REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jrp_1_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 -0.187 0.000 1.055 2 S CA 0.000 58.107 58.200 -0.155 0.000 1.107 2 S CB 0.000 63.114 63.200 -0.144 0.000 0.593 3 V N 2.489 122.227 119.914 -0.293 0.000 2.673 3 V HA 0.428 4.571 4.120 0.038 0.000 0.303 3 V C 1.651 177.607 176.094 -0.231 0.000 1.046 3 V CA 2.050 64.145 62.300 -0.342 0.000 1.126 3 V CB 0.616 32.044 31.823 -0.658 0.000 0.934 3 V HN 0.887 nan 8.190 nan 0.000 0.487 4 G N 4.301 113.007 108.800 -0.156 0.000 2.279 4 G HA2 -0.184 3.799 3.960 0.038 0.000 0.223 4 G HA3 -0.184 3.799 3.960 0.038 0.000 0.223 4 G C 0.239 175.093 174.900 -0.077 0.000 1.015 4 G CA -0.010 45.028 45.100 -0.103 0.000 0.621 4 G HN 0.597 nan 8.290 nan 0.000 0.506 5 K N 1.927 122.278 120.400 -0.082 0.000 2.144 5 K HA 0.443 4.785 4.320 0.038 0.000 0.270 5 K C -2.382 174.188 176.600 -0.050 0.000 1.005 5 K CA -1.439 54.812 56.287 -0.060 0.000 0.932 5 K CB 1.899 34.363 32.500 -0.059 0.000 1.021 5 K HN 0.073 nan 8.250 nan 0.000 0.462 6 P HA 0.078 nan 4.420 nan 0.000 0.226 6 P C -0.613 176.672 177.300 -0.024 0.000 1.783 6 P CA 0.094 63.177 63.100 -0.028 0.000 0.980 6 P CB -0.106 31.581 31.700 -0.021 0.000 1.967 7 L N 2.628 123.833 121.223 -0.031 0.000 2.418 7 L HA 0.408 4.771 4.340 0.038 0.000 0.265 7 L C -1.486 175.377 176.870 -0.011 0.000 1.143 7 L CA -2.402 52.424 54.840 -0.025 0.000 0.809 7 L CB 0.126 42.162 42.059 -0.038 0.000 1.124 7 L HN 0.038 nan 8.230 nan 0.000 0.456 8 P HA -0.025 nan 4.420 nan 0.000 0.272 8 P C -0.570 176.759 177.300 0.048 0.000 1.240 8 P CA -0.293 62.828 63.100 0.034 0.000 0.791 8 P CB 0.422 32.139 31.700 0.028 0.000 0.978 9 H N 1.899 120.957 119.070 -0.019 0.000 2.948 9 H HA -0.085 4.492 4.556 0.036 0.000 0.351 9 H C 1.326 176.622 175.328 -0.053 0.000 1.079 9 H CA 0.971 57.008 56.048 -0.019 0.000 1.407 9 H CB 0.555 30.319 29.762 0.005 0.000 1.373 9 H HN 0.550 nan 8.280 nan 0.000 0.605 10 D N 1.875 122.156 120.400 -0.199 0.000 2.218 10 D HA -0.128 4.535 4.640 0.038 0.000 0.204 10 D C 0.110 176.444 176.300 0.056 0.000 0.976 10 D CA 0.801 54.773 54.000 -0.046 0.000 0.853 10 D CB 0.134 40.894 40.800 -0.068 0.000 0.939 10 D HN 0.242 nan 8.370 nan 0.000 0.481 11 S N -0.058 115.776 115.700 0.223 0.000 2.581 11 S HA 0.508 5.000 4.470 0.038 0.000 0.245 11 S C 1.223 175.463 174.600 -0.600 0.000 1.115 11 S CA -0.098 57.995 58.200 -0.179 0.000 1.093 11 S CB 1.025 64.122 63.200 -0.171 0.000 0.853 11 S HN 0.454 nan 8.310 nan 0.000 0.479 12 A N 2.710 125.367 122.820 -0.272 0.000 1.841 12 A HA -0.168 4.174 4.320 0.038 0.000 0.216 12 A C 2.072 179.572 177.584 -0.139 0.000 1.199 12 A CA 1.680 53.576 52.037 -0.235 0.000 0.621 12 A