179.230 176.870 -0.727 0.000 1.075 414 L CA 2.112 56.398 54.840 -0.924 0.000 0.752 414 L CB -1.068 40.266 42.059 -1.209 0.000 0.891 414 L HN 0.518 nan 8.230 nan 0.000 0.432 415 G N -0.721 107.813 108.800 -0.444 0.000 2.514 415 G HA2 -0.344 3.641 3.960 0.041 0.000 0.217 415 G HA3 -0.344 3.641 3.960 0.041 0.000 0.217 415 G C 1.460 176.302 174.900 -0.098 0.000 1.198 415 G CA 1.014 46.056 45.100 -0.096 0.000 0.780 415 G HN 0.430 nan 8.290 nan 0.000 0.565 416 E N -0.201 119.915 120.200 -0.141 0.000 2.047 416 E HA -0.054 4.320 4.350 0.041 0.000 0.191 416 E C 2.528 179.076 176.600 -0.088 0.000 0.987 416 E CA 0.702 57.080 56.400 -0.037 0.000 0.799 416 E CB -0.187 29.568 29.700 0.091 0.000 0.752 416 E HN 0.397 nan 8.360 nan 0.000 0.449 417 L N 0.553 121.508 121.223 -0.448 0.000 1.990 417 L HA -0.226 4.139 4.340 0.041 0.000 0.213 417 L C 2.414 179.168 176.870 -0.193 0.000 1.072 417 L CA 1.313 55.834 54.840 -0.531 0.000 0.755 417 L CB -0.242 41.241 42.059 -0.960 0.000 0.889 417 L HN 0.043 nan 8.230 nan 0.000 0.432 418 V N -0.398 119.396 119.914 -0.201 0.000 2.332 418 V HA -0.318 3.827 4.120 0.041 0.000 0.248 418 V C 2.508 178.590 176.094 -0.020 0.000 1.055 418 V CA 2.331 64.581 62.300 -0.083 0.000 1.038 418 V CB -0.930 30.903 31.823 0.018 0.000 0.651 418 V HN 0.591 nan 8.190 nan 0.000 0.450 419 T N -0.420 114.141 114.554 0.013 0.000 2.746 419 T HA -0.247 4.128 4.350 0.041 0.000 0.267 419 T C 2.009 176.747 174.700 0.064 0.000 1.039 419 T CA 1.806 63.936 62.100 0.050 0.000 1.142 419 T CB -0.261 68.645 68.868 0.063 0.000 0.866 419 T HN 0.430 nan 8.240 nan 0.000 0.444 420 R N 0.430 120.983 120.500 0.089 0.000 2.073 420 R HA -0.037 4.328 4.340 0.041 0.000 0.234 420 R C 2.441 178.791 176.300 0.083 0.000 1.134 420 R CA 1.197 57.368 56.100 0.119 0.000 0.952 420 R CB -0.525 29.912 30.300 0.228 0.000 0.850 420 R HN 0.299 nan 8.270 nan 0.000 0.433 421 L N 1.337 122.592 121.223 0.054 0.000 2.046 421 L HA -0.188 4.177 4.340 0.041 0.000 0.208 421 L C 2.123 178.998 176.870 0.009 0.000 1.077 421 L CA 1.813 56.668 54.840 0.024 0.000 0.747 421 L CB -0.319 41.730 42.059 -0.017 0.000 0.896 421 L HN 0.275 nan 8.230 nan 0.000 0.432 422 Q N -0.894 118.901 119.800 -0.008 0.000 2.167 422 Q HA -0.174 4.191 4.340 0.041 0.000 0.202 422 Q C 2.061 178.127 176.000 0.111 0.000 0.970 422 Q CA 1.185 57.006 55.803 0.029 0.000 0.855 422 Q CB -0.030 28.720 28.738 0.021 0.000 0.911 422 Q HN 0.484 nan 8.270 nan 0.000 0.438 423 K N 0.384 120.835 120.400 0.084 0.000 2.001 423 K HA -0.098 4.247 4.320 0.041 0.000 0.208 423 K C 2.337 178.981 176.600 0.073 0.000 1.048 423 K CA 1.730 58.065 56.287 0.080 0.000 0.932 423 K CB -0.409 32.131 32.500 0.067 0.000 0.715 423 K HN 0.213 nan 8.250 nan 0.000 0.437 424 S N 0.903 116.641 115.700 0.064 0.000 2.428 424 S HA 0.000 4.495 4.470 0.041 0.000 0.230 424 S C 2.125 176.760 174.600 0.058 0.000 1.014 424 S CA 0.873 59.106 58.200 0.056 0.000 0.957 424 S CB -0.083 63.148 63.200 0.052 0.000 0.784 424 S HN 0.278 nan 8.310 nan 0.000 0.499 425 A N 1.268 124.130 122.820 0.070 0.000 2.218 425 A HA 0.318 4.662 4.320 0.041 0.000 0.209 425 A C 0.916 178.568 177.584 0.113 0.000 1.168 425 A CA 0.311 52.398 52.037 0.083 0.000 0.804 425 A CB -0.946 18.102 19.000 0.081 0.000 0.834 425 A HN 0.672 nan 8.150 nan 0.000 0.482 426 N N -3.086 115.684 118.700 0.116 0.000 2.783 426 N HA -0.217 4.547 4.740 0.041 0.000 0.247 426 N C 0.251 175.846 175.510 0.142 0.000 1.089 426 N CA 0.555 53.666 53.050 0.103 0.000 0.690 426 N CB -1.370 37.153 38.487 0.059 0.000 0.991 426 N HN 0.432 nan 8.380 nan 0.000 0.552 427 F N 0.327 120.286 119.950 0.015 0.000 2.102 427 F HA -0.130 4.422 4.527 0.041 0.000 0.298 427 F C 2.354 178.161 175.800 0.012 0.000 1.105 427 F CA 2.093 60.102 58.000 0.015 0.000 1.239 427 F CB -0.481 38.535 39.000 0.026 0.000 0.991 427 F HN 0.189 nan 8.300 nan 0.000 0.474 428 T N -0.907 113.648 114.554 0.002 0.000 2.857 428 T HA -0.120 4.255 4.350 0.041 0.000 0.266 428 T C 1.832 176.470 174.700 -0.104 0.000 1.048 428 T CA 1.789 63.829 62.100 -0.101 0.000 1.139 428 T CB -0.564 68.307 68.868 0.005 0.000 0.874 428 T HN 0.292 nan 8.240 nan 0.000 0.455 429 T N 2.048 116.573 114.554 -0.048 0.000 2.770 429 T HA -0.004 4.371 4.350 0.041 0.000 0.263 429 T C 2.119 176.780 174.700 -0.064 0.000 1.039 429 T CA 0.639 62.715 62.100 -0.040 0.000 1.142 429 T CB -0.133 68.730 68.868 -0.009 0.000 0.868 429 T HN 0.285 nan 8.240 nan 0.000 0.435 430 R N 0.763 121.220 120.500 -0.072 0.000 2.091 430 R HA -0.014 4.351 4.340 0.041 0.000 0.238 430 R C 2.724 178.943 176.300 -0.136 0.000 1.136 430 R CA 1.285 57.334 56.100 -0.085 0.000 0.959 430 R CB -0.279 29.988 30.300 -0.056 0.000 0.856 430 R HN 0.285 nan 8.270 nan 0.000 0.437 431 R N 0.449 120.806 120.500 -0.238 0.000 2.096 431 R HA -0.105 4.259 4.340 0.041 0.000 0.235 431 R C 2.069 178.276 176.300 -0.157 0.000 1.127 431 R CA 1.515 57.450 56.100 -0.274 0.000 0.968 431 R CB -0.134 29.870 30.300 -0.494 0.000 0.861 431 R HN 0.222 nan 8.270 nan 0.000 0.440 432 A N 0.280 123.027 122.820 -0.122 0.000 1.970 432 A HA -0.085 4.260 4.320 0.041 0.000 0.216 432 A C 1.791 179.356 177.584 -0.032 0.000 1.170 432 A CA 1.129 53.126 52.037 -0.067 0.000 0.645 432 A CB -0.214 18.754 19.000 -0.054 0.000 0.816 432 A HN 0.429 nan 8.150 nan 0.000 0.447 433 E N -0.373 119.807 120.200 -0.033 0.000 2.152 433 E HA -0.077 4.298 4.350 0.041 0.000 0.192 433 E C 1.699 178.320 176.600 0.035 0.000 0.983 433 E CA 0.855 57.256 56.400 0.003 0.000 0.818 433 E CB -0.175 29.517 29.700 -0.014 0.000 0.758 433 E HN 0.692 nan 8.360 nan 0.000 0.467 434 I N 0.873 121.437 120.570 -0.010 0.000 2.286 434 I HA -0.211 3.984 4.170 0.041 0.000 0.245 434 I C 2.494 178.663 176.117 0.086 0.000 1.104 434 I CA 0.678 61.988 61.300 0.016 0.000 1.397 434 I CB -0.199 37.764 38.000 -0.061 0.000 1.072 434 I HN 0.069 nan 8.210 nan 0.000 0.417 435 A N 0.887 123.724 122.820 0.028 0.000 1.883 435 A HA -0.242 4.103 4.320 0.041 0.000 0.217 435 A C 2.529 180.142 177.584 0.049 0.000 1.186 435 A CA 2.165 54.216 52.037 0.024 0.000 0.624 435 A CB -0.920 18.073 19.000 -0.012 0.000 0.822 435 A HN 0.434 nan 8.150 nan 0.000 0.444 436 A N -1.910 120.947 122.820 0.060 0.000 1.873 436 A HA -0.147 4.197 4.320 0.041 0.000 0.215 436 A C 2.021 179.658 177.584 0.089 0.000 1.186 436 A CA 1.483 53.554 52.037 0.056 0.000 0.616 436 A CB -0.982 18.049 19.000 0.050 0.000 0.823 436 A HN 0.824 nan 8.150 nan 0.000 0.442 437 W N 1.386 122.663 121.300 -0.038 0.000 2.342 437 W HA -0.211 4.474 4.660 0.041 0.000 0.297 437 W C 1.827 178.323 176.519 -0.038 0.000 1.213 437 W CA 1.985 59.309 57.345 -0.035 0.000 1.251 437 W CB -0.124 29.315 29.460 -0.035 0.000 1.136 437 W HN 0.360 nan 8.180 nan 0.000 0.526 438 N N -0.098 118.755 118.700 0.255 0.000 2.120 438 N HA -0.169 4.596 4.740 0.041 0.000 0.188 438 N C 1.762 177.241 175.510 -0.052 0.000 1.024 438 N CA 2.073 55.195 53.050 0.120 0.000 0.852 438 N CB -0.994 37.563 38.487 0.116 0.000 1.003 438 N HN 0.223 nan 8.380 nan 0.000 0.424 439 S N -1.495 114.175 115.700 -0.051 0.000 2.603 439 S HA 0.086 4.581 4.470 0.041 0.000 0.220 439 S C 1.380 175.904 174.600 -0.127 0.000 0.967 439 S CA 0.395 58.548 58.200 -0.077 0.000 0.920 439 S CB -0.108 63.064 63.200 -0.047 0.000 0.773 439 S HN 0.173 nan 8.310 nan 0.000 0.529 440 T N 1.492 115.919 114.554 -0.212 0.000 3.039 440 T HA 0.215 4.590 4.350 0.041 0.000 0.250 440 T C 0.353 174.854 174.700 -0.332 0.000 1.052 440 T CA 0.167 62.102 62.100 -0.275 0.000 1.125 440 T CB -0.171 68.479 68.868 -0.363 0.000 0.908 440 T HN 0.393 nan 8.240 nan 0.000 0.473 441 N N 1.114 119.565 118.700 -0.416 0.000 2.477 441 N HA 0.568 5.333 4.740 0.041 0.000 0.284 441 N C 0.806 176.196 175.510 -0.200 0.000 1.182 441 N CA -0.776 52.053 53.050 -0.367 0.000 0.949 441 N CB 1.193 39.346 38.487 -0.557 0.000 1.204 441 N HN 0.275 nan 8.380 nan 0.000 0.526 442 R N -2.198 118.214 120.500 -0.146 0.000 2.555 442 R HA 0.295 4.660 4.340 0.041 0.000 0.312 442 R C -0.064 176.197 176.300 -0.064 0.000 0.938 442 R CA -0.021 56.025 56.100 -0.090 0.000 1.112 442 R CB -0.135 30.119 30.300 -0.077 0.000 1.535 442 R HN 0.369 nan 8.270 nan 0.000 0.525 443 T N 0.641 115.156 114.554 -0.066 0.000 3.034 443 T HA 0.381 4.756 4.350 0.041 0.000 0.248 443 T C 0.342 175.037 174.700 -0.009 0.000 1.040 443 T CA 0.274 62.352 62.100 -0.036 0.000 1.107 443 T CB 0.258 69.106 68.868 -0.034 0.000 0.932 443 T HN -0.004 nan 8.240 nan 0.000 0.474 444 L N 1.066 122.289 121.223 -0.001 0.000 2.342 444 L HA 0.824 5.188 4.340 0.041 0.000 0.271 444 L C -0.716 176.253 176.870 0.165 0.000 1.008 444 L CA -1.211 53.692 54.840 0.104 0.000 0.818 444 L CB 1.806 44.002 42.059 0.228 0.000 1.296 444 L HN 0.027 nan 8.230 nan 0.000 0.427 445 A N 2.720 125.660 122.820 0.199 0.000 2.398 445 A HA 0.735 5.079 4.320 0.041 0.000 0.301 445 A C -0.940 176.733 177.584 0.148 0.000 1.041 445 A CA -0.704 51.452 52.037 0.198 0.000 0.711 445 A CB 1.544 20.576 19.000 0.054 0.000 1.240 445 A HN 0.720 nan 8.150 nan 0.000 0.420 446 R N 0.688 121.274 120.500 0.142 0.000 2.540 446 R HA 0.678 5.043 4.340 0.041 0.000 0.287 446 R C 0.053 176.321 176.300 -0.053 0.000 0.980 446 R CA -0.300 55.765 56.100 -0.059 0.000 0.966 446 R CB 2.198 32.343 30.300 -0.258 0.000 1.106 446 R HN 0.878 nan 8.270 nan 0.000 0.480 447 G N 1.443 110.193 108.800 -0.084 0.000 2.612 447 G HA2 0.663 4.648 3.960 0.041 0.000 0.298 447 G HA3 0.663 4.648 3.960 0.041 0.000 0.298 447 G C -1.527 173.341 174.900 -0.052 0.000 1.336 447 G CA -0.493 44.564 45.100 -0.072 0.000 0.953 447 G HN 0.499 nan 8.290 nan 0.000 0.482 448 I N 0.191 120.750 120.570 -0.018 0.000 2.802 448 I HA 0.791 4.986 4.170 0.041 0.000 0.298 448 I C -0.642 175.552 176.117 0.128 0.000 1.176 448 I CA -0.872 60.457 61.300 0.049 0.000 1.025 448 I CB 2.213 40.234 38.000 0.036 0.000 1.243 448 I HN 0.876 nan 8.210 nan 0.000 0.424 449 A N 6.452 129.386 122.820 0.191 0.000 2.594 449 A HA 0.703 5.048 4.320 0.041 0.000 0.295 449 A C -2.205 175.486 177.584 0.178 0.000 1.071 449 A CA -0.530 51.636 52.037 0.216 0.000 0.685 449 A CB 1.765 20.849 19.000 0.141 0.000 1.285 449 A HN 0.750 nan 8.150 nan 0.000 0.405 450 L N 1.310 122.605 121.223 0.120 0.000 2.333 450 L HA 0.835 5.199 4.340 0.041 0.000 0.280 450 L C -0.320 176.597 176.870 0.078 0.000 1.004 450 L CA -0.120 54.712 54.840 -0.014 0.000 0.820 450 L CB 1.803 43.690 42.059 -0.287 0.000 1.247 450 L HN 0.717 nan 8.230 nan 0.000 0.416 451 S N 6.323 122.082 115.700 0.097 0.000 2.502 451 S HA 0.771 5.266 4.470 0.041 0.000 0.304 451 S C -2.770 171.918 174.600 0.146 0.000 1.097 451 S CA -1.371 56.919 58.200 0.149 0.000 1.045 451 S CB 1.636 64.927 63.200 0.152 0.000 1.019 451 S HN 0.574 nan 8.310 nan 0.000 0.481 452 P HA 0.518 nan 4.420 nan 0.000 0.287 452 P C -1.380 175.986 177.300 0.110 0.000 1.279 452 P CA -0.724 62.454 63.100 0.130 0.000 0.867 452 P CB 1.343 33.178 31.700 0.225 0.000 1.127 453 V N 2.106 122.069 119.914 0.082 0.000 2.483 453 V HA 0.404 4.549 4.120 0.041 0.000 0.297 453 V C 0.056 176.206 176.094 0.094 0.000 1.027 453 V CA -0.464 61.909 62.300 0.121 0.000 0.855 453 V CB 1.625 33.545 31.823 0.161 0.000 0.995 453 V HN 0.543 nan 8.190 nan 0.000 0.424 454 K N 5.008 125.464 120.400 0.094 0.000 2.507 454 K HA 0.545 4.890 4.320 0.041 0.000 0.253 454 K C -1.981 174.676 176.600 0.095 0.000 0.969 454 K CA -0.453 55.804 56.287 -0.050 0.000 0.908 454 K CB 1.156 33.633 32.500 -0.038 0.000 1.127 454 K HN 0.524 nan 8.250 nan 0.000 0.437 455 F N 2.736 122.626 119.950 -0.100 0.000 2.477 455 F HA 0.459 5.011 4.527 0.041 0.000 0.335 455 F C 0.215 175.906 175.800 -0.182 0.000 1.130 455 F CA -0.450 57.570 58.000 0.033 0.000 0.948 455 F CB 1.638 40.629 39.000 -0.015 0.000 1.154 455 F HN 0.634 nan 8.300 nan 0.000 0.439 456 G N 6.737 115.030 108.800 -0.844 0.000 2.378 456 G HA2 0.411 4.395 3.960 0.041 0.000 0.255 456 G HA3 0.411 4.395 3.960 0.041 0.000 0.255 456 G C -0.627 173.360 174.900 -1.523 0.000 1.270 456 G CA -0.440 43.526 45.100 -1.889 0.000 0.876 456 G HN 0.482 nan 8.290 nan 0.000 0.521 457 I N 1.095 121.035 120.570 -1.050 0.000 2.392 457 I HA 0.601 4.796 4.170 0.041 0.000 0.295 457 I C 0.488 176.393 176.117 -0.354 0.000 0.985 457 I CA -0.167 60.743 61.300 -0.650 0.000 1.221 457 I CB 0.645 38.097 38.000 -0.913 0.000 1.366 457 I HN 0.566 nan 8.210 nan 0.000 0.467 458 S N 3.744 119.304 115.700 -0.233 0.000 2.631 458 S HA 0.060 4.555 4.470 0.041 0.000 0.283 458 S C -0.816 173.674 174.600 -0.184 0.000 0.620 458 S CA -0.913 57.203 58.200 -0.140 0.000 1.350 458 S CB -0.236 62.940 63.200 -0.040 0.000 1.626 458 S HN 0.323 nan 8.310 nan 0.000 0.493 459 F N 2.291 122.181 119.950 -0.100 0.000 2.495 459 F HA 0.217 4.768 4.527 0.040 0.000 0.365 459 F C 2.256 177.975 175.800 -0.135 0.000 1.090 459 F CA 0.673 58.589 58.000 -0.139 0.000 1.235 459 F CB 0.851 39.751 39.000 -0.166 0.000 1.119 459 F HN 0.818 nan 8.300 nan 0.000 0.562 460 T N 0.765 115.342 114.554 0.038 0.000 2.962 460 T HA -0.073 4.301 4.350 0.041 0.000 0.270 460 T C 0.873 175.727 174.700 0.256 0.000 1.088 460 T CA 0.449 62.538 62.100 -0.018 0.000 1.127 460 T CB -0.023 68.851 68.868 0.011 0.000 0.883 460 T HN 0.259 nan 8.240 nan 0.000 0.493 461 L N 3.440 124.759 121.223 0.161 0.000 2.401 461 L HA 0.298 4.663 4.340 0.041 0.000 0.283 461 L C 1.230 178.051 176.870 -0.082 0.000 1.151 461 L CA 0.423 55.279 54.840 0.025 0.000 0.942 461 L CB -0.487 41.509 42.059 -0.105 0.000 1.283 461 L HN 0.330 nan 8.230 nan 0.000 0.442 462 T N 2.539 117.104 114.554 0.017 0.000 2.653 462 T HA -0.248 4.127 4.350 0.041 0.000 0.268 462 T C 1.701 176.380 174.700 -0.036 0.000 1.035 462 T CA 2.143 64.258 62.100 0.025 0.000 1.154 462 T CB -0.332 68.586 68.868 0.084 0.000 0.862 462 T HN 0.720 nan 8.240 nan 0.000 0.441 463 H N 1.197 120.264 119.070 -0.005 0.000 2.543 463 H HA 0.076 4.656 4.556 0.040 0.000 0.286 463 H C 1.764 177.047 175.328 -0.075 0.000 1.037 463 H CA 0.666 56.697 56.048 -0.029 0.000 1.250 463 H CB -0.597 29.152 29.762 -0.022 0.000 1.373 463 H HN 0.358 nan 8.280 nan 0.000 0.580 464 L N 0.827 121.811 121.223 -0.399 0.000 2.554 464 L HA 0.025 4.389 4.340 0.041 0.000 0.226 464 L C 0.653 177.315 176.870 -0.346 0.000 1.137 464 L CA 0.006 54.549 54.840 -0.494 0.000 0.863 464 L CB -0.187 41.286 42.059 -0.977 0.000 0.985 464 L HN 0.179 nan 8.230 nan 0.000 0.451 465 N N 2.764 121.415 118.700 -0.082 0.000 3.254 465 N HA 0.044 4.808 4.740 0.041 0.000 0.308 465 N C -0.371 175.107 175.510 -0.053 0.000 1.281 465 N CA 0.181 53.267 53.050 0.059 0.000 1.212 465 N CB 0.224 38.755 38.487 0.073 0.000 1.478 465 N HN 0.547 nan 8.380 nan 0.000 0.548 466 Q N -0.913 118.849 119.800 -0.063 0.000 2.379 466 Q HA 0.826 5.191 4.340 0.041 0.000 0.278 466 Q C -1.773 174.176 176.000 -0.085 0.000 1.068 466 Q CA -1.213 54.490 55.803 -0.166 0.000 0.816 466 Q CB 2.242 30.943 28.738 -0.062 0.000 1.387 466 Q HN 0.061 nan 8.270 nan 0.000 0.413 467 A N 0.656 123.366 122.820 -0.184 0.000 2.587 467 A HA 0.975 5.319 4.320 0.041 0.000 0.293 467 A C -0.945 176.643 177.584 0.007 0.000 1.087 467 A CA -0.238 51.795 52.037 -0.008 0.000 0.692 467 A CB 2.026 21.063 19.000 0.062 0.000 1.291 467 A HN 0.966 nan 8.150 nan 0.000 0.407 468 G N -0.974 107.925 108.800 0.165 0.000 2.619 468 G HA2 0.868 4.852 3.960 0.041 0.000 0.296 468 G HA3 0.868 4.852 3.960 0.041 0.000 0.296 468 G C -0.728 174.288 174.900 0.194 0.000 1.334 468 G CA 0.106 45.354 45.100 0.248 0.000 0.934 468 G HN 1.905 nan 8.290 nan 0.000 0.476 469 A N -0.245 122.680 122.820 0.176 0.000 2.566 469 A HA 0.869 5.214 4.320 0.041 0.000 0.292 469 A C -1.872 175.776 177.584 0.107 0.000 1.112 469 A CA -0.680 51.446 52.037 0.148 0.000 0.707 469 A CB 2.148 21.230 19.000 0.136 0.000 1.302 469 A HN 1.612 nan 8.150 nan 0.000 0.409 470 L N 1.065 122.336 121.223 0.081 0.000 2.476 470 L HA 0.700 5.065 4.340 0.041 0.000 0.269 470 L C -1.608 175.276 176.870 0.024 0.000 0.965 470 L CA -0.247 54.620 54.840 0.046 0.000 0.845 470 L CB 1.993 44.073 42.059 0.036 0.000 1.259 470 L HN 0.500 nan 8.230 nan 0.000 0.403 471 V N 4.473 124.390 119.914 0.005 0.000 2.540 471 V HA 0.613 4.757 4.120 0.041 0.000 0.302 471 V C -0.775 175.276 176.094 -0.073 0.000 1.035 471 V CA -0.628 61.660 62.300 -0.020 0.000 0.873 471 V CB 1.747 33.568 31.823 -0.005 0.000 0.992 471 V HN 0.693 nan 8.190 nan 0.000 0.428 472 Q N 4.780 124.497 119.800 -0.138 0.000 2.331 472 Q HA 0.623 4.988 4.340 0.041 0.000 0.267 472 Q C -0.988 174.793 176.000 -0.366 0.000 1.006 472 Q CA -0.411 55.206 55.803 -0.310 0.000 0.818 472 Q CB 2.901 31.337 28.738 -0.503 0.000 1.276 472 Q HN 0.687 nan 8.270 nan 0.000 0.450 473 I N 2.643 123.033 120.570 -0.301 0.000 2.321 473 I HA 0.326 4.521 4.170 0.041 0.000 0.291 473 I C -0.440 175.499 176.117 -0.297 0.000 0.998 473 I CA -0.869 60.315 61.300 -0.192 0.000 1.227 473 I CB 0.537 38.534 38.000 -0.005 0.000 1.368 473 I HN 0.457 nan 8.210 nan 0.000 0.466 474 Y N 2.660 122.966 120.300 0.011 0.000 2.354 474 Y HA 0.113 4.687 4.550 0.040 0.000 0.322 474 Y C 1.992 177.850 175.900 -0.069 0.000 1.253 474 Y CA -0.511 57.564 58.100 -0.041 0.000 1.272 474 Y CB 1.219 39.657 38.460 -0.037 0.000 1.255 474 Y HN 0.666 nan 8.280 nan 0.000 0.500 475 T N -3.297 111.275 114.554 0.029 0.000 2.977 475 T HA -0.199 4.176 4.350 0.041 0.000 0.271 475 T C 0.942 175.623 174.700 -0.032 0.000 1.105 475 T CA 1.405 63.446 62.100 -0.099 0.000 1.116 475 T CB -0.288 68.394 68.868 -0.311 0.000 0.878 475 T HN 0.777 nan 8.240 nan 0.000 0.509 476 D N 0.784 121.198 120.400 0.023 0.000 2.328 476 D HA 0.201 4.865 4.640 0.041 0.000 0.226 476 D C 1.680 178.033 176.300 0.090 0.000 1.066 476 D CA 0.629 54.653 54.000 0.039 0.000 0.861 476 D CB -0.567 40.247 40.800 0.024 0.000 0.912 476 D HN 0.577 nan 8.370 nan 0.000 0.521 477 G N 0.566 109.435 108.800 0.114 0.000 2.299 477 G HA2 -0.313 3.672 3.960 0.041 0.000 0.237 477 G HA3 -0.313 3.672 3.960 0.041 0.000 0.237 477 G C 0.466 175.538 174.900 0.287 0.000 1.027 477 G CA 0.417 45.643 45.100 0.210 0.000 0.619 477 G HN 0.851 nan 8.290 nan 0.000 0.513 478 S N -0.041 115.785 115.700 0.210 0.000 2.572 478 S HA 0.599 5.094 4.470 0.041 0.000 0.279 478 S C 0.157 174.890 174.600 0.221 0.000 1.341 478 S CA 0.137 58.453 58.200 0.192 0.000 1.043 478 S CB 2.191 65.479 63.200 0.148 0.000 0.887 478 S HN 1.191 nan 8.310 nan 0.000 0.516 479 V N 1.561 121.567 119.914 0.153 0.000 2.628 479 V HA 0.771 4.916 4.120 0.041 0.000 0.306 479 V C 0.240 176.393 176.094 0.098 0.000 1.045 479 V CA -0.692 61.665 62.300 0.095 0.000 0.905 479 V CB 1.492 33.346 31.823 0.051 0.000 0.997 479 V HN 1.196 nan 8.190 nan 0.000 0.436 480 A N 4.560 127.416 122.820 0.060 0.000 2.273 480 A HA 0.803 5.148 4.320 0.041 0.000 0.315 480 A C -1.059 176.535 177.584 0.015 0.000 1.256 480 A CA -0.396 51.687 52.037 0.078 0.000 0.851 480 A CB 0.827 19.939 19.000 0.188 0.000 1.172 480 A HN 0.813 nan 8.150 nan 0.000 0.508 481 L N 3.029 124.259 121.223 0.011 0.000 2.307 481 L HA 0.583 4.948 4.340 0.041 0.000 0.284 481 L C -0.515 176.360 176.870 0.008 0.000 1.023 481 L CA -0.174 54.677 54.840 0.018 0.000 0.810 481 L CB 1.268 43.345 42.059 0.030 0.000 1.231 481 L HN 0.730 nan 8.230 nan 0.000 0.423 482 N N 2.751 121.472 118.700 0.035 0.000 2.397 482 N HA 0.395 5.160 4.740 0.041 0.000 0.291 482 N C -1.609 173.950 175.510 0.081 0.000 1.065 482 N CA -0.375 52.675 53.050 -0.000 0.000 0.884 482 N CB 1.297 39.776 38.487 -0.013 0.000 1.551 482 N HN 0.964 nan 8.380 nan 0.000 0.487 483 H N -0.247 118.854 119.070 0.051 0.000 2.908 483 H HA 0.530 5.114 4.556 0.046 0.000 0.350 483 H C 0.935 176.319 175.328 0.093 0.000 1.217 483 H CA -0.648 55.445 56.048 0.076 0.000 1.168 483 H CB 0.713 30.524 29.762 0.081 0.000 1.891 483 H HN 0.369 nan 8.280 nan 0.000 0.566 484 G N -0.462 108.486 108.800 0.247 0.000 2.511 484 G HA2 0.140 4.125 3.960 0.041 0.000 0.217 484 G HA3 0.140 4.125 3.960 0.041 0.000 0.217 484 G C 0.747 175.750 174.900 0.171 0.000 1.133 484 G CA 0.167 45.365 45.100 0.165 0.000 0.792 484 G HN 0.869 nan 8.290 nan 0.000 0.539 485 G N -0.005 109.023 108.800 0.380 0.000 2.503 485 G HA2 0.443 4.428 3.960 0.041 0.000 0.257 485 G HA3 0.443 4.428 3.960 0.041 0.000 0.257 485 G C 0.024 175.006 174.900 0.135 0.000 1.214 485 G CA 0.409 45.679 45.100 0.284 0.000 0.839 485 G HN 0.396 nan 8.290 nan 0.000 0.559 486 T N -1.340 113.248 114.554 0.057 0.000 2.855 486 T HA 0.518 4.893 4.350 0.041 0.000 0.281 486 T C -0.382 174.252 174.700 -0.110 0.000 1.007 486 T CA -0.816 61.276 62.100 -0.013 0.000 1.009 486 T CB 2.238 71.110 68.868 0.006 0.000 0.983 486 T HN 0.429 nan 8.240 nan 0.000 0.455 487 E N 3.102 123.188 120.200 -0.189 0.000 2.180 487 E HA 0.299 4.673 4.350 0.041 0.000 0.283 487 E C 0.651 177.222 176.600 -0.047 0.000 1.061 487 E CA -0.519 55.761 56.400 -0.199 0.000 0.861 487 E CB 0.488 30.051 29.700 -0.227 0.000 1.056 487 E HN 0.762 nan 8.360 nan 0.000 0.407 488 M N 2.437 122.000 119.600 -0.062 0.000 2.412 488 M HA 0.454 4.958 4.480 0.041 0.000 0.315 488 M C 0.773 177.021 176.300 -0.087 0.000 1.092 488 M CA 0.292 55.538 55.300 -0.089 0.000 0.974 488 M CB 0.708 33.197 32.600 -0.185 0.000 1.437 488 M HN 0.563 nan 8.290 nan 0.000 0.524 489 G N 1.799 110.612 108.800 0.023 0.000 2.229 489 G HA2 -0.234 3.751 3.960 0.041 0.000 0.189 489 G HA3 -0.234 3.751 3.960 0.041 0.000 0.189 489 G C 0.716 175.679 174.900 0.106 0.000 1.000 489 G CA 0.265 45.399 45.100 0.056 0.000 0.663 489 G HN 0.614 nan 8.290 nan 0.000 0.493 490 Q N 1.554 121.388 119.800 0.056 0.000 2.466 490 Q HA 0.313 4.677 4.340 0.041 0.000 0.210 490 Q C 1.504 177.555 176.000 0.086 0.000 0.961 490 Q CA 1.220 57.052 55.803 0.048 0.000 0.953 490 Q CB -0.457 28.273 28.738 -0.014 0.000 1.011 490 Q HN 1.863 nan 8.270 nan 0.000 0.516 491 G N 1.930 110.834 108.800 0.172 0.000 2.221 491 G HA2 -0.302 3.683 3.960 0.041 0.000 0.265 491 G HA3 -0.302 3.683 3.960 0.041 0.000 0.265 491 G C 0.324 175.192 174.900 -0.054 0.000 1.041 491 G CA 0.464 45.599 45.100 0.058 0.000 0.807 491 G HN 0.444 nan 8.290 nan 0.000 0.502 492 L N -0.289 120.886 121.223 -0.081 0.000 2.027 492 L HA 0.088 4.453 4.340 0.041 0.000 0.206 492 L C 2.509 179.354 176.870 -0.041 0.000 1.074 492 L CA 2.686 57.470 54.840 -0.093 0.000 0.745 492 L CB -0.508 41.480 42.059 -0.119 0.000 0.898 492 L HN 0.387 nan 8.230 nan 0.000 0.433 493 H N -0.098 118.978 119.070 0.009 0.000 2.353 493 H HA 0.022 4.603 4.556 0.041 0.000 0.300 493 H C 2.199 177.490 175.328 -0.062 0.000 1.090 493 H CA 1.254 57.323 56.048 0.035 0.000 1.327 493 H CB -0.675 29.088 29.762 0.002 0.000 1.383 493 H HN 0.497 nan 8.280 nan 0.000 0.508 494 A N 1.325 124.127 122.820 -0.030 0.000 1.908 494 A HA -0.193 4.152 4.320 0.041 0.000 0.218 494 A C 2.362 179.915 177.584 -0.051 0.000 1.181 494 A CA 1.695 53.687 52.037 -0.075 0.000 0.627 494 A CB -0.297 18.621 19.000 -0.136 0.000 0.818 494 A HN 0.344 nan 8.150 nan 0.000 0.445 495 K N -1.142 119.228 120.400 -0.050 0.000 2.057 495 K HA -0.065 4.280 4.320 0.041 0.000 0.206 495 K C 2.036 178.598 176.600 -0.063 0.000 1.050 495 K CA 1.415 57.668 56.287 -0.058 0.000 0.935 495 K CB -0.228 32.238 32.500 -0.056 0.000 0.715 495 K HN 0.360 nan 8.250 nan 0.000 0.439 496 M N 0.476 120.040 119.600 -0.060 0.000 2.175 496 M HA -0.102 4.403 4.480 0.041 0.000 0.264 496 M C 2.290 178.574 176.300 -0.026 0.000 1.063 496 M CA 1.207 56.464 55.300 -0.071 0.000 1.119 496 M CB -0.742 31.777 32.600 -0.135 0.000 1.377 496 M HN -0.077 nan 8.290 nan 0.000 0.415 497 V N 0.473 120.381 119.914 -0.010 0.000 2.343 497 V HA -0.290 3.855 4.120 0.041 0.000 0.247 497 V C 2.442 178.506 176.094 -0.051 0.000 1.051 497 V CA 1.702 63.988 62.300 -0.024 0.000 1.036 497 V CB -0.790 31.017 31.823 -0.025 0.000 0.654 497 V HN 0.510 nan 8.190 nan 0.000 0.451 498 Q N -0.704 119.056 119.800 -0.067 0.000 2.050 498 Q HA -0.180 4.185 4.340 0.041 0.000 0.202 498 Q C 2.353 178.275 176.000 -0.130 0.000 0.980 498 Q CA 1.965 57.706 55.803 -0.103 0.000 0.840 498 Q CB -0.307 28.362 28.738 -0.115 0.000 0.898 498 Q HN 0.540 nan 8.270 nan 0.000 0.424 499 V N 0.778 120.634 119.914 -0.097 0.000 2.295 499 V HA -0.309 3.836 4.120 0.041 0.000 0.246 499 V C 2.230 178.325 176.094 0.001 0.000 1.049 499 V CA 1.875 64.153 62.300 -0.038 0.000 1.024 499 V CB -1.024 30.826 31.823 0.044 0.000 0.648 499 V HN 0.434 nan 8.190 nan 0.000 0.447 500 A N 0.091 122.901 122.820 -0.016 0.000 1.865 500 A HA -0.165 4.180 4.320 0.041 0.000 0.217 500 A C 2.412 179.969 177.584 -0.045 0.000 1.191 500 A CA 2.320 54.348 52.037 -0.016 0.000 0.623 500 A CB -0.982 18.009 19.000 -0.015 0.000 0.826 500 A HN 0.599 nan 8.150 nan 0.000 0.444 501 A N -0.514 122.264 122.820 -0.069 0.000 2.019 501 A HA 0.208 4.553 4.320 0.041 0.000 0.219 501 A C 2.415 179.943 177.584 -0.093 0.000 1.164 501 A CA 1.940 53.918 52.037 -0.099 0.000 0.644 501 A CB -0.825 18.118 19.000 -0.095 0.000 0.805 501 A HN 1.018 nan 8.150 nan 0.000 0.449 502 A N -0.504 122.262 122.820 -0.090 0.000 1.873 502 A HA 0.036 4.381 4.320 0.041 0.000 0.215 502 A C 2.195 179.788 177.584 0.014 0.000 1.186 502 A CA 1.709 53.696 52.037 -0.085 0.000 0.616 502 A CB -0.851 18.009 19.000 -0.235 0.000 0.823 502 A HN 0.378 nan 8.150 nan 0.000 0.442 503 V N 0.092 120.039 119.914 0.055 0.000 2.358 503 V HA -0.196 3.949 4.120 0.041 0.000 0.246 503 V C 2.435 178.519 176.094 -0.016 0.000 1.047 503 V CA 1.762 64.102 62.300 0.068 0.000 1.035 503 V CB -0.738 31.125 31.823 0.067 0.000 0.658 503 V HN 0.535 nan 8.190 nan 0.000 0.452 504 L N 0.362 121.547 121.223 -0.063 0.000 2.395 504 L HA 0.216 4.580 4.340 0.041 0.000 0.218 504 L