CB -0.547 18.428 19.000 -0.043 0.000 0.835 12 A HN 0.511 nan 8.150 nan 0.000 0.445 13 R N -0.427 120.030 120.500 -0.072 0.000 2.096 13 R HA -0.158 4.205 4.340 0.038 0.000 0.240 13 R C 2.274 178.570 176.300 -0.006 0.000 1.139 13 R CA 1.733 57.820 56.100 -0.022 0.000 0.952 13 R CB -0.491 29.801 30.300 -0.014 0.000 0.854 13 R HN 0.453 nan 8.270 nan 0.000 0.436 14 A N 0.043 122.840 122.820 -0.039 0.000 1.978 14 A HA -0.194 4.149 4.320 0.038 0.000 0.220 14 A C 1.807 179.473 177.584 0.137 0.000 1.170 14 A CA 1.651 53.700 52.037 0.021 0.000 0.636 14 A CB -0.804 18.196 19.000 0.000 0.000 0.810 14 A HN 0.612 nan 8.150 nan 0.000 0.448 15 H N -2.045 117.044 119.070 0.033 0.000 2.357 15 H HA -0.029 4.549 4.556 0.036 0.000 0.301 15 H C 1.936 177.294 175.328 0.049 0.000 1.082 15 H CA 1.009 57.089 56.048 0.053 0.000 1.342 15 H CB 0.114 29.883 29.762 0.012 0.000 1.389 15 H HN 0.307 nan 8.280 nan 0.000 0.511 16 V N 1.098 121.117 119.914 0.176 0.000 3.217 16 V HA -0.110 4.033 4.120 0.038 0.000 0.264 16 V C 1.805 177.946 176.094 0.079 0.000 1.135 16 V CA 1.941 64.307 62.300 0.111 0.000 1.142 16 V CB -0.083 31.788 31.823 0.080 0.000 0.754 16 V HN 0.625 nan 8.190 nan 0.000 0.484 17 T N -4.127 110.472 114.554 0.075 0.000 3.040 17 T HA 0.345 4.718 4.350 0.038 0.000 0.266 17 T C 1.348 176.087 174.700 0.064 0.000 1.005 17 T CA 0.538 62.672 62.100 0.056 0.000 0.906 17 T CB 0.747 69.640 68.868 0.041 0.000 1.082 17 T HN 0.797 nan 8.240 nan 0.000 0.531 18 G N 1.815 110.670 108.800 0.091 0.000 2.160 18 G HA2 -0.295 3.687 3.960 0.038 0.000 0.251 18 G HA3 -0.295 3.687 3.960 0.038 0.000 0.251 18 G C 0.515 175.467 174.900 0.086 0.000 1.008 18 G CA 0.498 45.655 45.100 0.095 0.000 0.724 18 G HN 0.583 nan 8.290 nan 0.000 0.514 19 Q N -0.503 119.345 119.800 0.079 0.000 2.396 19 Q HA 0.512 4.875 4.340 0.038 0.000 0.209 19 Q C 1.713 177.747 176.000 0.056 0.000 0.906 19 Q CA 0.447 56.283 55.803 0.055 0.000 0.927 19 Q CB 0.491 29.249 28.738 0.033 0.000 1.069 19 Q HN 0.890 nan 8.270 nan 0.000 0.523 20 A N 1.792 124.668 122.820 0.093 0.000 2.520 20 A HA 0.163 4.506 4.320 0.038 0.000 0.245 20 A C -0.376 177.196 177.584 -0.021 0.000 1.072 20 A CA 0.076 52.129 52.037 0.027 0.000 0.761 20 A CB 0.126 19.184 19.000 0.097 0.000 1.004 20 A HN 0.201 nan 8.150 nan 0.000 0.499 21 R N 1.534 121.964 120.500 -0.117 0.000 2.407 21 R HA 0.528 4.891 4.340 0.038 0.000 0.303 21 R C -1.263 174.884 176.300 -0.254 0.000 0.981 21 R CA -0.294 55.768 56.100 -0.063 0.000 0.905 21 R CB 0.887 31.163 30.300 -0.040 0.000 1.099 21 R HN 0.719 nan 8.270 nan 0.000 0.459 22 Y N 0.868 121.156 120.300 -0.019 0.000 2.545 22 Y HA 0.171 4.745 4.550 0.040 0.000 0.324 22 Y C 1.533 177.402 175.900 -0.050 0.000 