C 1.647 178.472 176.870 -0.075 0.000 1.130 504 L CA 0.942 55.708 54.840 -0.123 0.000 0.826 504 L CB -0.622 41.329 42.059 -0.179 0.000 0.941 504 L HN 0.584 nan 8.230 nan 0.000 0.451 505 G N 1.610 110.385 108.800 -0.041 0.000 2.212 505 G HA2 -0.254 3.731 3.960 0.041 0.000 0.255 505 G HA3 -0.254 3.731 3.960 0.041 0.000 0.255 505 G C -0.003 174.854 174.900 -0.072 0.000 1.062 505 G CA 0.467 45.582 45.100 0.026 0.000 0.815 505 G HN 0.462 nan 8.290 nan 0.000 0.497 506 I N -3.835 116.625 120.570 -0.184 0.000 3.108 506 I HA 0.776 4.971 4.170 0.041 0.000 0.312 506 I C -0.246 175.790 176.117 -0.135 0.000 1.095 506 I CA -1.609 59.550 61.300 -0.234 0.000 1.000 506 I CB 1.846 39.553 38.000 -0.488 0.000 1.229 506 I HN -0.034 nan 8.210 nan 0.000 0.454 507 D N 4.062 124.403 120.400 -0.098 0.000 2.425 507 D HA 0.158 4.823 4.640 0.041 0.000 0.247 507 D C -1.604 174.655 176.300 -0.068 0.000 1.147 507 D CA -1.976 51.986 54.000 -0.063 0.000 0.879 507 D CB 1.478 42.258 40.800 -0.034 0.000 1.179 507 D HN 0.367 nan 8.370 nan 0.000 0.456 508 P HA -0.127 nan 4.420 nan 0.000 0.223 508 P C 1.562 178.838 177.300 -0.039 0.000 1.144 508 P CA 0.357 63.423 63.100 -0.055 0.000 0.783 508 P CB 0.345 32.012 31.700 -0.055 0.000 0.771 509 V N 0.607 120.503 119.914 -0.030 0.000 2.407 509 V HA -0.223 3.922 4.120 0.041 0.000 0.248 509 V C 2.676 178.765 176.094 -0.008 0.000 1.055 509 V CA 1.693 63.982 62.300 -0.017 0.000 1.049 509 V CB -1.167 30.650 31.823 -0.010 0.000 0.662 509 V HN 0.147 nan 8.190 nan 0.000 0.455 510 Q N -0.282 119.511 119.800 -0.011 0.000 2.364 510 Q HA -0.003 4.362 4.340 0.041 0.000 0.207 510 Q C 0.611 176.619 176.000 0.014 0.000 0.970 510 Q CA 0.606 56.415 55.803 0.009 0.000 0.888 510 Q CB -0.101 28.635 28.738 -0.004 0.000 0.951 510 Q HN 0.508 nan 8.270 nan 0.000 0.469 511 V N 1.855 121.763 119.914 -0.010 0.000 2.383 511 V HA 0.276 4.421 4.120 0.041 0.000 0.275 511 V C 0.016 176.108 176.094 -0.004 0.000 1.036 511 V CA -0.691 61.606 62.300 -0.005 0.000 0.889 511 V CB 1.455 33.264 31.823 -0.024 0.000 0.985 511 V HN 0.042 nan 8.190 nan 0.000 0.459 512 R N 4.439 124.944 120.500 0.009 0.000 2.387 512 R HA 0.609 4.974 4.340 0.041 0.000 0.314 512 R C -0.955 175.327 176.300 -0.031 0.000 0.958 512 R CA -0.497 55.599 56.100 -0.008 0.000 0.846 512 R CB 1.315 31.622 30.300 0.011 0.000 1.147 512 R HN 0.645 nan 8.270 nan 0.000 0.447 513 I N 3.414 123.937 120.570 -0.078 0.000 2.519 513 I HA 0.348 4.542 4.170 0.041 0.000 0.287 513 I C -0.447 175.564 176.117 -0.176 0.000 1.047 513 I CA 0.535 61.739 61.300 -0.161 0.000 1.381 513 I CB 1.433 39.258 38.000 -0.293 0.000 1.417 513 I HN 0.900 nan 8.210 nan 0.000 0.540 514 T N 4.518 118.958 114.554 -0.191 0.000 2.912 514 T HA 0.839 5.214 4.350 0.041 0.000 0.288 514 T C -0.093 174.498 174.700 -0.182 0.000 1.030 514 T CA -0.695 61.323 62.100 -0.137 0.000 1.020 514 T CB 1.314 70.144 68.868 -0.063 0.000 1.056 514 T HN 0.862 nan 8.240 nan 0.000 0.480 515 A N 2.194 124.950 122.820 -0.107 0.000 2.520 515 A HA 0.457 4.802 4.320 0.041 0.000 0.235 515 A C 0.840 178.387 177.584 -0.062 0.000 1.065 515 A CA -0.313 51.684 52.037 -0.066 0.000 0.764 515 A CB -0.675 18.318 19.000 -0.012 0.000 1.002 515 A HN 0.921 nan 8.150 nan 0.000 0.502 516 T N 2.467 117.000 114.554 -0.034 0.000 2.853 516 T HA 0.274 4.649 4.350 0.041 0.000 0.298 516 T C -0.296 174.391 174.700 -0.021 0.000 0.978 516 T CA 0.425 62.501 62.100 -0.040 0.000 1.152 516 T CB 0.115 68.976 68.868 -0.011 0.000 0.914 516 T HN 0.603 nan 8.240 nan 0.000 0.539 517 D N 1.896 122.283 120.400 -0.022 0.000 2.788 517 D HA 0.172 4.837 4.640 0.041 0.000 0.247 517 D C 1.244 177.540 176.300 -0.006 0.000 1.236 517 D CA -0.448 53.541 54.000 -0.018 0.000 0.898 517 D CB 1.797 42.587 40.800 -0.016 0.000 1.401 517 D HN 0.538 nan 8.370 nan 0.000 0.549 518 T N -0.429 114.117 114.554 -0.013 0.000 3.007 518 T HA -0.136 4.239 4.350 0.041 0.000 0.270 518 T C 1.635 176.342 174.700 0.011 0.000 1.107 518 T CA 1.357 63.457 62.100 0.001 0.000 1.118 518 T CB -0.030 68.824 68.868 -0.023 0.000 0.889 518 T HN 0.250 nan 8.240 nan 0.000 0.506 519 S N 0.633 116.333 115.700 0.000 0.000 2.496 519 S HA 0.173 4.667 4.470 0.041 0.000 0.224 519 S C 1.825 176.434 174.600 0.015 0.000 0.996 519 S CA -0.131 58.074 58.200 0.009 0.000 0.927 519 S CB -0.141 63.057 63.200 -0.004 0.000 0.774 519 S HN 0.580 nan 8.310 nan 0.000 0.524 520 K N 0.447 120.855 120.400 0.014 0.000 2.121 520 K HA 0.274 4.619 4.320 0.041 0.000 0.203 520 K C -0.288 176.332 176.600 0.034 0.000 1.041 520 K CA 0.595 56.894 56.287 0.019 0.000 0.969 520 K CB 0.214 32.720 32.500 0.011 0.000 0.799 520 K HN 0.162 nan 8.250 nan 0.000 0.456 521 V N 4.656 124.595 119.914 0.042 0.000 2.326 521 V HA 0.248 4.393 4.120 0.041 0.000 0.281 521 V C -2.471 173.669 176.094 0.075 0.000 1.015 521 V CA -1.864 60.478 62.300 0.070 0.000 0.823 521 V CB 1.126 33.004 31.823 0.091 0.000 1.009 521 V HN 0.143 nan 8.190 nan 0.000 0.436 522 P HA 0.390 nan 4.420 nan 0.000 0.282 522 P C -0.222 177.141 177.300 0.106 0.000 1.259 522 P CA -0.411 62.738 63.100 0.081 0.000 0.826 522 P CB 0.716 32.457 31.700 0.068 0.000 1.064 523 N N -1.939 116.829 118.700 0.114 0.000 2.754 523 N HA -0.111 4.654 4.740 0.041 0.000 0.248 523 N C 0.086 175.683 175.510 0.145 0.000 1.093 523 N CA 1.184 54.314 53.050 0.132 0.000 0.699 523 N CB -2.358 36.199 38.487 0.117 0.000 1.016 523 N HN 0.689 nan 8.380 nan 0.000 0.552 524 T N -2.952 111.688 114.554 0.143 0.000 2.860 524 T HA 0.470 4.845 4.350 0.041 0.000 0.299 524 T C 0.839 175.624 174.700 0.141 0.000 1.045 524 T CA -0.355 61.829 62.100 0.140 0.000 1.071 524 T CB 1.651 70.600 68.868 0.134 0.000 0.985 524 T HN 0.107 nan 8.240 nan 0.000 0.537 525 S N 0.572 116.277 115.700 0.010 0.000 2.681 525 S HA 0.646 5.141 4.470 0.041 0.000 0.270 525 S C 0.586 174.937 174.600 -0.414 0.000 1.209 525 S CA -0.642 57.420 58.200 -0.230 0.000 0.988 525 S CB 0.598 63.546 63.200 -0.421 0.000 1.006 525 S HN 1.131 nan 8.310 nan 0.000 0.558 526 A N 1.100 123.361 122.820 -0.931 0.000 2.462 526 A HA 0.367 4.712 4.320 0.041 0.000 0.243 526 A C 0.392 177.924 177.584 -0.087 0.000 1.076 526 A CA -0.274 51.369 52.037 -0.657 0.000 0.773 526 A CB -0.333 18.320 19.000 -0.577 0.000 1.010 526 A HN 0.668 nan 8.150 nan 0.000 0.493 527 T N 2.417 116.963 114.554 -0.014 0.000 3.462 527 T HA 0.465 4.840 4.350 0.041 0.000 0.257 527 T C 0.423 175.138 174.700 0.025 0.000 1.015 527 T CA 0.841 62.966 62.100 0.041 0.000 1.135 527 T CB -0.841 68.041 68.868 0.023 0.000 1.061 527 T HN 1.034 nan 8.240 nan 0.000 0.772 528 A N 1.650 124.508 122.820 0.063 0.000 2.525 528 A HA 0.914 5.258 4.320 0.041 0.000 0.291 528 A C 0.889 178.213 177.584 -0.434 0.000 1.268 528 A CA -0.360 51.614 52.037 -0.104 0.000 0.712 528 A CB 0.179 19.164 19.000 -0.025 0.000 1.320 528 A HN 1.304 nan 8.150 nan 0.000 0.456 529 A N -1.221 121.252 122.820 -0.578 0.000 2.799 529 A HA -0.045 4.300 4.320 0.041 0.000 0.274 529 A C 1.244 178.618 177.584 -0.350 0.000 1.393 529 A CA 1.974 53.623 52.037 -0.645 0.000 0.909 529 A CB -2.492 15.701 19.000 -1.344 0.000 1.012 529 A HN 2.441 nan 8.150 nan 0.000 0.653 530 S N -3.300 112.268 115.700 -0.219 0.000 3.011 530 S HA -0.347 4.148 4.470 0.041 0.000 0.278 530 S C 1.241 175.779 174.600 -0.102 0.000 1.300 530 S CA 2.193 60.320 58.200 -0.122 0.000 1.248 530 S CB -2.510 60.643 63.200 -0.078 0.000 1.517 530 S HN 2.523 nan 8.310 nan 0.000 0.685 531 S N 0.976 116.575 115.700 -0.168 0.000 2.607 531 S HA 0.275 4.770 4.470 0.041 0.000 0.224 531 S C 1.963 176.565 174.600 0.004 0.000 0.969 531 S CA 0.737 58.891 58.200 -0.077 0.000 0.927 531 S CB -0.506 62.628 63.200 -0.109 0.000 0.772 531 S HN 0.874 nan 8.310 nan 0.000 0.533 532 G N 2.440 111.235 108.800 -0.009 0.000 2.628 532 G HA2 -0.161 3.824 3.960 0.041 0.000 0.217 532 G HA3 -0.161 3.824 3.960 0.041 0.000 0.217 532 G C 1.687 176.579 174.900 -0.013 0.000 1.240 532 G CA 1.098 46.207 45.100 0.014 0.000 0.792 532 G HN 0.802 nan 8.290 nan 0.000 0.593 533 A N 0.381 123.181 122.820 -0.032 0.000 1.972 533 A HA -0.008 4.337 4.320 0.041 0.000 0.219 533 A C 2.089 179.645 177.584 -0.047 0.000 1.169 533 A CA 2.216 54.219 52.037 -0.056 0.000 0.635 533 A CB -0.485 18.493 19.000 -0.037 0.000 0.810 533 A HN 0.353 nan 8.150 nan 0.000 0.446 534 D N -0.403 119.990 120.400 -0.012 0.000 2.087 534 D HA -0.147 4.517 4.640 0.041 0.000 0.192 534 D C 2.121 178.378 176.300 -0.072 0.000 0.993 534 D CA 1.860 55.856 54.000 -0.006 0.000 0.828 534 D CB -0.185 40.657 40.800 0.068 0.000 0.968 534 D HN 0.488 nan 8.370 nan 0.000 0.448 535 M N -0.436 119.167 119.600 0.005 0.000 2.357 535 M HA 0.026 4.530 4.480 0.041 0.000 0.266 535 M C 1.601 177.894 176.300 -0.012 0.000 1.095 535 M CA 0.503 55.842 55.300 0.065 0.000 1.156 535 M CB -0.022 32.706 32.600 0.214 0.000 1.365 535 M HN -0.045 nan 8.290 nan 0.000 0.447 536 N N 0.906 119.590 118.700 -0.026 0.000 2.270 536 N HA -0.059 4.705 4.740 0.041 0.000 0.181 536 N C 1.852 177.284 175.510 -0.129 0.000 1.016 536 N CA 1.459 54.470 53.050 -0.065 0.000 0.870 536 N CB -0.350 38.059 38.487 -0.130 0.000 0.979 536 N HN 0.422 nan 8.380 nan 0.000 0.431 537 G N 1.943 110.659 108.800 -0.140 0.000 2.459 537 G HA2 -0.230 3.755 3.960 0.041 0.000 0.217 537 G HA3 -0.230 3.755 3.960 0.041 0.000 0.217 537 G C 1.577 176.396 174.900 -0.133 0.000 1.183 537 G CA 0.660 45.692 45.100 -0.114 0.000 0.776 537 G HN 0.127 nan 8.290 nan 0.000 0.552 538 M N 1.181 120.625 119.600 -0.259 0.000 2.086 538 M HA 0.008 4.513 4.480 0.041 0.000 0.261 538 M C 3.058 179.269 176.300 -0.148 0.000 1.067 538 M CA 1.413 56.498 55.300 -0.358 0.000 1.116 538 M CB -1.411 30.602 32.600 -0.978 0.000 1.348 538 M HN 0.327 nan 8.290 nan 0.000 0.407 539 A N -0.189 122.591 122.820 -0.068 0.000 1.908 539 A HA -0.091 4.254 4.320 0.041 0.000 0.218 539 A C 2.468 180.073 177.584 0.036 0.000 1.181 539 A CA 1.873 53.928 52.037 0.030 0.000 0.627 539 A CB -0.992 18.045 19.000 0.060 0.000 0.818 539 A HN 0.306 nan 8.150 nan 0.000 0.445 540 V N 0.430 120.348 119.914 0.008 0.000 2.307 540 V HA -0.272 3.872 4.120 0.041 0.000 0.245 540 V C 2.555 178.656 176.094 0.012 0.000 1.045 540 V CA 2.352 64.663 62.300 0.018 0.000 1.024 540 V CB -0.679 31.142 31.823 -0.003 0.000 0.651 540 V HN 0.745 nan 8.190 nan 0.000 0.449 541 K N 0.265 120.661 120.400 -0.006 0.000 2.103 541 K HA -0.305 4.039 4.320 0.041 0.000 0.207 541 K C 1.882 178.474 176.600 -0.013 0.000 1.048 541 K CA 2.351 58.632 56.287 -0.010 0.000 0.930 541 K CB -0.333 32.132 32.500 -0.059 0.000 0.716 541 K HN 0.524 nan 8.250 nan 0.000 0.444 542 D N -0.113 120.286 120.400 -0.001 0.000 2.117 542 D HA -0.103 4.561 4.640 0.041 0.000 0.197 542 D C 1.738 178.056 176.300 0.029 0.000 0.987 542 D CA 1.541 55.556 54.000 0.024 0.000 0.829 542 D CB -0.066 40.775 40.800 0.067 0.000 0.961 542 D HN 0.351 nan 8.370 nan 0.000 0.460 543 A N -0.524 122.317 122.820 0.036 0.000 1.930 543 A HA -0.137 4.207 4.320 0.041 0.000 0.217 543 A C 2.535 180.123 177.584 0.008 0.000 1.175 543 A CA 1.441 53.496 52.037 0.030 0.000 0.627 543 A CB -0.888 18.136 19.000 0.040 0.000 0.815 543 A HN 0.496 nan 8.150 nan 0.000 0.443 544 C N -0.925 118.377 119.300 0.002 0.000 2.457 544 C HA -0.010 4.475 4.460 0.041 0.000 0.278 544 C C 2.584 177.551 174.990 -0.038 0.000 1.309 544 C CA 0.948 59.957 59.018 -0.015 0.000 1.735 544 C CB -1.170 26.564 27.740 -0.011 0.000 1.992 544 C HN 0.676 nan 8.230 nan 0.000 0.493 545 E N 0.468 120.649 120.200 -0.031 0.000 2.150 545 E HA -0.156 4.218 4.350 0.041 0.000 0.193 545 E C 2.085 178.662 176.600 -0.039 0.000 0.985 545 E CA 1.531 57.905 56.400 -0.043 0.000 0.814 545 E CB -0.113 29.569 29.700 -0.030 0.000 0.752 545 E HN 0.610 nan 8.360 nan 0.000 0.466 546 T N 1.200 115.742 114.554 -0.019 0.000 2.746 546 T HA -0.114 4.260 4.350 0.041 0.000 0.267 546 T C 1.910 176.595 174.700 -0.024 0.000 1.039 546 T CA 0.783 62.876 62.100 -0.012 0.000 1.142 546 T CB -0.124 68.746 68.868 0.003 0.000 0.866 546 T HN 0.088 nan 8.240 nan 0.000 0.444 547 L N 0.242 121.447 121.223 -0.031 0.000 2.027 547 L HA -0.004 4.360 4.340 0.041 0.000 0.206 547 L C 2.999 179.823 176.870 -0.077 0.000 1.074 547 L CA 1.138 55.958 54.840 -0.035 0.000 0.745 547 L CB -0.431 41.619 42.059 -0.014 0.000 0.898 547 L HN 0.094 nan 8.230 nan 0.000 0.433 548 R N 0.241 120.653 120.500 -0.148 0.000 2.105 548 R HA -0.151 4.214 4.340 0.041 0.000 0.239 548 R C 2.180 178.332 176.300 -0.247 0.000 1.135 548 R CA 1.546 57.428 56.100 -0.363 0.000 0.967 548 R CB -0.527 29.531 30.300 -0.403 0.000 0.861 548 R HN 0.449 nan 8.270 nan 0.000 0.442 549 G N 0.531 109.268 108.800 -0.104 0.000 2.421 549 G HA2 -0.264 3.721 3.960 0.041 0.000 0.216 549 G HA3 -0.264 3.721 3.960 0.041 0.000 0.216 549 G C 1.510 176.422 174.900 0.020 0.000 1.171 549 G CA 0.484 