1.220 22 Y CA -0.983 57.097 58.100 -0.034 0.000 1.290 22 Y CB 0.395 38.828 38.460 -0.044 0.000 1.355 22 Y HN 0.431 nan 8.280 nan 0.000 0.516 23 L N 0.753 122.041 121.223 0.109 0.000 1.997 23 L HA -0.280 4.083 4.340 0.038 0.000 0.216 23 L C 1.761 178.624 176.870 -0.011 0.000 1.074 23 L CA 2.362 57.210 54.840 0.013 0.000 0.763 23 L CB -0.386 41.667 42.059 -0.009 0.000 0.890 23 L HN 0.812 nan 8.230 nan 0.000 0.434 24 D N -0.933 119.465 120.400 -0.003 0.000 2.350 24 D HA -0.162 4.501 4.640 0.038 0.000 0.216 24 D C 1.442 177.739 176.300 -0.006 0.000 0.968 24 D CA 0.857 54.842 54.000 -0.026 0.000 0.894 24 D CB -0.087 40.684 40.800 -0.049 0.000 0.909 24 D HN 0.498 nan 8.370 nan 0.000 0.520 25 D N -0.455 119.960 120.400 0.025 0.000 2.323 25 D HA -0.011 4.652 4.640 0.038 0.000 0.209 25 D C 0.742 177.034 176.300 -0.014 0.000 0.973 25 D CA 0.040 54.052 54.000 0.021 0.000 0.874 25 D CB 0.169 41.007 40.800 0.063 0.000 0.930 25 D HN 0.306 nan 8.370 nan 0.000 0.521 26 L N 2.266 123.460 121.223 -0.048 0.000 2.483 26 L HA 0.102 4.465 4.340 0.038 0.000 0.276 26 L C -1.898 174.927 176.870 -0.075 0.000 1.213 26 L CA -1.303 53.483 54.840 -0.091 0.000 0.843 26 L CB -0.325 41.628 42.059 -0.177 0.000 1.107 26 L HN -0.189 nan 8.230 nan 0.000 0.487 27 P HA 0.205 nan 4.420 nan 0.000 0.275 27 P C -1.122 176.143 177.300 -0.058 0.000 1.228 27 P CA -0.558 62.513 63.100 -0.047 0.000 0.786 27 P CB 0.774 32.449 31.700 -0.041 0.000 0.927 28 C N 0.876 120.155 119.300 -0.036 0.000 3.173 28 C HA 0.694 5.177 4.460 0.038 0.000 0.310 28 C C -2.703 172.278 174.990 -0.016 0.000 1.306 28 C CA -2.355 56.639 59.018 -0.039 0.000 1.426 28 C CB 0.196 27.901 27.740 -0.059 0.000 1.800 28 C HN 0.374 nan 8.230 nan 0.000 0.470 29 P HA 0.260 nan 4.420 nan 0.000 0.269 29 P C 0.842 178.150 177.300 0.013 0.000 1.211 29 P CA 0.479 63.578 63.100 -0.001 0.000 0.781 29 P CB 0.403 32.102 31.700 -0.002 0.000 0.877 30 A N 2.577 125.409 122.820 0.019 0.000 1.933 30 A HA -0.195 4.148 4.320 0.038 0.000 0.218 30 A C 1.561 179.170 177.584 0.041 0.000 1.175 30 A CA 1.769 53.825 52.037 0.032 0.000 0.628 30 A CB -1.138 17.878 19.000 0.026 0.000 0.814 30 A HN 0.745 nan 8.150 nan 0.000 0.444 31 N N -0.042 118.677 118.700 0.031 0.000 2.515 31 N HA -0.011 4.751 4.740 0.038 0.000 0.191 31 N C -0.167 175.365 175.510 0.036 0.000 1.182 31 N CA 0.682 53.755 53.050 0.037 0.000 0.879 31 N CB -1.242 37.263 38.487 0.029 0.000 0.984 31 N HN 0.162 nan 8.380 nan 0.000 0.453 32 T N 2.054 116.622 114.554 0.024 0.000 2.908 32 T HA 0.098 4.471 4.350 0.038 0.000 0.301 32 T C 0.668 175.366 174.700 -0.004 0.000 1.019 32 T CA -0.029 62.055 62.100 -0.027 0.000 1.152 32 T CB 0.456 69.280 68.868 -0.074 0.000 0.966 32 T HN 