45.571 45.100 -0.023 0.000 0.775 549 G HN 0.314 nan 8.290 nan 0.000 0.543 550 R N -0.252 120.253 120.500 0.009 0.000 2.083 550 R HA 0.016 4.381 4.340 0.041 0.000 0.237 550 R C 2.669 179.029 176.300 0.100 0.000 1.137 550 R CA 1.218 57.340 56.100 0.036 0.000 0.951 550 R CB -0.492 29.809 30.300 0.003 0.000 0.851 550 R HN 0.338 nan 8.270 nan 0.000 0.434 551 L N -0.136 121.151 121.223 0.106 0.000 2.056 551 L HA -0.115 4.250 4.340 0.041 0.000 0.207 551 L C 2.712 179.815 176.870 0.388 0.000 1.078 551 L CA 1.133 56.130 54.840 0.261 0.000 0.749 551 L CB -0.605 41.623 42.059 0.282 0.000 0.901 551 L HN 0.248 nan 8.230 nan 0.000 0.433 552 A N 0.513 123.544 122.820 0.352 0.000 1.902 552 A HA -0.144 4.201 4.320 0.041 0.000 0.217 552 A C 2.412 180.104 177.584 0.179 0.000 1.181 552 A CA 1.832 54.085 52.037 0.359 0.000 0.623 552 A CB -1.307 17.883 19.000 0.317 0.000 0.818 552 A HN 0.442 nan 8.150 nan 0.000 0.443 553 G N -1.115 107.771 108.800 0.144 0.000 2.418 553 G HA2 -0.209 3.776 3.960 0.041 0.000 0.217 553 G HA3 -0.209 3.776 3.960 0.041 0.000 0.217 553 G C 1.451 176.413 174.900 0.103 0.000 1.158 553 G CA 1.207 46.367 45.100 0.100 0.000 0.771 553 G HN 0.565 nan 8.290 nan 0.000 0.545 554 F N 1.604 121.557 119.950 0.004 0.000 2.075 554 F HA -0.074 4.478 4.527 0.042 0.000 0.297 554 F C 2.585 178.350 175.800 -0.057 0.000 1.113 554 F CA 1.549 59.530 58.000 -0.032 0.000 1.218 554 F CB -0.568 38.404 39.000 -0.047 0.000 0.984 554 F HN -0.001 nan 8.300 nan 0.000 0.472 555 V N 1.178 120.822 119.914 -0.450 0.000 2.287 555 V HA -0.306 3.838 4.120 0.041 0.000 0.248 555 V C 2.884 178.770 176.094 -0.345 0.000 1.053 555 V CA 1.945 63.891 62.300 -0.589 0.000 1.027 555 V CB -1.811 29.822 31.823 -0.317 0.000 0.646 555 V HN 0.540 nan 8.190 nan 0.000 0.447 556 A N -0.039 122.690 122.820 -0.151 0.000 1.908 556 A HA -0.151 4.194 4.320 0.041 0.000 0.218 556 A C 2.417 179.946 177.584 -0.093 0.000 1.181 556 A CA 2.300 54.293 52.037 -0.074 0.000 0.627 556 A CB -0.776 18.219 19.000 -0.009 0.000 0.818 556 A HN 0.587 nan 8.150 nan 0.000 0.445 557 A N -0.762 121.990 122.820 -0.115 0.000 1.855 557 A HA -0.136 4.209 4.320 0.041 0.000 0.215 557 A C 2.303 179.803 177.584 -0.141 0.000 1.191 557 A CA 1.535 53.516 52.037 -0.093 0.000 0.613 557 A CB -0.528 18.442 19.000 -0.049 0.000 0.829 557 A HN 0.408 nan 8.150 nan 0.000 0.442 558 R N -0.411 119.920 120.500 -0.283 0.000 2.096 558 R HA -0.097 4.268 4.340 0.041 0.000 0.235 558 R C 1.094 177.283 176.300 -0.186 0.000 1.127 558 R CA 1.505 57.427 56.100 -0.295 0.000 0.968 558 R CB -0.140 29.799 30.300 -0.602 0.000 0.861 558 R HN 0.476 nan 8.270 nan 0.000 0.440 559 E N -0.859 119.237 120.200 -0.173 0.000 2.472 559 E HA 0.088 4.462 4.350 0.041 0.000 0.196 559 E C 0.235 176.819 176.600 -0.028 0.000 1.033 559 E CA 0.534 56.899 56.400 -0.057 0.000 0.886 559 E CB 0.409 30.108 29.700 -0.002 0.000 0.944 559 E HN 0.474 nan 8.360 nan 0.000 0.492 560 G N 2.133 110.905 108.800 -0.046 0.000 2.540 560 G HA2 -0.234 3.750 3.960 0.041 0.000 0.260 560 G HA3 -0.234 3.750 3.960 0.041 0.000 0.260 560 G C 0.277 175.171 174.900 -0.011 0.000 0.993 560 G CA 0.255 45.341 45.100 -0.024 0.000 1.327 560 G HN 0.428 nan 8.290 nan 0.000 0.485 561 C N -1.195 118.099 119.300 -0.011 0.000 3.271 561 C HA 0.953 5.437 4.460 0.041 0.000 0.353 561 C C 0.556 175.550 174.990 0.007 0.000 1.510 561 C CA -0.417 58.602 59.018 0.002 0.000 1.149 561 C CB 1.023 28.769 27.740 0.010 0.000 1.713 561 C HN 2.495 nan 8.230 nan 0.000 0.421 562 A N 0.519 123.349 122.820 0.017 0.000 2.331 562 A HA 0.720 5.065 4.320 0.041 0.000 0.283 562 A C 1.286 178.892 177.584 0.038 0.000 1.142 562 A CA 0.431 52.483 52.037 0.024 0.000 0.812 562 A CB 0.546 19.562 19.000 0.026 0.000 1.074 562 A HN 2.458 nan 8.150 nan 0.000 0.497 563 A N 2.363 125.210 122.820 0.044 0.000 1.978 563 A HA -0.181 4.164 4.320 0.041 0.000 0.220 563 A C 2.052 179.692 177.584 0.094 0.000 1.170 563 A CA 1.752 53.831 52.037 0.070 0.000 0.636 563 A CB -0.435 18.605 19.000 0.067 0.000 0.810 563 A HN 0.965 nan 8.150 nan 0.000 0.448 564 R N -0.989 119.554 120.500 0.072 0.000 2.280 564 R HA -0.014 4.351 4.340 0.041 0.000 0.207 564 R C 0.066 176.414 176.300 0.081 0.000 1.043 564 R CA 1.338 57.484 56.100 0.077 0.000 1.006 564 R CB -0.301 30.031 30.300 0.053 0.000 0.885 564 R HN 0.249 nan 8.270 nan 0.000 0.467 565 D N 1.059 121.502 120.400 0.071 0.000 2.339 565 D HA 0.076 4.740 4.640 0.041 0.000 0.217 565 D C -0.255 176.088 176.300 0.072 0.000 1.050 565 D CA 0.232 54.269 54.000 0.062 0.000 0.856 565 D CB 0.743 41.569 40.800 0.043 0.000 0.922 565 D HN 0.007 nan 8.370 nan 0.000 0.518 566 V N 2.625 122.601 119.914 0.104 0.000 2.385 566 V HA 0.231 4.375 4.120 0.041 0.000 0.269 566 V C 0.506 176.681 176.094 0.135 0.000 1.043 566 V CA -0.541 61.816 62.300 0.095 0.000 0.906 566 V CB 1.032 32.930 31.823 0.126 0.000 0.995 566 V HN -0.072 nan 8.190 nan 0.000 0.467 567 I N 5.032 125.627 120.570 0.042 0.000 2.331 567 I HA 0.410 4.605 4.170 0.041 0.000 0.292 567 I C -0.653 175.463 176.117 -0.003 0.000 0.998 567 I CA -0.059 61.294 61.300 0.087 0.000 1.267 567 I CB 0.683 38.718 38.000 0.058 0.000 1.386 567 I HN 0.356 nan 8.210 nan 0.000 0.476 568 F N 4.388 124.404 119.950 0.110 0.000 2.332 568 F HA 0.440 4.992 4.527 0.041 0.000 0.368 568 F C -0.119 175.727 175.800 0.076 0.000 1.110 568 F CA -0.447 57.630 58.000 0.128 0.000 1.087 568 F CB 1.015 40.102 39.000 0.145 0.000 1.235 568 F HN 0.448 nan 8.300 nan 0.000 0.470 569 D N 1.593 122.097 120.400 0.174 0.000 2.886 569 D HA 0.528 5.193 4.640 0.041 0.000 0.216 569 D C -0.263 176.076 176.300 0.064 0.000 1.256 569 D CA -0.051 54.009 54.000 0.101 0.000 0.844 569 D CB 1.672 42.517 40.800 0.074 0.000 1.669 569 D HN 0.660 nan 8.370 nan 0.000 0.513 570 A N 2.584 125.424 122.820 0.034 0.000 2.832 570 A HA 0.170 4.515 4.320 0.041 0.000 0.280 570 A C 1.586 179.187 177.584 0.028 0.000 1.464 570 A CA 1.830 53.878 52.037 0.017 0.000 0.804 570 A CB -2.220 16.790 19.000 0.016 0.000 1.020 570 A HN 2.026 nan 8.150 nan 0.000 0.563 571 G N -2.829 105.988 108.800 0.029 0.000 2.168 571 G HA2 -0.217 3.767 3.960 0.041 0.000 0.263 571 G HA3 -0.217 3.767 3.960 0.041 0.000 0.263 571 G C -0.119 174.877 174.900 0.160 0.000 0.977 571 G CA 0.957 46.097 45.100 0.067 0.000 0.659 571 G HN 1.445 nan 8.290 nan 0.000 0.533 572 Q N -0.364 119.516 119.800 0.133 0.000 2.342 572 Q HA 0.670 5.035 4.340 0.041 0.000 0.267 572 Q C -0.228 175.833 176.000 0.102 0.000 1.038 572 Q CA -0.671 55.208 55.803 0.126 0.000 0.832 572 Q CB 2.747 31.523 28.738 0.063 0.000 1.323 572 Q HN 0.241 nan 8.270 nan 0.000 0.448 573 V N 1.746 121.716 119.914 0.093 0.000 2.581 573 V HA 0.436 4.580 4.120 0.041 0.000 0.303 573 V C -0.491 175.641 176.094 0.064 0.000 1.041 573 V CA -0.659 61.583 62.300 -0.096 0.000 0.907 573 V CB 1.906 33.595 31.823 -0.223 0.000 0.994 573 V HN 0.689 nan 8.190 nan 0.000 0.442 574 Q N 1.897 121.684 119.800 -0.020 0.000 2.274 574 Q HA 0.774 5.139 4.340 0.041 0.000 0.268 574 Q C -1.082 174.962 176.000 0.074 0.000 1.015 574 Q CA -0.301 55.525 55.803 0.037 0.000 0.775 574 Q CB 2.166 30.894 28.738 -0.017 0.000 1.256 574 Q HN 1.038 nan 8.270 nan 0.000 0.442 575 A N 1.641 124.566 122.820 0.175 0.000 2.513 575 A HA 0.623 4.968 4.320 0.041 0.000 0.296 575 A C -0.283 177.378 177.584 0.128 0.000 1.052 575 A CA -0.312 51.814 52.037 0.149 0.000 0.714 575 A CB 1.432 20.526 19.000 0.156 0.000 1.279 575 A HN 0.711 nan 8.150 nan 0.000 0.397 576 S N 0.656 116.391 115.700 0.059 0.000 3.698 576 S HA -0.069 4.426 4.470 0.041 0.000 0.338 576 S C 1.636 176.226 174.600 -0.015 0.000 1.089 576 S CA 1.887 60.105 58.200 0.031 0.000 0.991 576 S CB -1.450 61.785 63.200 0.057 0.000 0.909 576 S HN 2.889 nan 8.310 nan 0.000 0.485 577 G N -0.305 108.472 108.800 -0.039 0.000 2.220 577 G HA2 -0.359 3.625 3.960 0.041 0.000 0.269 577 G HA3 -0.359 3.625 3.960 0.041 0.000 0.269 577 G C -0.025 174.782 174.900 -0.155 0.000 0.977 577 G CA 1.124 46.178 45.100 -0.077 0.000 0.634 577 G HN 0.692 nan 8.290 nan 0.000 0.539 578 K N 0.505 120.767 120.400 -0.231 0.000 2.095 578 K HA 0.658 5.003 4.320 0.041 0.000 0.252 578 K C -0.030 176.135 176.600 -0.724 0.000 0.977 578 K CA 0.119 56.096 56.287 -0.516 0.000 0.900 578 K CB 1.524 33.641 32.500 -0.639 0.000 1.060 578 K HN 0.408 nan 8.250 nan 0.000 0.449 579 S N 0.403 115.554 115.700 -0.914 0.000 2.575 579 S HA 0.526 5.021 4.470 0.041 0.000 0.278 579 S C -1.173 173.016 174.600 -0.684 0.000 1.139 579 S CA -1.152 56.672 58.200 -0.626 0.000 0.954 579 S CB 0.870 63.908 63.200 -0.269 0.000 1.054 579 S HN 0.541 nan 8.310 nan 0.000 0.483 580 W N 0.997 122.276 121.300 -0.036 0.000 2.850 580 W HA 0.536 5.221 4.660 0.041 0.000 0.349 580 W C 0.377 176.903 176.519 0.012 0.000 1.133 580 W CA -1.083 56.255 57.345 -0.012 0.000 1.117 580 W CB 1.591 31.042 29.460 -0.014 0.000 1.442 580 W HN 0.494 nan 8.180 nan 0.000 0.575 581 R N 0.392 121.062 120.500 0.282 0.000 2.560 581 R HA 0.136 4.500 4.340 0.041 0.000 0.270 581 R C 1.169 177.630 176.300 0.268 0.000 1.074 581 R CA -0.593 55.645 56.100 0.230 0.000 1.140 581 R CB 0.618 31.023 30.300 0.175 0.000 1.073 581 R HN 0.386 nan 8.270 nan 0.000 0.527 582 F N 1.926 121.953 119.950 0.128 0.000 2.120 582 F HA -0.263 4.288 4.527 0.040 0.000 0.300 582 F C 2.047 177.922 175.800 0.124 0.000 1.095 582 F CA 2.161 60.246 58.000 0.141 0.000 1.249 582 F CB -0.290 38.797 39.000 0.146 0.000 0.995 582 F HN 0.681 nan 8.300 nan 0.000 0.480 583 A N -0.120 122.802 122.820 0.170 0.000 1.908 583 A HA -0.235 4.110 4.320 0.041 0.000 0.218 583 A C 2.134 179.719 177.584 0.002 0.000 1.181 583 A CA 1.954 54.029 52.037 0.062 0.000 0.627 583 A CB -0.905 18.162 19.000 0.112 0.000 0.818 583 A HN 0.564 nan 8.150 nan 0.000 0.445 584 E N -0.551 119.683 120.200 0.057 0.000 2.077 584 E HA -0.160 4.215 4.350 0.041 0.000 0.193 584 E C 1.852 178.429 176.600 -0.039 0.000 0.989 584 E CA 1.094 57.529 56.400 0.059 0.000 0.800 584 E CB -0.189 29.621 29.700 0.183 0.000 0.746 584 E HN 0.535 nan 8.360 nan 0.000 0.452 585 I N 0.582 121.094 120.570 -0.095 0.000 2.286 585 I HA -0.178 4.017 4.170 0.041 0.000 0.245 585 I C 2.412 178.448 176.117 -0.134 0.000 1.104 585 I CA 0.854 62.067 61.300 -0.145 0.000 1.397 585 I CB -0.890 37.017 38.000 -0.155 0.000 1.072 585 I HN 0.004 nan 8.210 nan 0.000 0.417 586 V N 1.484 121.243 119.914 -0.258 0.000 2.261 586 V HA -0.278 3.867 4.120 0.041 0.000 0.246 586 V C 2.858 178.875 176.094 -0.129 0.000 1.047 586 V CA 1.918 64.066 62.300 -0.254 0.000 1.015 586 V CB -1.163 30.462 31.823 -0.331 0.000 0.642 586 V HN 0.447 nan 8.190 nan 0.000 0.446 587 A N 0.038 122.815 122.820 -0.072 0.000 1.892 587 A HA -0.215 4.130 4.320 0.041 0.000 0.218 587 A C 2.427 180.021 177.584 0.017 0.000 1.188 587 A CA 2.495 54.535 52.037 0.004 0.000 0.631 587 A CB -0.946 18.061 19.000 0.011 0.000 0.822 587 A HN 0.616 nan 8.150 nan 0.000 0.447 588 A N -0.428 122.371 122.820 -0.034 0.000 1.933 588 A HA 0.165 4.510 4.320 0.041 0.000 0.218 588 A C 2.468 179.854 177.584 -0.329 0.000 1.175 588 A CA 2.103 54.121 52.037 -0.032 0.000 0.628 588 A CB -0.918 18.143 19.000 0.102 0.000 0.814 588 A HN 1.117 nan 8.150 nan 0.000 0.444 589 A N -1.630 120.831 122.820 -0.597 0.000 1.968 589 A HA -0.008 4.336 4.320 0.041 0.000 0.217 589 A C 2.069 179.347 177.584 -0.510 0.000 1.169 589 A CA 1.491 52.888 52.037 -1.066 0.000 0.638 589 A CB -0.693 17.851 19.000 -0.761 0.000 0.812 589 A HN 0.747 nan 8.150 nan 0.000 0.446 590 Y N 0.248 120.346 120.300 -0.337 0.000 2.114 590 Y HA -0.221 4.355 4.550 0.042 0.000 0.284 590 Y C 2.282 178.075 175.900 -0.179 0.000 1.143 590 Y CA 2.133 60.108 58.100 -0.207 0.000 1.135 590 Y CB -0.312 38.070 38.460 -0.129 0.000 0.980 590 Y HN 0.199 nan 8.280 nan 0.000 0.499 591 M N 0.339 119.775 119.600 -0.274 0.000 2.144 591 M HA -0.213 4.292 4.480 0.041 0.000 0.260 591 M C 2.298 178.418 176.300 -0.299 0.000 1.067 591 M CA 1.761 56.888 55.300 -0.288 0.000 1.095 591 M CB -1.644 30.910 32.600 -0.076 0.000 1.365 591 M HN 0.529 nan 8.290 nan 0.000 0.406 592 A N -0.398 122.235 122.820 -0.311 0.000 2.209 592 A HA -0.025 4.320 4.320 0.041 0.000 0.212 592 A C 0.809 178.240 177.584 -0.255 0.000 1.158 592 A CA 0.226 52.111 52.037 -0.253 0.000 0.742 592 A CB -0.382 18.409 19.000 -0.349 0.000 0.790 592 A HN 0.591 nan 8.150 nan 0.000 0.472 593 R N -1.699 118.598 120.500 -0.338 0.000 3.144 593 R HA -0.132 4.233 4.340 0.041 0.000 0.255 593 R C -1.300 174.880 176.300 -0.199 0.000 0.949 593 R CA 0.693 56.625 56.100 -0.280 0.000 0.649 593 R CB -2.148 28.026 30.300 -0.210 0.000 1.229 593 R HN 0.536 nan 8.270 nan 0.000 0.440 594 I N 0.169 120.608 120.570 -0.219 0.000 2.465 594 I HA 0.142 4.337 4.170 0.041 0.000 0.291 594 I C 0.750 176.803 176.117 -0.106 0.000 1.014 594 I CA -0.552 60.653 61.300 -0.159 0.000 1.093 594 I CB 2.008 39.876 38.000 -0.219 0.000 1.267 594 I HN 0.131 nan 8.210 nan 0.000 0.431 595 S N 6.157 121.817 115.700 -0.067 0.000 2.525 595 S HA 0.224 4.718 4.470 0.041 0.000 0.285 595 S C 0.405 174.978 174.600 -0.045 0.000 1.283 595 S CA -0.107 58.068 58.200 -0.042 0.000 1.072 595 S CB 0.116 63.297 63.200 -0.032 0.000 0.867 595 S HN 0.505 nan 8.310 nan 0.000 0.492 596 L N 4.527 125.726 121.223 -0.041 0.000 3.034 596 L HA 0.352 4.716 4.340 0.041 0.000 0.245 596 L C 0.418 177.237 176.870 -0.085 0.000 1.295 596 L CA -0.242 54.561 54.840 -0.062 0.000 1.068 596 L CB 0.257 42.275 42.059 -0.067 0.000 1.426 596 L HN 0.512 nan 8.230 nan 0.000 0.531 597 S N 0.638 116.301 115.700 -0.061 0.000 2.619 597 S HA 0.859 5.354 4.470 0.041 0.000 0.280 597 S C -0.961 173.620 174.600 -0.032 0.000 1.150 597 S CA -0.339 57.825 58.200 -0.061 0.000 0.978 597 S CB 1.657 64.824 63.200 -0.055 0.000 1.041 597 S HN 0.225 nan 8.310 nan 0.000 0.485 598 A N 2.873 125.679 122.820 -0.023 0.000 2.520 598 A HA 0.771 5.116 4.320 0.041 0.000 0.298 598 A C -0.126 177.466 177.584 0.014 0.000 1.051 598 A CA -0.712 51.323 52.037 -0.003 0.000 0.690 598 A CB 1.257 20.256 19.000 -0.002 0.000 1.281 598 A HN 0.926 nan 8.150 nan 0.000 0.402 599 T N -0.138 114.432 114.554 0.027 0.000 2.913 599 T HA 0.719 5.094 4.350 0.041 0.000 0.287 599 T C 0.426 175.173 174.700 0.079 0.000 1.008 599 T CA 0.056 62.188 62.100 0.053 0.000 1.067 599 T CB 1.636 70.535 68.868 0.052 0.000 0.996 599 T HN 1.558 nan 8.240 nan 0.000 0.513 600 G N 0.148 109.018 108.800 0.117 0.000 2.533 600 G HA2 0.696 4.680 3.960 0.041 0.000 0.304 600 G HA3 0.696 4.680 3.960 0.041 0.000 0.304 600 G C -1.976 173.081 174.900 0.262 0.000 1.263 600 G CA -0.958 44.231 45.100 0.149 0.000 0.964 600 G HN 0.784 nan 8.290 nan 0.000 0.479 601 F N 0.620 120.619 119.950 0.082 0.000 2.654 601 F HA 0.626 5.176 4.527 0.040 0.000 0.314 601 F C -2.234 173.665 175.800 0.166 0.000 1.116 601 F CA -1.147 56.915 58.000 0.103 0.000 1.017 601 F CB 1.861 40.898 39.000 0.063 0.000 1.285 601 F HN 0.626 nan 8.300 nan 0.000 0.448 602 Y N 4.269 124.068 120.300 -0.834 0.000 2.492 602 Y HA 0.833 5.407 4.550 0.040 0.000 0.346 602 Y C -1.732 173.713 175.900 -0.757 0.000 0.997 602 Y CA -0.762 56.992 58.100 -0.577 0.000 1.025 602 Y CB 1.974 40.275 38.460 -0.265 0.000 1.263 602 Y HN 0.907 nan 8.280 nan 0.000 0.454 603 A N 3.393 125.503 122.820 -1.183 0.000 2.356 603 A HA 0.594 4.939 4.320 0.041 0.000 0.310 603 A C -0.839 176.066 177.584 -1.132 0.000 1.075 603 A CA -0.768 50.736 52.037 -0.889 0.000 0.746 603 A CB 0.752 19.538 19.000 -0.357 0.000 1.221 603 A HN 0.716 nan 8.150 nan 0.000 0.443 604 T N 5.522 119.661 114.554 -0.692 0.000 2.817 604 T HA 0.390 4.765 4.350 0.041 0.000 0.295 604 T C -1.932 172.665 174.700 -0.172 0.000 0.958 604 T CA -0.140 61.770 62.100 -0.317 0.000 1.157 604 T CB 0.110 68.972 68.868 -0.011 0.000 0.898 604 T HN 0.603 nan 8.240 nan 0.000 0.536 605 P HA 0.370 nan 4.420 nan 0.000 0.279 605 P C 0.148 177.447 177.300 -0.002 0.000 1.276 605 P CA -0.615 62.462 63.100 -0.038 0.000 0.801 605 P CB 0.778 32.476 31.700 -0.003 0.000 1.127 606 K N -2.451 117.951 120.400 0.003 0.000 3.610 606 K HA -0.148 4.196 4.320 0.041 0.000 0.283 606 K C 0.060 176.663 176.600 0.004 0.000 1.210 606 K CA 0.841 57.134 56.287 0.011 0.000 1.026 606 K CB -1.848 30.666 32.500 0.023 0.000 1.295 606 K HN 0.378 nan 8.250 nan 0.000 0.468 607 L N 1.521 122.742 121.223 -0.004 0.000 2.313 607 L HA 0.339 4.704 4.340 0.041 0.000 0.282 607 L C 0.219 177.107 176.870 0.029 0.000 1.092 607 L CA -0.194 54.642 54.840 -0.007 0.000 0.831 607 L CB 1.456 43.503 42.059 -0.020 0.000 1.159 607 L HN 0.069 nan 8.230 nan 0.000 0.442 608 S N 4.728 120.463 115.700 0.059 0.000 2.584 608 S HA 0.566 5.061 4.470 0.041 0.000 0.282 608 S C -1.729 172.976 174.600 0.175 0.000 1.138 608 S CA -0.727 57.529 58.200 0.093 0.000 0.987 608 S CB 0.799 64.026 63.200 0.046 0.000 1.137 608 S HN 0.660 nan 8.310 nan 0.000 0.457 609 W N 3.872 125.110 121.300 -0.103 0.000 3.296 609 W HA 0.565 5.249 4.660 0.040 0.000 0.314 609 W C -2.141 174.315 176.519 -0.105 0.000 1.238 609 W CA -0.835 56.435 57.345 -0.126 0.000 1.193 609 W CB 0.609 29.949 29.460 -0.200 0.000 1.383 609 W HN 0.590 nan 8.180 nan 0.000 0.545 610 D N 3.511 123.681 120.400 -0.383 0.000 2.396 610 D HA 0.200 4.864 4.640 0.041 0.000 0.225 610 D C 1.418 177.167 176.300 -0.919 0.000 1.121 610 D CA -0.147 53.520 54.000 -0.555 0.000 0.853 610 D CB 1.269 41.916 40.800 -0.254 0.000 1.043 610 D HN 0.501 nan 8.370 nan 0.000 0.500 611 R N 3.419 123.173 120.500 -1.242 0.000 2.091 611 R HA -0.133 4.231 4.340 0.041 0.000 0.238 611 R C 1.530 177.720 176.300 -0.183 0.000 1.136 611 R CA 1.202 56.677 56.100 -1.041 0.000 0.959 611 R CB -0.031 29.930 30.300 -0.565 0.000 0.856 611 R HN 0.533 nan 8.270 nan 0.000 0.437 612 L N -0.309 120.836 121.223 -0.129 0.000 2.056 612 L HA -0.089 4.276 4.340 0.041 0.000 0.207 612 L C 2.665 179.632 176.870 0.161 0.000 1.078 612 L CA 1.287 56.171 54.840 0.073 0.000 0.749 612 L CB -0.246 41.813 42.059 0.001 0.000 0.901 612 L HN 0.136 nan 8.230 nan 0.000 0.433 613 R N -0.197 120.294 120.500 -0.014 0.000 2.276 613 R HA 0.099 4.463 4.340 0.041 0.000 0.196 613 R C 0.797 176.939 176.300 -0.263 0.000 0.961 613 R CA 0.563 56.643 56.100 -0.033 0.000 1.024 613 R CB 0.213 30.483 30.300 -0.050 0.000 0.940 613 R HN 0.413 nan 8.270 nan 0.000 0.480 614 G N 1.920 110.395 108.800 -0.541 0.000 2.333 614 G HA2 -0.230 3.755 3.960 0.041 0.000 0.296 614 G HA3 -0.230 3.755 3.960 0.041 0.000 0.296 614 G C -0.395 174.244 174.900 -0.435 0.000 1.059 614 G CA 0.144 44.538 45.100 -1.176 0.000 1.050 614 G HN 0.184 nan 8.290 nan 0.000 0.508 615 Q N -1.037 118.693 119.800 -0.117 0.000 2.389 615 Q HA 0.757 5.122 4.340 0.041 0.000 0.277 615 Q C 0.455 176.538 176.000 0.139 0.000 1.082 615 Q CA 0.341 56.150 55.803 0.010 0.000 0.810 615 Q CB 2.205 30.927 28.738 -0.027 0.000 1.374 615 Q HN 1.797 nan 8.270 nan 0.000 0.422 616 G N 1.238 110.118 108.800 0.134 0.000 2.318 616 G HA2 -0.108 3.876 3.960 0.041 0.000 0.367 616 G HA3 -0.108 3.876 3.960 0.041 0.000 0.367 616 G C -1.331 173.640 174.900 0.118 0.000 1.260 616 G CA -0.916 44.272 45.100 0.147 0.000 1.055 616 G HN 0.408 nan 8.290 nan 0.000 0.484 617 R N 1.507 122.048 120.500 0.069 0.000 2.396 617 R HA 0.416 4.781 4.340 0.041 0.000 0.292 617 R C -1.611 174.558 176.300 -0.219 0.000 1.240 617 R CA -1.648 54.428 56.100 -0.040 0.000 1.270 617 R CB 1.321 31.617 30.300 -0.007 0.000 1.108 617 R HN 0.310 nan 8.270 nan 0.000 0.573 618 P HA -0.075 nan 4.420 nan 0.000 0.220 618 P C -0.201 176.558 177.300 -0.901 0.000 1.152 618 P CA 0.944 63.369 63.100 -1.126 0.000 0.812 618 P CB 0.244 30.587 31.700 -2.261 0.000 0.792 619 F N -1.110 118.585 119.950 -0.425 0.000 2.458 619 F HA 0.274 4.825 4.527 0.041 0.000 0.330 619 F C 1.730 177.303 175.800 -0.380 0.000 1.082 619 F CA -1.234 56.466 58.000 -0.500 0.000 0.995 619 F CB 1.331 39.839 39.000 -0.821 0.000 1.170 619 F HN -0.303 nan 8.300 nan 0.000 0.478 620 L N 2.923 124.072 121.223 -0.122 0.000 2.068 620 L HA 0.045 4.409 4.340 0.041 0.000 0.204 620 L C -0.340 176.541 176.870 0.019 0.000 1.076 620 L CA 1.496 56.327 54.840 -0.016 0.000 0.753 620 L CB -0.189 41.934 42.059 0.107 0.000 0.910 620 L HN 0.656 nan 8.230 nan 0.000 0.439 621 Y N -4.573 115.589 120.300 -0.230 0.000 2.689 621 Y HA 0.602 5.177 4.550 0.041 0.000 0.333 621 Y C -1.234 174.342 175.900 -0.540 0.000 1.190 621 Y CA -2.322 55.622 58.100 -0.260 0.000 1.063 621 Y CB 0.295 38.711 38.460 -0.073 0.000 1.294 621 Y HN -0.183 nan 8.280 nan 0.000 0.466 622 F N 1.107 121.029 119.950 -0.047 0.000 2.507 622 F HA 0.848 5.400 4.527 0.042 0.000 0.327 622 F C 0.156 175.779 175.800 -0.295 0.000 1.068 622 F CA -0.879 56.899 58.000 -0.369 0.000 0.965 622 F CB 2.122 40.787 39.000 -0.559 0.000 1.192 622 F HN 0.785 nan 8.300 nan 0.000 0.476 623 A N 2.083 124.790 122.820 -0.189 0.000 2.317 623 A HA 0.755 5.100 4.320 0.041 0.000 0.327 623 A C -1.735 175.594 177.584 -0.425 0.000 1.178 623 A CA -0.433 51.523 52.037 -0.136 0.000 0.817 623 A CB 0.324 19.372 19.000 0.081 0.000 1.189 623 A HN 0.718 nan 8.150 nan 0.000 0.489 624 Y N 0.492 120.702 120.300 -0.149 0.000 2.549 624 Y HA 0.737 5.312 4.550 0.042 0.000 0.339 624 Y C 0.870 176.464 175.900 -0.511 0.000 1.053 624 Y CA 0.055 57.988 58.100 -0.279 0.000 1.105 624 Y CB 2.756 41.014 38.460 -0.335 0.000 1.258 624 Y HN 1.055 nan 8.280 nan 0.000 0.478 625 G N -0.258 108.439 108.800 -0.170 0.000 2.387 625 G HA2 0.622 4.607 3.960 0.041 0.000 0.294 625 G HA3 0.622 4.607 3.960 0.041 0.000 0.294 625 G C -2.259 172.630 174.900 -0.018 0.000 1.509 625 G CA -0.270 44.747 45.100 -0.139 0.000 0.806 625 G HN 0.851 nan 8.290 nan 0.000 0.546 626 A N -0.981 121.847 122.820 0.013 0.000 2.572 626 A HA 1.070 5.415 4.320 0.041 0.000 0.295 626 A C -0.435 177.172 177.584 0.039 0.000 1.072 626 A CA 0.098 52.146 52.037 0.018 0.000 0.691 626 A CB 1.659 20.631 19.000 -0.047 0.000 1.291 626 A HN 2.512 nan 8.150 nan 0.000 0.404 627 A N 1.188 124.034 122.820 0.043 0.000 2.398 627 A HA 0.753 5.098 4.320 0.041 0.000 0.301 627 A C -1.083 176.505 177.584 0.007 0.000 1.041 627 A CA -0.305 51.747 52.037 0.026 0.000 0.711 627 A CB 0.771 19.820 19.000 0.081 0.000 1.240 627 A HN 0.770 nan 8.150 nan 0.000 0.420 628 I N 2.461 123.017 120.570 -0.024 0.000 2.354 628 I HA 0.336 4.530 4.170 0.041 0.000 0.286 628 I C -0.216 175.920 176.117 0.032 0.000 1.007 628 I CA -0.029 61.272 61.300 0.002 0.000 1.167 628 I CB 1.914 39.901 38.000 -0.021 0.000 1.320 628 I HN 0.585 nan 8.210 nan 0.000 0.458 629 T N 5.363 119.960 114.554 0.072 0.000 2.855 629 T HA 0.358 4.733 4.350 0.041 0.000 0.281 629 T C -0.498 174.228 174.700 0.043 0.000 1.007 629 T CA -0.610 61.525 62.100 0.058 0.000 1.009 629 T CB 1.934 70.872 68.868 0.116 0.000 0.983 629 T HN 0.507 nan 8.240 nan 0.000 0.455 630 E N 1.901 122.099 120.200 -0.004 0.000 2.222 630 E HA 0.647 5.022 4.350 0.041 0.000 0.267 630 E C -1.130 175.428 176.600 -0.069 0.000 0.884 630 E CA -0.831 55.546 56.400 -0.038 0.000 0.764 630 E CB 1.494 31.157 29.700 -0.062 0.000 1.169 630 E HN 0.519 nan 8.360 nan 0.000 0.413 631 V N 0.387 120.249 119.914 -0.086 0.000 3.130 631 V HA 0.766 4.910 4.120 0.041 0.000 0.310 631 V C -0.675 175.349 176.094 -0.117 0.000 1.158 631 V CA -0.893 61.351 62.300 -0.094 0.000 1.029 631 V CB 1.493 33.269 31.823 -0.078 0.000 1.057 631 V HN 0.433 nan 8.190 nan 0.000 0.436 632 V N 0.949 120.802 119.914 -0.101 0.000 2.680 632 V HA 0.829 4.974 4.120 0.041 0.000 0.309 632 V C -0.274 175.795 176.094 -0.042 0.000 1.052 632 V CA -0.635 61.618 62.300 -0.079 0.000 0.908 632 V CB 1.294 33.071 31.823 -0.077 0.000 1.001 632 V HN 1.260 nan 8.190 nan 0.000 0.431 633 I N -0.625 119.937 120.570 -0.014 0.000 2.545 633 I HA 0.733 4.928 4.170 0.041 0.000 0.292 633 I C -1.033 175.089 176.117 0.008 0.000 1.040 633 I CA -0.556 60.733 61.300 -0.019 0.000 1.068 633 I CB 2.084 40.054 38.000 -0.049 0.000 1.251 633 I HN 0.597 nan 8.210 nan 0.000 0.424 634 D N 4.649 125.048 120.400 -0.003 0.000 2.316 634 D HA 0.252 4.917 4.640 0.041 0.000 0.245 634 D C 0.848 177.140 176.300 -0.013 0.000 1.171 634 D CA -0.284 53.717 54.000 0.002 0.000 0.856 634 D CB 1.182 41.981 40.800 -0.002 0.000 1.090 634 D HN 0.510 nan 8.370 nan 0.000 0.476 635 R N 3.036 123.529 120.500 -0.012 0.000 2.235 635 R HA 0.018 4.383 4.340 0.041 0.000 0.213 635 R C 1.469 177.754 176.300 -0.024 0.000 1.059 635 R CA 0.450 56.537 56.100 -0.023 0.000 0.997 635 R CB 0.123 30.409 30.300 -0.024 0.000 0.884 635 R HN 0.534 nan 8.270 nan 0.000 0.462 636 L N -0.304 120.908 121.223 -0.019 0.000 2.127 636 L HA -0.059 4.306 4.340 0.041 0.000 0.203 636 L C 2.325 179.184 176.870 -0.019 0.000 1.080 636 L CA 1.505 56.334 54.840 -0.019 0.000 0.768 636 L CB -0.077 41.972 42.059 -0.016 0.000 0.924 636 L HN 0.256 nan 8.230 nan 0.000 0.444 637 T N -5.794 108.749 114.554 -0.019 0.000 2.999 637 T HA 0.299 4.673 4.350 0.041 0.000 0.247 637 T C 1.404 176.089 174.700 -0.024 0.000 1.012 637 T CA 0.576 62.664 62.100 -0.020 0.000 1.048 637 T CB 1.054 69.911 68.868 -0.017 0.000 1.020 637 T HN 0.326 nan 8.240 nan 0.000 0.478 638 G N 1.357 110.140 108.800 -0.028 0.000 2.179 638 G HA2 -0.199 3.786 3.960 0.041 0.000 0.220 638 G HA3 -0.199 3.786 3.960 0.041 0.000 0.220 638 G C -0.194 174.684 174.900 -0.037 0.000 0.990 638 G CA -0.076 45.002 45.100 -0.036 0.000 0.646 638 G HN 0.657 nan 8.290 nan 0.000 0.517 639 E N 0.748 120.931 120.200 -0.029 0.000 2.481 639 E HA 0.384 4.758 4.350 0.041 0.000 0.263 639 E C 0.500 177.081 176.600 -0.032 0.000 0.992 639 E CA 1.081 57.463 56.400 -0.029 0.000 0.938 639 E CB 0.207 29.895 29.700 -0.021 0.000 0.933 639 E HN 0.819 nan 8.360 nan 0.000 0.453 640 N N 0.649 119.326 118.700 -0.038 0.000 2.745 640 N HA 0.417 5.182 4.740 0.041 0.000 0.256 640 N C -1.633 173.848 175.510 -0.050 0.000 1.268 640 N CA -1.144 51.879 53.050 -0.045 0.000 0.887 640 N CB 1.308 39.761 38.487 -0.057 0.000 1.575 640 N HN 0.422 nan 8.380 nan 0.000 0.496 641 R N 0.445 120.913 120.500 -0.054 0.000 2.643 641 R HA 0.495 4.859 4.340 0.041 0.000 0.269 641 R C -1.498 174.761 176.300 -0.069 0.000 1.037 641 R CA -0.954 55.111 56.100 -0.058 0.000 0.894 641 R CB 1.117 31.390 30.300 -0.046 0.000 1.238 641 R HN 0.537 nan 8.270 nan 0.000 0.459 642 I N 3.755 124.281 120.570 -0.073 0.000 2.505 642 I HA -0.012 4.183 4.170 0.041 0.000 0.287 642 I C 1.236 177.302 176.117 -0.085 0.000 1.104 642 I CA -0.161 61.093 61.300 -0.076 0.000 1.387 642 I CB 0.723 38.680 38.000 -0.072 0.000 1.404 642 I HN 0.574 nan 8.210 nan 0.000 0.528 643 L N 5.719 126.887 121.223 -0.091 0.000 2.145 643 L HA 0.176 4.541 4.340 0.041 0.000 0.201 643 L C 1.128 177.944 176.870 -0.091 0.000 1.075 643 L CA 0.678 55.461 54.840 -0.094 0.000 0.773 643 L CB -0.111 41.876 42.059 -0.121 0.000 0.936 643 L HN 0.568 nan 8.230 nan 0.000 0.451 644 R N -0.796 119.647 120.500 -0.094 0.000 2.626 644 R HA 0.459 4.824 4.340 0.041 0.000 0.274 644 R C -1.612 174.621 176.300 -0.112 0.000 1.031 644 R CA -0.324 55.722 56.100 -0.092 0.000 0.898 644 R CB 2.167 32.432 30.300 -0.059 0.000 1.222 644 R HN -0.206 nan 8.270 nan 0.000 0.455 645 T N 2.459 116.912 114.554 -0.169 0.000 2.886 645 T HA 0.373 4.748 4.350 0.041 0.000 0.292 645 T C -1.715 172.911 174.700 -0.123 0.000 1.012 645 T CA -0.702 61.258 62.100 -0.233 0.000 0.982 645 T CB 1.660 70.163 68.868 -0.608 0.000 1.018 645 T HN 0.570 nan 8.240 nan 0.000 0.451 646 D N 1.830 122.176 120.400 -0.090 0.000 2.593 646 D HA 0.580 5.245 4.640 0.041 0.000 0.251 646 D C -0.708 175.569 176.300 -0.038 0.000 1.140 646 D CA -0.348 53.637 54.000 -0.025 0.000 0.855 646 D CB 1.526 42.330 40.800 0.006 0.000 1.267 646 D HN 0.354 nan 8.370 nan 0.000 0.532 647 I N 1.963 122.530 120.570 -0.006 0.000 2.465 647 I HA 0.380 4.575 4.170 0.041 0.000 0.291 647 I C -1.194 174.962 176.117 0.064 0.000 1.014 647 I CA -1.106 60.204 61.300 0.017 0.000 1.093 647 I CB 1.839 39.847 38.000 0.013 0.000 1.267 647 I HN 0.161 nan 8.210 nan 0.000 0.431 648 L N 6.910 128.183 121.223 0.083 0.000 2.353 648 L HA 0.463 4.827 4.340 0.041 0.000 0.270 648 L C -1.054 175.906 176.870 0.150 0.000 1.003 648 L CA -0.104 54.811 54.840 0.125 0.000 0.862 648 L CB 0.600 42.730 42.059 0.118 0.000 1.221 648 L HN 0.518 nan 8.230 nan 0.000 0.430 649 H N 1.727 120.856 119.070 0.099 0.000 2.469 649 H HA 0.419 4.999 4.556 0.041 0.000 0.342 649 H C -1.078 174.351 175.328 0.168 0.000 1.115 649 H CA -0.564 55.541 56.048 0.095 0.000 1.204 649 H CB 1.477 31.284 29.762 0.074 0.000 1.492 649 H HN 0.702 nan 8.280 nan 0.000 0.499 650 D N 3.178 123.463 120.400 -0.193 0.000 2.365 650 D HA 0.255 4.920 4.640 0.041 0.000 0.237 650 D C 0.012 176.384 176.300 0.120 0.000 1.190 650 D CA -0.083 53.969 54.000 0.086 0.000 0.867 650 D CB 0.769 41.580 40.800 0.018 0.000 1.050 650 D HN 0.597 nan 8.370 nan 0.000 0.491 651 A N 3.519 126.478 122.820 0.231 0.000 2.387 651 A HA 0.610 4.955 4.320 0.041 0.000 0.234 651 A C 1.392 179.057 177.584 0.136 0.000 1.253 651 A CA 0.351 52.512 52.037 0.208 0.000 0.894 651 A CB -0.647 18.464 19.000 0.186 0.000 0.963 651 A HN 1.009 nan 8.150 nan 0.000 0.508 652 G N -0.250 108.635 108.800 0.142 0.000 2.528 652 G HA2 0.129 4.114 3.960 0.041 0.000 0.262 652 G HA3 0.129 4.114 3.960 0.041 0.000 0.262 652 G C 0.514 175.446 174.900 0.053 0.000 1.200 652 G CA -0.069 45.080 45.100 0.082 0.000 0.951 652 G HN 1.720 nan 8.290 nan 0.000 0.566 653 A N 0.053 122.886 122.820 0.021 0.000 2.922 653 A HA 0.677 5.022 4.320 0.041 0.000 0.298 653 A C 0.966 178.563 177.584 0.021 0.000 1.588 653 A CA 1.480 53.526 52.037 0.015 0.000 1.288 653 A CB -0.450 18.562 19.000 0.020 0.000 1.130 653 A HN 2.303 nan 8.150 nan 0.000 0.557 654 S N 1.710 117.423 115.700 0.022 0.000 2.599 654 S HA 0.007 4.502 4.470 0.041 0.000 0.303 654 S C 1.328 175.923 174.600 -0.008 0.000 1.267 654 S CA -0.074 58.138 58.200 0.020 0.000 1.055 654 S CB -0.103 63.109 63.200 0.022 0.000 0.790 654 S HN 0.563 nan 8.310 nan 0.000 0.500 655 L N 3.438 124.655 121.223 -0.010 0.000 2.156 655 L HA 0.117 4.481 4.340 0.041 0.000 0.208 655 L C 1.233 178.067 176.870 -0.059 0.000 1.095 655 L CA 0.576 55.388 54.840 -0.047 0.000 0.770 655 L CB -0.203 41.836 42.059 -0.034 0.000 0.914 655 L HN 0.630 nan 8.230 nan 0.000 0.439 656 N N -1.215 117.466 118.700 -0.031 0.000 2.629 656 N HA 0.150 4.915 4.740 0.041 0.000 0.277 656 N C -2.303 173.201 175.510 -0.009 0.000 1.188 656 N CA -1.117 51.916 53.050 -0.027 0.000 0.835 656 N CB 1.837 40.309 38.487 -0.025 0.000 1.420 656 N HN -0.293 nan 8.380 nan 0.000 0.542 657 P HA -0.132 nan 4.420 nan 0.000 0.215 657 P C 1.087 178.386 177.300 -0.001 0.000 1.157 657 P CA 1.716 64.814 63.100 -0.003 0.000 0.874 657 P CB 0.379 32.072 31.700 -0.011 0.000 0.790 658 A N -0.469 122.348 122.820 -0.004 0.000 1.851 658 A HA -0.194 4.150 4.320 0.041 0.000 0.216 658 A C 2.303 179.892 177.584 0.007 0.000 1.195 658 A CA 1.730 53.767 52.037 -0.001 0.000 0.622 658 A CB -1.736 17.267 19.000 0.004 0.000 0.831 658 A HN 0.095 nan 8.150 nan 0.000 0.444 659 L N -0.534 120.700 121.223 0.018 0.000 2.081 659 L HA -0.248 4.117 4.340 0.041 0.000 0.212 659 L C 2.121 179.004 176.870 0.023 0.000 1.080 659 L CA 1.639 56.499 54.840 0.033 0.000 0.754 659 L CB -0.710 41.369 42.059 0.034 0.000 0.893 659 L HN 0.359 nan 8.230 nan 0.000 0.433 660 D N -0.185 120.224 120.400 0.015 0.000 2.123 660 D HA -0.128 4.536 4.640 0.041 0.000 0.200 660 D C 2.289 178.587 176.300 -0.003 0.000 0.976 660 D CA 0.895 54.905 54.000 0.015 0.000 0.831 660 D CB -0.019 40.801 40.800 0.034 0.000 0.974 660 D HN 0.123 nan 8.370 nan 0.000 0.469 661 I N 1.173 121.736 120.570 -0.011 0.000 2.163 661 I HA -0.187 4.008 4.170 0.041 0.000 0.243 661 I C 2.512 178.588 176.117 -0.067 0.000 1.085 661 I CA 1.440 62.713 61.300 -0.044 0.000 1.347 661 I CB -1.515 36.453 38.000 -0.054 0.000 1.044 661 I HN 0.022 nan 8.210 nan 0.000 0.408 662 G N 0.409 109.185 108.800 -0.040 0.000 2.476 662 G HA2 -0.268 3.717 3.960 0.041 0.000 0.218 662 G HA3 -0.268 3.717 3.960 0.041 0.000 0.218 662 G C 1.534 176.432 174.900 -0.002 0.000 1.164 662 G CA 0.403 45.487 45.100 -0.027 0.000 0.768 662 G HN 0.369 nan 8.290 nan 0.000 0.560 663 Q N 0.142 119.949 119.800 0.010 0.000 2.061 663 Q HA -0.077 4.288 4.340 0.041 0.000 0.204 663 Q C 2.774 178.779 176.000 0.008 0.000 0.984 663 Q CA 1.126 56.944 55.803 0.025 0.000 0.846 663 Q CB -0.313 28.431 28.738 0.010 0.000 0.902 663 Q HN 0.607 nan 8.270 nan 0.000 0.421 664 I N 0.812 121.354 120.570 -0.047 0.000 2.142 664 I HA -0.272 3.923 4.170 0.041 0.000 0.240 664 I C 2.289 178.422 176.117 0.027 0.000 1.078 664 I CA 1.173 62.433 61.300 -0.066 0.000 1.343 664 I CB -0.343 37.590 38.000 -0.112 0.000 1.046 664 I HN 0.208 nan 8.210 nan 0.000 0.405 665 E N 0.820 120.980 120.200 -0.067 0.000 2.065 665 E HA -0.242 4.132 4.350 0.041 0.000 0.201 665 E C 2.288 178.978 176.600 0.150 0.000 1.016 665 E CA 1.561 57.876 56.400 -0.142 0.000 0.818 665 E CB -0.470 29.019 29.700 -0.353 0.000 0.749 665 E HN 0.637 nan 8.360 nan 0.000 0.453 666 G N 0.640 109.506 108.800 0.110 0.000 2.394 666 G HA2 -0.176 3.809 3.960 0.041 0.000 0.215 666 G HA3 -0.176 3.809 3.960 0.041 0.000 0.215 666 G C 1.670 176.690 174.900 0.200 0.000 1.165 666 G CA 0.765 45.964 45.100 0.164 0.000 0.784 666 G HN 0.352 nan 8.290 nan 0.000 0.535 667 A N -0.133 122.805 122.820 0.197 0.000 1.972 667 A HA -0.003 4.342 4.320 0.041 0.000 0.219 667 A C 2.141 179.797 177.584 0.119 0.000 1.169 667 A CA 1.640 53.808 52.037 0.219 0.000 0.635 667 A CB -0.602 18.507 19.000 0.181 0.000 0.810 667 A HN 0.485 nan 8.150 nan 0.000 0.446 668 Y N 0.681 121.010 120.300 0.048 0.000 2.089 668 Y HA -0.197 4.378 4.550 0.041 0.000 0.282 668 Y C 2.330 178.214 175.900 -0.027 0.000 1.139 668 Y CA 2.145 60.253 58.100 0.014 0.000 1.123 668 Y CB -0.513 38.041 38.460 0.155 0.000 0.980 668 Y HN 0.048 nan 8.280 nan 0.000 0.493 669 V N 0.904 120.867 119.914 0.081 0.000 2.392 669 V HA -0.367 3.778 4.120 0.041 0.000 0.249 669 V C 2.399 178.413 176.094 -0.134 0.000 1.059 669 V CA 2.402 64.672 62.300 -0.049 0.000 1.051 669 V CB -0.824 31.074 31.823 0.125 0.000 0.658 669 V HN 0.533 nan 8.190 nan 0.000 0.455 670 Q N -0.240 119.527 119.800 -0.055 0.000 2.123 670 Q HA -0.092 4.273 4.340 0.041 0.000 0.199 670 Q C 2.253 178.143 176.000 -0.185 0.000 0.966 670 Q CA 1.557 57.362 55.803 0.004 0.000 0.845 670 Q CB -0.310 28.549 28.738 0.203 0.000 0.907 670 Q HN 0.663 nan 8.270 nan 0.000 0.439 671 G N 0.138 108.544 108.800 -0.657 0.000 2.402 671 G HA2 -0.204 3.781 3.960 0.041 0.000 0.216 671 G HA3 -0.204 3.781 3.960 0.041 0.000 0.216 671 G C 1.417 176.006 174.900 -0.519 0.000 1.162 671 G CA 0.710 45.091 45.100 -1.198 0.000 0.777 671 G HN 0.456 nan 8.290 nan 0.000 0.539 672 A N 0.949 123.445 122.820 -0.541 0.000 1.902 672 A HA 0.166 4.511 4.320 0.041 0.000 0.217 672 A C 2.706 180.144 177.584 -0.245 0.000 1.181 672 A CA 2.061 53.840 52.037 -0.429 0.000 0.623 672 A CB -1.094 17.538 19.000 -0.613 0.000 0.818 672 A HN 0.520 nan 8.150 nan 0.000 0.443 673 G N -1.525 107.157 108.800 -0.197 0.000 2.442 673 G HA2 -0.294 3.691 3.960 0.041 0.000 0.219 673 G HA3 -0.294 3.691 3.960 0.041 0.000 0.219 673 G C 1.340 176.214 174.900 -0.044 0.000 1.141 673 G CA 1.145 46.174 45.100 -0.119 0.000 0.763 673 G HN 0.713 nan 8.290 nan 0.000 0.554 674 W N 1.178 122.359 121.300 -0.199 0.000 2.338 674 W HA 0.029 4.715 4.660 0.042 0.000 0.304 674 W C 1.757 178.188 176.519 -0.147 0.000 1.212 674 W CA 1.050 58.305 57.345 -0.149 0.000 1.264 674 W CB -0.308 29.080 29.460 -0.119 0.000 1.142 674 W HN 0.121 nan 8.180 nan 0.000 0.512 675 L N 0.700 121.712 121.223 -0.352 0.000 2.628 675 L HA 0.123 4.488 4.340 0.041 0.000 0.229 675 L C 1.860 178.623 176.870 -0.178 0.000 1.137 675 L CA 0.986 55.521 54.840 -0.509 0.000 0.909 675 L CB -0.597 41.141 42.059 -0.535 0.000 1.137 675 L HN 0.080 nan 8.230 nan 0.000 0.470 676 T N -5.809 108.659 114.554 -0.143 0.000 3.393 676 T HA -0.013 4.361 4.350 0.041 0.000 0.231 676 T C 1.527 176.163 174.700 -0.107 0.000 0.983 676 T CA 0.764 62.810 62.100 -0.090 0.000 1.272 676 T CB -0.179 68.632 68.868 -0.095 0.000 1.214 676 T HN 0.094 nan 8.240 nan 0.000 0.368 677 T N -0.520 113.949 114.554 -0.141 0.000 3.001 677 T HA 0.333 4.708 4.350 0.041 0.000 0.251 677 T C 0.416 174.964 174.700 -0.254 0.000 1.040 677 T CA -0.260 61.739 62.100 -0.169 0.000 0.985 677 T CB -0.196 68.573 68.868 -0.166 0.000 1.011 677 T HN 0.435 nan 8.240 nan 0.000 0.509 678 E N 1.816 121.846 120.200 -0.283 0.000 2.223 678 E HA 0.414 4.788 4.350 0.041 0.000 0.282 678 E C -0.509 175.977 176.600 -0.189 0.000 1.046 678 E CA -0.147 55.974 56.400 -0.467 0.000 0.857 678 E CB 0.850 30.328 29.700 -0.370 0.000 1.055 678 E HN 0.474 nan 8.360 nan 0.000 0.409 679 E N 4.193 124.305 120.200 -0.147 0.000 2.291 679 E HA 0.233 4.608 4.350 0.041 0.000 0.276 679 E C -1.440 175.242 176.600 0.136 0.000 0.896 679 E CA -0.535 55.888 56.400 0.038 0.000 0.774 679 E CB 1.107 30.793 29.700 -0.023 0.000 1.227 679 E HN 0.388 nan 8.360 nan 0.000 0.413 680 L N 3.776 125.061 121.223 0.105 0.000 2.289 680 L HA 0.536 4.901 4.340 0.041 0.000 0.285 680 L C -0.725 176.023 176.870 -0.202 0.000 1.049 680 L CA -0.858 53.910 54.840 -0.120 0.000 0.804 680 L CB 1.580 43.488 42.059 -0.251 0.000 1.195 680 L HN 0.325 nan 8.230 nan 0.000 0.428 681 V N 1.946 121.660 119.914 -0.333 0.000 2.525 681 V HA 0.410 4.554 4.120 0.041 0.000 0.299 681 V C -0.736 175.200 176.094 -0.263 0.000 1.034 681 V CA -0.699 61.508 62.300 -0.154 0.000 0.863 681 V CB 1.880 33.681 31.823 -0.038 0.000 0.999 681 V HN 0.609 nan 8.190 nan 0.000 0.423 682 W N 3.080 124.426 121.300 0.077 0.000 2.570 682 W HA 0.415 5.099 4.660 0.041 0.000 0.337 682 W C 0.158 176.723 176.519 0.077 0.000 1.067 682 W CA -0.438 56.949 57.345 0.071 0.000 1.229 682 W CB 2.057 31.551 29.460 0.058 0.000 1.355 682 W HN 0.769 nan 8.180 nan 0.000 0.555 683 D N 0.480 121.054 120.400 0.290 0.000 2.398 683 D HA -0.112 4.553 4.640 0.041 0.000 0.264 683 D C 1.477 177.925 176.300 0.247 0.000 1.263 683 D CA 0.255 54.407 54.000 0.253 0.000 1.037 683 D CB -0.028 40.912 40.800 0.233 0.000 1.101 683 D HN 0.523 nan 8.370 nan 0.000 0.551 684 H N -1.431 117.692 119.070 0.087 0.000 2.561 684 H HA 0.030 4.611 4.556 0.041 0.000 0.278 684 H C 0.796 176.152 175.328 0.046 0.000 1.014 684 H CA 0.230 56.314 56.048 0.061 0.000 1.211 684 H CB -0.829 28.958 29.762 0.041 0.000 1.365 684 H HN 0.268 nan 8.280 nan 0.000 0.594 685 C