0.138 nan 8.240 nan 0.000 0.540 33 L N 3.492 124.696 121.223 -0.031 0.000 2.469 33 L HA 0.509 4.871 4.340 0.038 0.000 0.253 33 L C 0.710 177.469 176.870 -0.185 0.000 1.143 33 L CA -0.976 53.890 54.840 0.044 0.000 0.804 33 L CB 0.473 42.572 42.059 0.066 0.000 1.214 33 L HN 0.623 nan 8.230 nan 0.000 0.476 34 H N 0.833 119.934 119.070 0.051 0.000 2.768 34 H HA 0.624 5.205 4.556 0.042 0.000 0.371 34 H C -1.043 174.325 175.328 0.067 0.000 1.151 34 H CA -0.676 55.407 56.048 0.059 0.000 1.165 34 H CB 2.521 32.342 29.762 0.098 0.000 1.722 34 H HN 0.306 nan 8.280 nan 0.000 0.543 35 L N 0.861 122.165 121.223 0.135 0.000 2.333 35 L HA 0.870 5.233 4.340 0.038 0.000 0.263 35 L C -0.379 176.504 176.870 0.023 0.000 1.014 35 L CA -1.138 53.735 54.840 0.056 0.000 0.820 35 L CB 2.179 44.205 42.059 -0.055 0.000 1.352 35 L HN 0.646 nan 8.230 nan 0.000 0.421 36 A N 0.741 123.541 122.820 -0.033 0.000 2.574 36 A HA 0.744 5.087 4.320 0.038 0.000 0.297 36 A C -1.502 176.022 177.584 -0.099 0.000 1.062 36 A CA -0.419 51.584 52.037 -0.056 0.000 0.686 36 A CB 1.188 20.194 19.000 0.009 0.000 1.285 36 A HN 0.525 nan 8.150 nan 0.000 0.403 37 F N 0.811 120.778 119.950 0.027 0.000 2.371 37 F HA 0.543 5.094 4.527 0.040 0.000 0.329 37 F C 1.331 176.949 175.800 -0.304 0.000 1.107 37 F CA -0.065 57.865 58.000 -0.116 0.000 1.137 37 F CB 1.788 40.761 39.000 -0.045 0.000 1.214 37 F HN 0.689 nan 8.300 nan 0.000 0.536 38 G N 3.068 111.540 108.800 -0.547 0.000 2.335 38 G HA2 0.611 4.594 3.960 0.038 0.000 0.316 38 G HA3 0.611 4.594 3.960 0.038 0.000 0.316 38 G C -1.179 173.489 174.900 -0.386 0.000 1.129 38 G CA -0.627 44.064 45.100 -0.682 0.000 0.899 38 G HN 0.495 nan 8.290 nan 0.000 0.448 39 L N 1.557 122.696 121.223 -0.140 0.000 2.334 39 L HA 0.553 4.916 4.340 0.038 0.000 0.272 39 L C 0.958 177.784 176.870 -0.074 0.000 1.020 39 L CA -1.062 53.702 54.840 -0.127 0.000 0.812 39 L CB 1.809 43.794 42.059 -0.122 0.000 1.264 39 L HN 0.566 nan 8.230 nan 0.000 0.439 40 S N -0.081 115.532 115.700 -0.144 0.000 2.560 40 S HA 0.078 4.570 4.470 0.038 0.000 0.284 40 S C 0.882 175.396 174.600 -0.144 0.000 1.327 40 S CA 0.009 58.174 58.200 -0.059 0.000 1.055 40 S CB 0.670 63.761 63.200 -0.183 0.000 0.868 40 S HN 0.774 nan 8.310 nan 0.000 0.506 41 T N 1.007 115.455 114.554 -0.176 0.000 3.145 41 T HA 0.349 4.722 4.350 0.038 0.000 0.255 41 T C 0.004 174.465 174.700 -0.398 0.000 1.039 41 T CA -0.400 61.546 62.100 -0.257 0.000 0.928 41 T CB -0.099 68.660 68.868 -0.181 0.000 1.029 41 T HN 0.592 nan 8.240 nan 0.000 0.554 42 E N 0.371 120.258 120.200 -0.523 0.000 2.244 42 E HA 0.666 5.039 4.350 0.038 0.000 0.266 42 E C 0.608 177.029 176.600 -0.298 0.000 0.914 42 E CA -0.612 55.521 56.400 -0.444 0.000 0.794 42 E CB 2.029 31.380 29.700 -0.581 0.000 1.210 42 E HN 0.139 nan 8.360 nan 0.000 0.414 43 A N 1.246 123.937 122.820 -0.214 0.000 1.970 43 A HA 0.013 4.356 4.320 0.038 0.000 0.216 43 A C 0.959 178.459 177.584 -0.140 0.000 1.170 43 A CA 0.822 52.774 52.037 -0.143 0.000 0.645 43 A CB 0.351 19.288 19.000 -0.104 0.000 0.816 43 A HN 0.282 nan 8.150 nan 0.000 0.447 44 S N -1.580 114.023 115.700 -0.160 0.000 2.545 44 S HA 0.598 5.090 4.470 0.038 0.000 0.259 44 S C -0.813 173.701 174.600 -0.143 0.000 1.092 44 S CA 0.233 58.339 58.200 -0.156 0.000 1.054 44 S CB 0.375 63.517 63.200 -0.096 0.000 1.146 44 S HN 1.512 nan 8.310 nan 0.000 0.447 45 A N 2.846 125.574 122.820 -0.153 0.000 2.586 45 A HA 0.922 5.265 4.320 0.038 0.000 0.290 45 A C -0.708 176.847 177.584 -0.048 0.000 1.086 45 A CA -0.239 51.760 52.037 -0.062 0.000 0.665 45 A CB 0.546 19.555 19.000 0.015 0.000 1.279 45 A HN 1.552 nan 8.150 nan 0.000 0.423 46 A N 0.181 122.996 122.820 -0.008 0.000 2.316 46 A HA 0.706 5.048 4.320 0.038 0.000 0.284 46 A C -0.258 177.326 177.584 -0.000 0.000 1.115 46 A CA -0.316 51.712 52.037 -0.014 0.000 0.812 46 A CB -0.016 18.976 19.000 -0.013 0.000 1.064 46 A HN 0.731 nan 8.150 nan 0.000 0.489 47 I N 1.518 122.062 120.570 -0.043 0.000 2.365 47 I HA 0.242 4.435 4.170 0.038 0.000 0.291 47 I C 0.975 177.026 176.117 -0.110 0.000 1.004 47 I CA -0.100 61.122 61.300 -0.130 0.000 1.311 47 I CB 1.747 39.656 38.000 -0.152 0.000 1.401 47 I HN 0.770 nan 8.210 nan 0.000 0.491 48 T N 3.366 117.834 114.554 -0.143 0.000 2.999 48 T HA 0.246 4.619 4.350 0.038 0.000 0.247 48 T C 0.383 175.026 174.700 -0.095 0.000 1.012 48 T CA 0.055 62.101 62.100 -0.089 0.000 1.048 48 T CB 0.604 69.437 68.868 -0.059 0.000 1.020 48 T HN 0.789 nan 8.240 nan 0.000 0.478 49 G N 0.830 109.547 108.800 -0.137 0.000 2.659 49 G HA2 0.598 4.581 3.960 0.038 0.000 0.296 49 G HA3 0.598 4.581 3.960 0.038 0.000 0.296 49 G C -2.175 172.631 174.900 -0.156 0.000 1.369 49 G CA -0.363 44.666 45.100 -0.118 0.000 0.937 49 G HN 0.139 nan 8.290 nan 0.000 0.485 50 L N 1.883 123.029 121.223 -0.129 0.000 2.514 50 L HA 0.446 4.809 4.340 0.038 0.000 0.257 50 L C -1.097 175.690 176.870 -0.139 0.000 1.101 50 L CA -0.970 53.783 54.840 -0.145 0.000 0.911 50 L CB 1.245 43.229 42.059 -0.126 0.000 1.162 50 L HN 0.552 nan 8.230 nan 0.000 0.477 51 D N 3.086 123.406 120.400 -0.133 0.000 2.316 51 D HA 0.277 4.939 4.640 0.038 0.000 0.245 51 D C 0.568 176.768 176.300 -0.167 0.000 1.171 51 D CA 0.048 53.975 54.000 -0.123 0.000 0.856 51 D CB 0.961 41.707 40.800 -0.089 0.000 1.090 51 D HN 0.555 nan 8.370 nan 0.000 0.476 52 L N 3.059 124.169 121.223 -0.189 0.000 2.693 52 L HA 0.189 4.552 4.340 0.038 0.000 0.235 52 