N 0.238 119.348 119.300 -0.317 0.000 3.183 685 C HA 0.491 4.976 4.460 0.041 0.000 0.285 685 C C 1.801 176.735 174.990 -0.093 0.000 1.313 685 C CA 0.222 59.076 59.018 -0.274 0.000 1.711 685 C CB -0.220 27.285 27.740 -0.391 0.000 2.135 685 C HN 0.859 nan 8.230 nan 0.000 0.651 686 G N 1.604 110.417 108.800 0.022 0.000 2.143 686 G HA2 -0.226 3.758 3.960 0.041 0.000 0.249 686 G HA3 -0.226 3.758 3.960 0.041 0.000 0.249 686 G C -0.010 175.051 174.900 0.269 0.000 0.981 686 G CA -0.363 44.798 45.100 0.102 0.000 0.665 686 G HN 0.600 nan 8.290 nan 0.000 0.528 687 R N -0.248 120.368 120.500 0.193 0.000 2.267 687 R HA 0.417 4.782 4.340 0.041 0.000 0.319 687 R C 0.378 176.806 176.300 0.212 0.000 1.067 687 R CA -0.772 55.423 56.100 0.158 0.000 0.936 687 R CB 0.908 31.233 30.300 0.041 0.000 1.006 687 R HN 0.224 nan 8.270 nan 0.000 0.452 688 L N 4.596 125.907 121.223 0.146 0.000 2.500 688 L HA -0.004 4.361 4.340 0.041 0.000 0.272 688 L C 0.765 177.634 176.870 -0.001 0.000 1.149 688 L CA 0.707 55.453 54.840 -0.156 0.000 0.897 688 L CB 0.629 42.592 42.059 -0.160 0.000 1.178 688 L HN 0.707 nan 8.230 nan 0.000 0.473 689 M N 2.308 121.883 119.600 -0.043 0.000 2.476 689 M HA 0.088 4.593 4.480 0.041 0.000 0.262 689 M C 0.825 177.144 176.300 0.032 0.000 1.111 689 M CA 0.548 55.892 55.300 0.074 0.000 1.127 689 M CB -1.042 31.579 32.600 0.035 0.000 1.376 689 M HN 0.709 nan 8.290 nan 0.000 0.465 690 T N -0.351 114.163 114.554 -0.067 0.000 3.145 690 T HA 0.294 4.669 4.350 0.041 0.000 0.348 690 T C 0.384 175.049 174.700 -0.058 0.000 1.299 690 T CA -0.582 61.470 62.100 -0.080 0.000 1.037 690 T CB -0.574 68.277 68.868 -0.029 0.000 1.122 690 T HN 0.483 nan 8.240 nan 0.000 0.600 691 H N 0.967 120.012 119.070 -0.042 0.000 2.649 691 H HA 0.660 5.240 4.556 0.041 0.000 0.258 691 H C -0.265 175.084 175.328 0.035 0.000 1.165 691 H CA -0.754 55.276 56.048 -0.031 0.000 1.006 691 H CB -0.121 29.621 29.762 -0.033 0.000 1.743 691 H HN 0.692 nan 8.280 nan 0.000 0.609 692 A N 1.504 124.262 122.820 -0.103 0.000 2.609 692 A HA 0.507 4.852 4.320 0.041 0.000 0.291 692 A C -2.449 175.174 177.584 0.065 0.000 1.096 692 A CA -1.474 50.563 52.037 -0.000 0.000 0.684 692 A CB 1.696 20.625 19.000 -0.120 0.000 1.282 692 A HN -0.031 nan 8.150 nan 0.000 0.412 693 P HA -0.023 nan 4.420 nan 0.000 0.237 693 P C 1.026 178.300 177.300 -0.043 0.000 1.178 693 P CA 1.600 64.704 63.100 0.008 0.000 0.766 693 P CB 0.132 31.899 31.700 0.111 0.000 0.876 694 S N -2.521 113.163 115.700 -0.026 0.000 2.575 694 S HA 0.032 4.527 4.470 0.041 0.000 0.215 694 S C 1.362 175.924 174.600 -0.064 0.000 0.966 694 S CA 0.831 59.005 58.200 -0.044 0.000 0.911 694 S CB -1.080 62.101 63.200 -0.032 0.000 0.780 694 S HN 0.246 nan 8.310 nan 0.000 0.514 695 T N -3.204 111.310 114.554 -0.068 0.000 2.966 695 T HA 0.280 4.654 4.350 0.041 0.000 0.254 695 T C -0.170 174.518 174.700 -0.020 0.000 0.961 695 T CA -0.291 61.770 62.100 -0.064 0.000 0.915 695 T CB -0.379 68.429 68.868 -0.101 0.000 1.186 695 T HN 0.313 nan 8.240 nan 0.000 0.505 696 Y N 2.691 122.901 120.300 -0.150 0.000 2.342 696 Y HA 0.587 5.161 4.550 0.041 0.000 0.338 696 Y C -0.843 174.924 175.900 -0.221 0.000 0.965 696 Y CA -1.315 56.688 58.100 -0.161 0.000 1.159 696 Y CB 0.918 39.294 38.460 -0.140 0.000 1.157 696 Y HN -0.219 nan 8.280 nan 0.000 0.486 697 K N 8.736 128.792 120.400 -0.574 0.000 2.357 697 K HA 0.264 4.609 4.320 0.041 0.000 0.251 697 K C -0.387 175.917 176.600 -0.494 0.000 1.069 697 K CA -0.414 55.616 56.287 -0.430 0.000 0.994 697 K CB -0.096 32.239 32.500 -0.274 0.000 1.411 697 K HN 0.819 nan 8.250 nan 0.000 0.450 698 I N -0.683 119.612 120.570 -0.458 0.000 2.882 698 I HA 0.284 4.478 4.170 0.041 0.000 0.286 698 I C -1.910 174.091 176.117 -0.195 0.000 1.139 698 I CA -2.125 58.992 61.300 -0.304 0.000 1.379 698 I CB -0.075 37.782 38.000 -0.238 0.000 1.410 698 I HN 0.164 nan 8.210 nan 0.000 0.594 699 P HA 0.129 nan 4.420 nan 0.000 0.262 699 P C -0.480 176.789 177.300 -0.052 0.000 1.199 699 P CA 0.117 63.162 63.100 -0.092 0.000 0.763 699 P CB 0.567 32.220 31.700 -0.078 0.000 0.790 700 A N 3.254 126.054 122.820 -0.032 0.000 2.240 700 A HA 0.297 4.642 4.320 0.041 0.000 0.292 700 A C 1.083 178.713 177.584 0.077 0.000 1.121 700 A CA -0.422 51.633 52.037 0.031 0.000 0.851 700 A CB -0.306 18.714 19.000 0.033 0.000 1.167 700 A HN 0.515 nan 8.150 nan 0.000 0.503 701 F N 0.946 120.903 119.950 0.012 0.000 2.063 701 F HA -0.284 4.268 4.527 0.040 0.000 0.298 701 F C 2.704 178.520 175.800 0.028 0.000 1.109 701 F CA 3.078 61.096 58.000 0.029 0.000 1.212 701 F CB -0.048 38.969 39.000 0.029 0.000 0.973 701 F HN 0.520 nan 8.300 nan 0.000 0.480 702 S N -1.234 114.626 115.700 0.266 0.000 2.561 702 S HA -0.100 4.395 4.470 0.041 0.000 0.225 702 S C 1.330 175.957 174.600 0.046 0.000 0.977 702 S CA 0.951 59.251 58.200 0.166 0.000 0.926 702 S CB -0.503 62.780 63.200 0.139 0.000 0.769 702 S HN 0.372 nan 8.310 nan 0.000 0.533 703 D N 2.336 122.742 120.400 0.011 0.000 2.348 703 D HA 0.008 4.673 4.640 0.041 0.000 0.216 703 D C 1.046 177.312 176.300 -0.057 0.000 0.970 703 D CA 0.327 54.307 54.000 -0.033 0.000 0.889 703 D CB -0.234 40.537 40.800 -0.048 0.000 0.912 703 D HN 0.741 nan 8.370 nan 0.000 0.524 704 R N 0.765 121.228 120.500 -0.061 0.000 2.643 704 R HA 0.279 4.644 4.340 0.041 0.000 0.270 704 R C -2.488 173.753 176.300 -0.097 0.000 1.061 704 R CA -1.225 54.838 56.100 -0.062 0.000 1.107 704 R CB -0.608 29.663 30.300 -0.049 0.000 0.999 704 R HN -0.209 nan 8.270 nan 0.000 0.460 705 P HA -0.034 nan 4.420 nan 0.000 0.260 705 P C -0.160 177.077 177.300 -0.104 0.000 1.185 705 P CA 0.077 63.013 63.100 -0.274 0.000 0.763 705 P CB 0.642 31.911 31.700 -0.718 0.000 0.776 706 R N 4.014 124.478 120.500 -0.061 0.000 2.120 706 R HA 0.034 4.399 4.340 0.041 0.000 0.234 706 R C 0.519 176.828 176.300 0.014 0.000 1.123 706 R CA 1.324 57.420 56.100 -0.007 0.000 0.975 706 R CB -0.390 29.901 30.300 -0.015 0.000 0.866 706 R HN 0.467 nan 8.270 nan 0.000 0.446 707 I N 0.292 120.857 120.570 -0.008 0.000 2.382 707 I HA 0.196 4.390 4.170 0.041 0.000 0.285 707 I C -1.021 175.126 176.117 0.050 0.000 1.007 707 I CA -0.436 60.880 61.300 0.028 0.000 1.142 707 I CB 1.553 39.557 38.000 0.006 0.000 1.289 707 I HN -0.073 nan 8.210 nan 0.000 0.453 708 F N 6.444 126.369 119.950 -0.043 0.000 2.359 708 F HA 0.436 4.987 4.527 0.041 0.000 0.369 708 F C -0.264 175.496 175.800 -0.066 0.000 1.084 708 F CA -0.886 57.072 58.000 -0.071 0.000 1.096 708 F CB 0.713 39.678 39.000 -0.059 0.000 1.335 708 F HN 0.459 nan 8.300 nan 0.000 0.457 709 N N 5.265 124.123 118.700 0.264 0.000 2.469 709 N HA 0.350 5.115 4.740 0.041 0.000 0.253 709 N C -1.127 174.429 175.510 0.076 0.000 0.970 709 N CA -0.237 52.879 53.050 0.109 0.000 0.940 709 N CB 2.442 40.968 38.487 0.065 0.000 1.128 709 N HN 0.185 nan 8.380 nan 0.000 0.503 710 V N 1.031 120.944 119.914 -0.002 0.000 2.487 710 V HA 0.805 4.950 4.120 0.041 0.000 0.298 710 V C -0.279 175.816 176.094 0.002 0.000 1.028 710 V CA -0.880 61.409 62.300 -0.019 0.000 0.860 710 V CB 1.465 33.220 31.823 -0.113 0.000 0.991 710 V HN 0.725 nan 8.190 nan 0.000 0.427 711 A N 5.360 128.206 122.820 0.043 0.000 2.398 711 A HA 0.850 5.195 4.320 0.041 0.000 0.301 711 A C -0.969 176.678 177.584 0.104 0.000 1.041 711 A CA -0.599 51.472 52.037 0.057 0.000 0.711 711 A CB 1.172 20.207 19.000 0.058 0.000 1.240 711 A HN 0.800 nan 8.150 nan 0.000 0.420 712 L N 2.919 124.199 121.223 0.095 0.000 2.319 712 L HA 0.171 4.536 4.340 0.041 0.000 0.280 712 L C 0.183 177.154 176.870 0.169 0.000 1.099 712 L CA -0.346 54.579 54.840 0.142 0.000 0.828 712 L CB 0.760 42.877 42.059 0.097 0.000 1.150 712 L HN 0.805 nan 8.230 nan 0.000 0.442 713 W N 5.458 126.775 121.300 0.028 0.000 2.546 713 W HA 0.073 4.757 4.660 0.041 0.000 0.323 713 W C -0.673 175.850 176.519 0.006 0.000 1.272 713 W CA -0.352 56.996 57.345 0.005 0.000 1.404 713 W CB 0.830 30.283 29.460 -0.013 0.000 1.411 713 W HN 0.545 nan 8.180 nan 0.000 0.480 714 D N 5.261 125.502 120.400 -0.265 0.000 2.443 714 D HA 0.211 4.876 4.640 0.041 0.000 0.221 714 D C -0.850 175.264 176.300 -0.310 0.000 1.097 714 D CA 0.193 54.078 54.000 -0.191 0.000 0.865 714 D CB 0.561 41.286 40.800 -0.124 0.000 1.034 714 D HN 0.371 nan 8.370 nan 0.000 0.511 715 Q N 3.127 122.824 119.800 -0.170 0.000 2.295 715 Q HA 0.325 4.690 4.340 0.041 0.000 0.268 715 Q C -2.516 173.490 176.000 0.010 0.000 1.010 715 Q CA -2.006 53.733 55.803 -0.108 0.000 0.856 715 Q CB 2.484 31.167 28.738 -0.093 0.000 1.349 715 Q HN 0.298 nan 8.270 nan 0.000 0.412 716 P HA -0.078 nan 4.420 nan 0.000 0.266 716 P C -0.674 176.625 177.300 -0.001 0.000 1.193 716 P CA -0.041 63.056 63.100 -0.004 0.000 0.770 716 P CB 0.519 32.213 31.700 -0.011 0.000 0.836 717 N N 1.842 120.512 118.700 -0.051 0.000 2.513 717 N HA 0.040 4.805 4.740 0.041 0.000 0.268 717 N C 1.203 176.667 175.510 -0.077 0.000 1.180 717 N CA 0.137 53.122 53.050 -0.109 0.000 0.948 717 N CB 0.348 38.654 38.487 -0.303 0.000 1.083 717 N HN 0.185 nan 8.380 nan 0.000 0.455 718 R N 1.123 121.602 120.500 -0.034 0.000 2.091 718 R HA -0.070 4.294 4.340 0.041 0.000 0.238 718 R C -0.050 176.237 176.300 -0.021 0.000 1.136 718 R CA 1.105 57.203 56.100 -0.004 0.000 0.959 718 R CB -0.061 30.263 30.300 0.040 0.000 0.856 718 R HN 0.669 nan 8.270 nan 0.000 0.437 719 E N 1.254 121.427 120.200 -0.047 0.000 2.373 719 E HA 0.019 4.394 4.350 0.041 0.000 0.263 719 E C -0.486 176.074 176.600 -0.066 0.000 1.073 719 E CA 0.069 56.453 56.400 -0.027 0.000 0.894 719 E CB 0.647 30.363 29.700 0.027 0.000 1.008 719 E HN 0.179 nan 8.360 nan 0.000 0.420 720 E N 1.631 121.815 120.200 -0.028 0.000 1.999 720 E HA 0.042 4.416 4.350 0.041 0.000 0.296 720 E C -0.095 176.462 176.600 -0.072 0.000 1.187 720 E CA -0.088 56.282 56.400 -0.051 0.000 1.229 720 E CB -0.154 29.530 29.700 -0.027 0.000 1.131 720 E HN 0.371 nan 8.360 nan 0.000 0.478 721 T N -1.208 113.274 114.554 -0.119 0.000 2.912 721 T HA 0.298 4.673 4.350 0.041 0.000 0.280 721 T C 0.470 175.070 174.700 -0.166 0.000 0.989 721 T CA -1.019 60.998 62.100 -0.138 0.000 0.995 721 T CB 1.147 69.923 68.868 -0.153 0.000 1.077 721 T HN 0.162 nan 8.240 nan 0.000 0.531 722 I N 2.164 122.631 120.570 -0.172 0.000 2.907 722 I HA 0.098 4.293 4.170 0.041 0.000 0.285 722 I C -0.054 176.081 176.117 0.030 0.000 1.189 722 I CA -0.429 60.789 61.300 -0.135 0.000 1.376 722 I CB -1.698 36.262 38.000 -0.067 0.000 1.420 722 I HN 0.727 nan 8.210 nan 0.000 0.544 723 F N 6.520 126.413 119.950 -0.094 0.000 3.079 723 F HA -0.347 4.204 4.527 0.040 0.000 0.274 723 F C 1.200 176.955 175.800 -0.075 0.000 0.940 723 F CA 1.064 59.020 58.000 -0.073 0.000 0.932 723 F CB -1.558 37.404 39.000 -0.063 0.000 0.891 723 F HN 0.681 nan 8.300 nan 0.000 0.722 724 R N -2.142 118.354 120.500 -0.008 0.000 3.627 724 R HA -0.220 4.144 4.340 0.041 0.000 0.281 724 R C 0.569 176.841 176.300 -0.046 0.000 1.140 724 R CA 0.750 56.818 56.100 -0.052 0.000 0.761 724 R CB -2.527 27.751 30.300 -0.037 0.000 1.181 724 R HN 0.536 nan 8.270 nan 0.000 0.472 725 S N 0.114 115.800 115.700 -0.022 0.000 2.655 725 S HA 0.547 5.042 4.470 0.041 0.000 0.265 725 S C 0.182 174.742 174.600 -0.067 0.000 1.240 725 S CA -0.708 57.486 58.200 -0.010 0.000 0.986 725 S CB 2.104 65.321 63.200 0.030 0.000 0.985 725 S HN 0.225 nan 8.310 nan 0.000 0.562 726 K N 0.151 120.560 120.400 0.014 0.000 2.316 726 K HA 0.572 4.917 4.320 0.041 0.000 0.251 726 K C -0.689 176.026 176.600 0.193 0.000 0.934 726 K CA -0.819 55.529 56.287 0.102 0.000 0.802 726 K CB 2.050 34.638 32.500 0.147 0.000 1.171 726 K HN 0.825 nan 8.250 nan 0.000 0.426 727 A N 2.105 125.098 122.820 0.287 0.000 2.540 727 A HA 0.012 4.356 4.320 0.041 0.000 0.264 727 A C 0.700 178.360 177.584 0.126 0.000 1.080 727 A CA 0.113 52.242 52.037 0.154 0.000 0.776 727 A CB -0.103 18.954 19.000 0.095 0.000 1.011 727 A HN 0.531 nan 8.150 nan 0.000 0.514 728 V N 3.740 123.704 119.914 0.084 0.000 3.483 728 V HA 0.173 4.318 4.120 0.041 0.000 0.301 728 V C 1.721 177.808 176.094 -0.012 0.000 1.389 728 V CA 1.187 63.529 62.300 0.070 0.000 1.101 728 V CB -0.154 31.717 31.823 0.081 0.000 0.971 728 V HN 1.018 nan 8.190 nan 0.000 0.434 729 G N -0.012 108.773 108.800 -0.025 0.000 2.434 729 G HA2 -0.158 3.827 3.960 0.041 0.000 0.214 729 G HA3 -0.158 3.827 3.960 0.041 0.000 0.214 729 G C 1.289 176.144 174.900 -0.076 0.000 1.202 729 G CA 1.030 46.106 45.100 -0.041 0.000 0.788 729 G HN 0.557 nan 8.290 nan 0.000 0.539 730 E N 0.372 120.464 120.200 -0.179 0.000 2.099 730 E HA 0.015 4.390 4.350 0.041 0.000 0.191 730 E C -0.160 176.130 176.600 -0.518 0.000 0.962 730 E CA 0.117 56.311 56.400 -0.344 0.000 0.826 730 E CB -0.004 29.405 29.700 -0.485 0.000 0.788 730 E HN 0.235 nan 8.360 nan 0.000 0.461 731 P HA -0.186 nan 