L C 1.757 178.535 176.870 -0.152 0.000 1.127 52 L CA -0.171 54.523 54.840 -0.243 0.000 0.914 52 L CB 0.135 42.008 42.059 -0.309 0.000 1.193 52 L HN 0.365 nan 8.230 nan 0.000 0.502 53 E N 1.510 121.645 120.200 -0.108 0.000 2.097 53 E HA -0.201 4.172 4.350 0.038 0.000 0.196 53 E C -0.724 175.839 176.600 -0.060 0.000 1.000 53 E CA 1.884 58.238 56.400 -0.076 0.000 0.804 53 E CB -0.793 28.871 29.700 -0.059 0.000 0.740 53 E HN 0.263 nan 8.360 nan 0.000 0.454 54 P HA -0.142 nan 4.420 nan 0.000 0.219 54 P C 1.177 178.459 177.300 -0.030 0.000 1.146 54 P CA 0.992 64.072 63.100 -0.034 0.000 0.808 54 P CB 0.095 31.778 31.700 -0.029 0.000 0.779 55 V N 0.319 120.200 119.914 -0.056 0.000 2.239 55 V HA -0.215 3.928 4.120 0.038 0.000 0.242 55 V C 2.455 178.537 176.094 -0.021 0.000 1.038 55 V CA 1.711 63.992 62.300 -0.032 0.000 1.002 55 V CB -1.091 30.684 31.823 -0.081 0.000 0.641 55 V HN 0.041 nan 8.190 nan 0.000 0.449 56 R N 0.274 120.746 120.500 -0.047 0.000 2.133 56 R HA -0.249 4.114 4.340 0.038 0.000 0.247 56 R C 2.089 178.377 176.300 -0.020 0.000 1.151 56 R CA 1.914 57.992 56.100 -0.037 0.000 0.971 56 R CB -0.455 29.812 30.300 -0.055 0.000 0.866 56 R HN 0.605 nan 8.270 nan 0.000 0.447 57 E N 0.733 120.920 120.200 -0.021 0.000 2.478 57 E HA -0.016 4.356 4.350 0.038 0.000 0.198 57 E C 0.378 176.978 176.600 -0.001 0.000 1.046 57 E CA -0.022 56.371 56.400 -0.012 0.000 0.870 57 E CB 0.236 29.928 29.700 -0.015 0.000 0.818 57 E HN 0.069 nan 8.360 nan 0.000 0.527 58 S N 1.401 117.104 115.700 0.006 0.000 2.576 58 S HA 0.135 4.627 4.470 0.038 0.000 0.276 58 S C -2.411 172.199 174.600 0.017 0.000 1.339 58 S CA -1.787 56.422 58.200 0.015 0.000 1.039 58 S CB 0.536 63.751 63.200 0.026 0.000 0.902 58 S HN -0.166 nan 8.310 nan 0.000 0.516 59 P HA 0.176 nan 4.420 nan 0.000 0.264 59 P C 0.862 178.175 177.300 0.022 0.000 1.183 59 P CA 1.072 64.181 63.100 0.016 0.000 0.763 59 P CB 0.005 31.712 31.700 0.013 0.000 0.807 60 G N 0.939 109.753 108.800 0.023 0.000 2.168 60 G HA2 -0.233 3.750 3.960 0.038 0.000 0.263 60 G HA3 -0.233 3.750 3.960 0.038 0.000 0.263 60 G C 0.188 175.113 174.900 0.043 0.000 0.977 60 G CA 0.029 45.148 45.100 0.031 0.000 0.659 60 G HN 0.555 nan 8.290 nan 0.000 0.533 61 V N 0.972 120.910 119.914 0.039 0.000 2.785 61 V HA 0.521 4.663 4.120 0.038 0.000 0.300 61 V C 1.492 177.612 176.094 0.042 0.000 1.062 61 V CA -0.041 62.288 62.300 0.049 0.000 1.029 61 V CB 1.594 33.442 31.823 0.041 0.000 1.024 61 V HN 0.183 nan 8.190 nan 0.000 0.477 62 I N 1.619 122.222 120.570 0.054 0.000 4.033 62 I HA 0.390 4.583 4.170 0.038 0.000 0.296 62 I C 0.669 176.795 176.117 0.014 0.000 1.210 62 I CA 0.636 61.961 61.300 0.042 0.000 1.341 62 I CB 0.714 38.753 