4.420 nan 0.000 0.218 731 P C -1.646 175.595 177.300 -0.099 0.000 1.154 731 P CA 2.160 65.011 63.100 -0.415 0.000 0.872 731 P CB -0.956 30.757 31.700 0.021 0.000 0.790 732 P HA -0.147 nan 4.420 nan 0.000 0.226 732 P C 1.480 178.794 177.300 0.024 0.000 1.153 732 P CA 0.836 63.848 63.100 -0.147 0.000 0.777 732 P CB -0.560 30.937 31.700 -0.339 0.000 0.794 733 F N 1.176 121.058 119.950 -0.113 0.000 2.161 733 F HA -0.178 4.374 4.527 0.042 0.000 0.300 733 F C 1.763 177.543 175.800 -0.034 0.000 1.089 733 F CA 1.287 59.240 58.000 -0.078 0.000 1.282 733 F CB -0.717 38.197 39.000 -0.143 0.000 1.010 733 F HN -0.266 nan 8.300 nan 0.000 0.485 734 L N 0.085 121.363 121.223 0.092 0.000 2.362 734 L HA -0.132 4.233 4.340 0.041 0.000 0.219 734 L C 2.009 178.922 176.870 0.072 0.000 1.134 734 L CA 0.944 55.844 54.840 0.101 0.000 0.807 734 L CB -0.759 41.396 42.059 0.161 0.000 0.927 734 L HN 0.200 nan 8.230 nan 0.000 0.447 735 L N -0.919 120.356 121.223 0.088 0.000 2.265 735 L HA -0.108 4.257 4.340 0.041 0.000 0.215 735 L C 2.455 179.425 176.870 0.166 0.000 1.117 735 L CA 0.940 55.890 54.840 0.184 0.000 0.782 735 L CB -1.043 41.186 42.059 0.284 0.000 0.914 735 L HN 0.391 nan 8.230 nan 0.000 0.441 736 G N 0.233 108.968 108.800 -0.108 0.000 2.501 736 G HA2 -0.205 3.779 3.960 0.041 0.000 0.220 736 G HA3 -0.205 3.779 3.960 0.041 0.000 0.220 736 G C 1.561 176.380 174.900 -0.135 0.000 1.114 736 G CA 0.377 45.267 45.100 -0.350 0.000 0.757 736 G HN 0.334 nan 8.290 nan 0.000 0.559 737 I N 1.807 122.376 120.570 -0.003 0.000 2.286 737 I HA -0.238 3.957 4.170 0.041 0.000 0.248 737 I C 3.120 179.312 176.117 0.124 0.000 1.115 737 I CA 1.453 62.796 61.300 0.073 0.000 1.392 737 I CB -0.199 37.872 38.000 0.118 0.000 1.065 737 I HN 0.326 nan 8.210 nan 0.000 0.418 738 S N 1.228 117.008 115.700 0.133 0.000 2.419 738 S HA -0.200 4.295 4.470 0.041 0.000 0.235 738 S C 2.143 176.814 174.600 0.118 0.000 1.019 738 S CA 1.004 59.289 58.200 0.143 0.000 0.982 738 S CB -0.546 62.753 63.200 0.165 0.000 0.789 738 S HN 0.437 nan 8.310 nan 0.000 0.490 739 A N 0.934 123.806 122.820 0.086 0.000 1.897 739 A HA 0.166 4.511 4.320 0.041 0.000 0.215 739 A C 1.922 179.529 177.584 0.038 0.000 1.181 739 A CA 1.145 53.200 52.037 0.032 0.000 0.620 739 A CB -0.976 17.977 19.000 -0.078 0.000 0.821 739 A HN 0.569 nan 8.150 nan 0.000 0.443 740 F N -0.041 119.856 119.950 -0.088 0.000 2.186 740 F HA -0.066 4.486 4.527 0.041 0.000 0.299 740 F C 1.734 177.513 175.800 -0.036 0.000 1.090 740 F CA 1.094 59.041 58.000 -0.088 0.000 1.307 740 F CB -0.076 38.846 39.000 -0.129 0.000 1.019 740 F HN 0.130 nan 8.300 nan 0.000 0.489 741 L N 0.250 121.511 121.223 0.063 0.000 2.093 741 L HA -0.045 4.319 4.340 0.041 0.000 0.208 741 L C 2.666 179.546 176.870 0.016 0.000 1.085 741 L CA 1.796 56.650 54.840 0.023 0.000 0.755 741 L CB -1.684 40.435 42.059 0.100 0.000 0.904 741 L HN 0.202 nan 8.230 nan 0.000 0.435 742 A N -1.288 121.538 122.820 0.010 0.000 1.930 742 A HA -0.159 4.186 4.320 0.041 0.000 0.217 742 A C 2.204 179.740 177.584 -0.081 0.000 1.175 742 A CA 1.278 53.310 52.037 -0.009 0.000 0.627 742 A CB -0.669 18.336 19.000 0.009 0.000 0.815 742 A HN 0.297 nan 8.150 nan 0.000 0.443 743 L N -0.546 120.597 121.223 -0.134 0.000 2.046 743 L HA -0.151 4.214 4.340 0.041 0.000 0.208 743 L C 2.378 179.096 176.870 -0.252 0.000 1.077 743 L CA 2.555 57.278 54.840 -0.195 0.000 0.747 743 L CB -1.084 40.835 42.059 -0.234 0.000 0.896 743 L HN 0.731 nan 8.230 nan 0.000 0.432 744 H N -1.324 117.494 119.070 -0.419 0.000 2.353 744 H HA -0.194 4.387 4.556 0.041 0.000 0.300 744 H C 1.987 177.150 175.328 -0.276 0.000 1.090 744 H CA 2.093 57.886 56.048 -0.424 0.000 1.327 744 H CB -0.110 29.351 29.762 -0.501 0.000 1.383 744 H HN 0.444 nan 8.280 nan 0.000 0.508 745 D N -0.207 120.030 120.400 -0.271 0.000 2.144 745 D HA -0.138 4.527 4.640 0.041 0.000 0.199 745 D C 2.242 178.403 176.300 -0.232 0.000 0.984 745 D CA 1.499 55.356 54.000 -0.238 0.000 0.834 745 D CB -0.405 40.362 40.800 -0.055 0.000 0.955 745 D HN 0.542 nan 8.370 nan 0.000 0.465 746 A N -0.475 122.231 122.820 -0.189 0.000 1.902 746 A HA -0.166 4.178 4.320 0.041 0.000 0.217 746 A C 2.520 180.001 177.584 -0.173 0.000 1.181 746 A CA 1.453 53.405 52.037 -0.143 0.000 0.623 746 A CB -0.955 17.978 19.000 -0.112 0.000 0.818 746 A HN 0.505 nan 8.150 nan 0.000 0.443 747 C N -1.094 118.053 119.300 -0.254 0.000 2.446 747 C HA 0.124 4.608 4.460 0.041 0.000 0.277 747 C C 3.273 178.093 174.990 -0.284 0.000 1.275 747 C CA 0.588 59.450 59.018 -0.261 0.000 1.727 747 C CB -1.284 26.271 27.740 -0.310 0.000 2.010 747 C HN 0.704 nan 8.230 nan 0.000 0.486 748 A N 0.452 123.025 122.820 -0.412 0.000 2.019 748 A HA 0.094 4.439 4.320 0.041 0.000 0.219 748 A C 2.179 179.655 177.584 -0.181 0.000 1.164 748 A CA 1.757 53.593 52.037 -0.334 0.000 0.644 748 A CB -0.589 18.154 19.000 -0.428 0.000 0.805 748 A HN 0.601 nan 8.150 nan 0.000 0.449 749 A N -1.765 120.961 122.820 -0.157 0.000 2.235 749 A HA 0.102 4.447 4.320 0.041 0.000 0.208 749 A C 1.582 179.123 177.584 -0.072 0.000 1.172 749 A CA 1.104 53.086 52.037 -0.092 0.000 0.786 749 A CB -0.898 18.064 19.000 -0.064 0.000 0.804 749 A HN 0.595 nan 8.150 nan 0.000 0.479 750 C N -1.459 117.789 119.300 -0.086 0.000 2.926 750 C HA 0.575 5.060 4.460 0.041 0.000 0.272 750 C C 1.320 176.282 174.990 -0.047 0.000 1.249 750 C CA 0.030 59.011 59.018 -0.062 0.000 1.691 750 C CB -0.957 26.742 27.740 -0.068 0.000 1.983 750 C HN 0.791 nan 8.230 nan 0.000 0.615 751 G N 0.771 109.540 108.800 -0.052 0.000 2.316 751 G HA2 0.335 4.320 3.960 0.041 0.000 0.296 751 G HA3 0.335 4.320 3.960 0.041 0.000 0.296 751 G C -2.510 172.353 174.900 -0.063 0.000 1.399 751 G CA -0.171 44.906 45.100 -0.039 0.000 0.833 751 G HN -0.214 nan 8.290 nan 0.000 0.565 752 P HA 0.032 nan 4.420 nan 0.000 0.225 752 P C 0.253 177.442 177.300 -0.186 0.000 1.156 752 P CA 0.688 63.674 63.100 -0.190 0.000 0.787 752 P CB 0.042 31.563 31.700 -0.298 0.000 0.802 753 H N -0.968 118.118 119.070 0.028 0.000 2.546 753 H HA 0.049 4.629 4.556 0.041 0.000 0.365 753 H C 0.048 175.436 175.328 0.100 0.000 1.220 753 H CA -0.536 55.555 56.048 0.071 0.000 1.386 753 H CB 0.533 30.328 29.762 0.054 0.000 1.510 753 H HN 0.191 nan 8.280 nan 0.000 0.591 754 W N 4.162 125.525 121.300 0.105 0.000 2.446 754 W HA 0.057 4.742 4.660 0.041 0.000 0.316 754 W C -2.167 174.371 176.519 0.032 0.000 1.376 754 W CA -1.821 55.534 57.345 0.016 0.000 1.300 754 W CB 0.505 29.941 29.460 -0.039 0.000 1.351 754 W HN 0.494 nan 8.180 nan 0.000 0.530 755 P HA -0.213 nan 4.420 nan 0.000 0.216 755 P C 0.072 177.050 177.300 -0.537 0.000 1.153 755 P CA 1.821 64.621 63.100 -0.501 0.000 0.848 755 P CB 0.104 31.483 31.700 -0.535 0.000 0.787 756 D N -2.745 117.037 120.400 -1.029 0.000 2.718 756 D HA -0.147 4.518 4.640 0.041 0.000 0.242 756 D C -0.635 175.584 176.300 -0.135 0.000 1.123 756 D CA 0.091 53.847 54.000 -0.406 0.000 0.690 756 D CB -1.413 39.422 40.800 0.058 0.000 1.059 756 D HN -0.027 nan 8.370 nan 0.000 0.429 757 L N 1.208 122.302 121.223 -0.216 0.000 2.455 757 L HA 0.228 4.593 4.340 0.041 0.000 0.272 757 L C 0.318 177.334 176.870 0.244 0.000 1.174 757 L CA 0.573 55.364 54.840 -0.082 0.000 0.869 757 L CB 0.775 42.639 42.059 -0.325 0.000 1.130 757 L HN 0.075 nan 8.230 nan 0.000 0.474 758 Q N 3.926 123.909 119.800 0.304 0.000 2.226 758 Q HA 0.642 5.007 4.340 0.041 0.000 0.256 758 Q C -0.647 175.600 176.000 0.411 0.000 0.962 758 Q CA -0.576 55.477 55.803 0.418 0.000 0.887 758 Q CB 1.642 30.528 28.738 0.246 0.000 1.282 758 Q HN 0.789 nan 8.270 nan 0.000 0.449 759 A N 3.157 126.080 122.820 0.171 0.000 2.292 759 A HA 0.626 4.971 4.320 0.041 0.000 0.319 759 A C -2.193 175.305 177.584 -0.143 0.000 1.206 759 A CA -1.434 50.487 52.037 -0.193 0.000 0.835 759 A CB 0.301 18.872 19.000 -0.714 0.000 1.164 759 A HN 0.392 nan 8.150 nan 0.000 0.505 760 P HA 0.301 nan 4.420 nan 0.000 0.276 760 P C -0.256 177.070 177.300 0.042 0.000 1.244 760 P CA -0.203 62.818 63.100 -0.132 0.000 0.801 760 P CB 1.259 32.883 31.700 -0.128 0.000 1.006 761 A N 1.747 124.639 122.820 0.121 0.000 3.126 761 A HA 0.332 4.677 4.320 0.041 0.000 0.268 761 A C 0.917 178.506 177.584 0.008 0.000 1.605 761 A CA -0.278 51.829 52.037 0.116 0.000 1.305 761 A CB -1.527 17.548 19.000 0.124 0.000 1.160 761 A HN 0.594 nan 8.150 nan 0.000 0.609 762 T N -1.569 112.981 114.554 -0.008 0.000 2.856 762 T HA 0.241 4.616 4.350 0.041 0.000 0.306 762 T C -1.513 173.167 174.700 -0.033 0.000 1.062 762 T CA -1.023 61.057 62.100 -0.033 0.000 1.083 762 T CB 0.367 69.215 68.868 -0.034 0.000 0.984 762 T HN 0.158 nan 8.240 nan 0.000 0.542 763 P HA -0.183 nan 4.420 nan 0.000 0.218 763 P C 1.445 178.727 177.300 -0.030 0.000 1.152 763 P CA 1.502 64.580 63.100 -0.037 0.000 0.857 763 P CB 0.067 31.745 31.700 -0.036 0.000 0.787 764 E N -0.777 119.409 120.200 -0.023 0.000 2.047 764 E HA -0.155 4.220 4.350 0.041 0.000 0.191 764 E C 1.964 178.557 176.600 -0.012 0.000 0.987 764 E CA 1.195 57.586 56.400 -0.015 0.000 0.799 764 E CB -0.529 29.166 29.700 -0.008 0.000 0.752 764 E HN 0.078 nan 8.360 nan 0.000 0.449 765 A N 0.339 123.156 122.820 -0.005 0.000 1.969 765 A HA -0.085 4.260 4.320 0.041 0.000 0.218 765 A C 2.339 179.911 177.584 -0.020 0.000 1.169 765 A CA 1.130 53.172 52.037 0.007 0.000 0.635 765 A CB -0.407 18.614 19.000 0.036 0.000 0.810 765 A HN 0.227 nan 8.150 nan 0.000 0.445 766 V N -0.368 119.522 119.914 -0.040 0.000 2.307 766 V HA -0.200 3.945 4.120 0.041 0.000 0.245 766 V C 2.452 178.504 176.094 -0.070 0.000 1.045 766 V CA 1.842 64.098 62.300 -0.073 0.000 1.024 766 V CB -0.698 31.079 31.823 -0.077 0.000 0.651 766 V HN 0.584 nan 8.190 nan 0.000 0.449 767 L N 0.879 122.072 121.223 -0.049 0.000 2.079 767 L HA -0.116 4.249 4.340 0.041 0.000 0.210 767 L C 2.402 179.246 176.870 -0.043 0.000 1.081 767 L CA 2.308 57.122 54.840 -0.043 0.000 0.752 767 L CB -0.887 41.153 42.059 -0.031 0.000 0.896 767 L HN 0.239 nan 8.230 nan 0.000 0.433 768 A N -0.642 122.156 122.820 -0.036 0.000 1.902 768 A HA -0.077 4.268 4.320 0.041 0.000 0.217 768 A C 2.426 179.979 177.584 -0.052 0.000 1.181 768 A CA 1.687 53.706 52.037 -0.030 0.000 0.623 768 A CB -1.078 17.916 19.000 -0.011 0.000 0.818 768 A HN 0.542 nan 8.150 nan 0.000 0.443 769 A N -0.723 122.051 122.820 -0.077 0.000 1.968 769 A HA 0.114 4.459 4.320 0.041 0.000 0.217 769 A C 2.182 179.685 177.584 -0.136 0.000 1.169 769 A CA 1.472 53.431 52.037 -0.129 0.000 0.638 769 A CB -0.710 18.186 19.000 -0.174 0.000 0.812 769 A HN 0.326 nan 8.150 nan 0.000 0.446 770 V N 0.321 120.170 119.914 -0.107 0.000 2.261 770 V HA -0.241 3.903 4.120 0.041 0.000 0.246 770 V C 2.544 178.599 176.094 -0.065 0.000 1.047 770 V CA 2.124 64.369 62.300 -0.091 0.000 1.015 770 V CB -0.714 31.066 31.823 -0.071 0.000 0.642 770 V HN 0.513 nan 8.190 nan 0.000 0.446 771 R N -0.556 119.913 120.500 -0.052 0.000 2.280 771 R HA 0.016 4.381 4.340 0.041 0.000 0.207 771 R C 2.382 178.660 176.300 -0.036 0.000 1.043 771 R CA 0.520 56.598 56.100 -0.036 0.000 1.006 771 R CB -0.195 30.087 30.300 -0.031 0.000 0.885 771 R HN 0.508 nan 8.270 nan 0.000 0.467 772 R N 0.302 120.773 120.500 -0.049 0.000 2.062 772 R HA 0.047 4.412 4.340 0.041 0.000 0.226 772 R C 2.276 178.575 176.300 -0.002 0.000 1.125 772 R CA 1.139 57.209 56.100 -0.050 0.000 0.966 772 R CB -0.200 30.066 30.300 -0.056 0.000 0.861 772 R HN 0.110 nan 8.270 nan 0.000 0.433 773 A N 1.421 124.237 122.820 -0.006 0.000 1.933 773 A HA -0.188 4.157 4.320 0.041 0.000 0.218 773 A C 1.819 179.468 177.584 0.109 0.000 1.175 773 A CA 1.386 53.452 52.037 0.048 0.000 0.628 773 A CB -0.325 18.635 19.000 -0.066 0.000 0.814 773 A HN 0.315 nan 8.150 nan 0.000 0.444 774 E N -1.422 118.807 120.200 0.048 0.000 2.268 774 E HA 0.124 4.498 4.350 0.041 0.000 0.195 774 E C 1.031 177.695 176.600 0.107 0.000 0.995 774 E CA 0.331 56.764 56.400 0.055 0.000 0.836 774 E CB -0.242 29.462 29.700 0.007 0.000 0.763 774 E HN 0.782 nan 8.360 nan 0.000 0.491 775 G N 1.964 110.810 108.800 0.077 0.000 2.289 775 G HA2 -0.311 3.673 3.960 0.041 0.000 0.280 775 G HA3 -0.311 3.673 3.960 0.041 0.000 0.280 775 G C -0.209 174.671 174.900 -0.033 0.000 1.089 775 G CA 0.013 45.088 45.100 -0.040 0.000 0.939 775 G HN 0.151 nan 8.290 nan 0.000 0.499 776 R N 0.287 120.767 120.500 -0.033 0.000 3.050 776 R HA 0.615 4.980 4.340 0.041 0.000 0.275 776 R C 1.164 177.446 176.300 -0.031 0.000 1.373 776 R CA 0.127 56.213 56.100 -0.023 0.000 1.612 776 R CB 0.456 30.746 30.300 -0.015 0.000 1.218 776 R HN 1.654 nan 8.270 nan 0.000 0.621 777 A N 0.000 122.798 122.820 -0.037 0.000 2.254 777 A HA 0.000 4.345 4.320 0.041 0.000 0.244 777 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 777 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486