38.000 0.065 0.000 1.369 62 I HN 0.650 nan 8.210 nan 0.000 0.453 63 A N 0.851 123.680 122.820 0.015 0.000 2.539 63 A HA 0.748 5.090 4.320 0.038 0.000 0.296 63 A C -1.237 176.249 177.584 -0.162 0.000 1.073 63 A CA -0.335 51.624 52.037 -0.130 0.000 0.700 63 A CB 2.266 21.215 19.000 -0.084 0.000 1.296 63 A HN -0.137 nan 8.150 nan 0.000 0.405 64 V N 0.699 120.369 119.914 -0.407 0.000 2.876 64 V HA 0.760 4.902 4.120 0.038 0.000 0.312 64 V C -1.224 174.583 176.094 -0.477 0.000 1.085 64 V CA -0.359 61.812 62.300 -0.214 0.000 0.945 64 V CB 1.789 33.538 31.823 -0.123 0.000 1.017 64 V HN 0.803 nan 8.190 nan 0.000 0.428 65 F N 0.573 120.637 119.950 0.189 0.000 2.613 65 F HA 0.795 5.346 4.527 0.039 0.000 0.314 65 F C 0.249 176.172 175.800 0.204 0.000 1.075 65 F CA -0.434 57.665 58.000 0.165 0.000 0.945 65 F CB 2.783 41.884 39.000 0.168 0.000 1.310 65 F HN 0.386 nan 8.300 nan 0.000 0.467 66 T N -0.009 114.745 114.554 0.333 0.000 2.868 66 T HA 0.484 4.857 4.350 0.038 0.000 0.306 66 T C 0.521 175.340 174.700 0.197 0.000 1.224 66 T CA -0.005 62.235 62.100 0.233 0.000 1.012 66 T CB 1.787 70.734 68.868 0.132 0.000 1.221 66 T HN 0.701 nan 8.240 nan 0.000 0.499 67 A N 1.230 124.141 122.820 0.151 0.000 1.958 67 A HA -0.043 4.300 4.320 0.038 0.000 0.221 67 A C 2.336 179.981 177.584 0.102 0.000 1.178 67 A CA 2.543 54.651 52.037 0.119 0.000 0.642 67 A CB -1.027 18.029 19.000 0.094 0.000 0.816 67 A HN 1.003 nan 8.150 nan 0.000 0.453 68 A N -0.708 122.165 122.820 0.088 0.000 2.121 68 A HA -0.092 4.251 4.320 0.038 0.000 0.218 68 A C 1.500 179.133 177.584 0.082 0.000 1.154 68 A CA 1.457 53.534 52.037 0.066 0.000 0.679 68 A CB -0.334 18.693 19.000 0.044 0.000 0.795 68 A HN 0.535 nan 8.150 nan 0.000 0.458 69 D N -0.313 120.167 120.400 0.134 0.000 2.349 69 D HA 0.089 4.751 4.640 0.038 0.000 0.215 69 D C 0.305 176.703 176.300 0.163 0.000 1.016 69 D CA 0.085 54.188 54.000 0.171 0.000 0.870 69 D CB 0.002 40.974 40.800 0.288 0.000 0.917 69 D HN 0.349 nan 8.370 nan 0.000 0.524 70 L N 3.277 124.577 121.223 0.128 0.000 2.477 70 L HA 0.022 4.384 4.340 0.038 0.000 0.272 70 L C -0.779 176.112 176.870 0.035 0.000 1.157 70 L CA -0.838 54.056 54.840 0.090 0.000 0.889 70 L CB 0.648 42.759 42.059 0.086 0.000 1.158 70 L HN -0.152 nan 8.230 nan 0.000 0.473 71 P HA -0.091 nan 4.420 nan 0.000 0.222 71 P C 0.184 177.255 177.300 -0.381 0.000 1.147 71 P CA 1.497 64.523 63.100 -0.123 0.000 0.790 71 P CB 0.488 32.184 31.700 -0.008 0.000 0.780 72 H N -2.343 116.759 119.070 0.052 0.000 5.205 72 H HA 0.238 4.817 4.556 0.038 0.000 0.189 72 H C -0.164 175.192 175.328 0.048 0.000 1.304 72 H CA -0.631 55.447 56.048 0.051 0.000 0.223 72 H CB -0.520 29.278 29.762 0.060 0.000 1.620 72 H HN -0.224 nan 8.280 nan 0.000 0.316 73 D N 0.778 121.313 120.400 0.225 0.000 2.361 73 D HA 0.132 4.795 4.640 0.038 0.000 0.239 73 D C -0.219 176.142 176.300 0.101 0.000 1.200 73 D CA 0.383 54.455 54.000 0.121 0.000 0.915 73 D CB 0.361 41.219 40.800 0.095 0.000 1.170 73 D HN 0.330 nan 8.370 nan 0.000 0.444 74 N N 1.223 119.964 118.700 0.069 0.000 2.675 74 N HA 0.256 5.018 4.740 0.038 0.000 0.254 74 N C -2.271 173.259 175.510 0.034 0.000 1.224 74 N CA -0.561 52.523 53.050 0.057 0.000 0.777 74 N CB 0.362 38.888 38.487 0.065 0.000 1.256 74 N HN 0.290 nan 8.380 nan 0.000 0.531 75 D N 1.314 121.718 120.400 0.007 0.000 2.400 75 D HA 0.337 5.000 4.640 0.038 0.000 0.197 75 D C -0.934 175.325 176.300 -0.069 0.000 1.295 75 D CA -0.380 53.606 54.000 -0.024 0.000 0.878 75 D CB 0.889 41.688 40.800 -0.001 0.000 1.659 75 D HN 0.289 nan 8.370 nan 0.000 0.546 76 A N 2.812 125.532 122.820 -0.166 0.000 2.465 76 A HA 0.370 4.713 4.320 0.038 0.000 0.255 76 A C 0.851 178.368 177.584 -0.111 0.000 1.274 76 A CA 0.093 52.006 52.037 -0.206 0.000 0.920 76 A CB 0.029 18.696 19.000 -0.555 0.000 1.033 76 A HN 0.445 nan 8.150 nan 0.000 0.516 77 S N 1.160 116.802 115.700 -0.097 0.000 2.564 77 S HA 0.319 4.812 4.470 0.038 0.000 0.278 77 S C -1.603 172.953 174.600 -0.073 0.000 1.333 77 S CA -0.893 57.255 58.200 -0.086 0.000 1.048 77 S CB 0.762 63.891 63.200 -0.118 0.000 0.900 77 S HN 0.233 nan 8.310 nan 0.000 0.505 78 P HA 0.295 nan 4.420 nan 0.000 0.255 78 P C -0.323 176.952 177.300 -0.042 0.000 1.301 78 P CA 0.115 63.190 63.100 -0.042 0.000 0.817 78 P CB -0.235 31.473 31.700 0.013 0.000 1.259 79 A N 0.344 123.127 122.820 -0.061 0.000 2.569 79 A HA 0.638 4.981 4.320 0.038 0.000 0.290 79 A C -2.203 175.355 177.584 -0.044 0.000 1.136 79 A CA -1.333 50.674 52.037 -0.049 0.000 0.710 79 A CB 0.469 19.423 19.000 -0.077 0.000 1.303 79 A HN -0.269 nan 8.150 nan 0.000 0.413 80 P HA -0.027 nan 4.420 nan 0.000 0.222 80 P C 0.582 177.869 177.300 -0.022 0.000 1.147 80 P CA 1.492 64.585 63.100 -0.011 0.000 0.790 80 P CB -0.041 31.659 31.700 0.000 0.000 0.780 81 S N -1.152 114.524 115.700 -0.041 0.000 2.554 81 S HA 0.552 5.045 4.470 0.038 0.000 0.278 81 S C -2.716 171.851 174.600 -0.055 0.000 1.242 81 S CA -1.669 56.513 58.200 -0.031 0.000 1.051 81 S CB 0.905 64.099 63.200 -0.010 0.000 0.986 81 S HN -0.148 nan 8.310 nan 0.000 0.502 82 P HA 0.385 nan 4.420 nan 0.000 0.274 82 P C -0.929 176.329 177.300 -0.070 0.000 1.246 82 P CA -0.460 62.617 63.100 -0.038 0.000 0.795 82 P CB 0.434 32.133 31.700 -0.002 0.000 1.006 83 E N 1.527 121.682 120.200 -0.075 0.000 2.294 83 E HA 0.280 4.652 4.350 0.038 0.000 0.272 83 E C -2.720 173.895 176.600 0.026 0.000 0.896 83 E CA -2.459 53.879 56.400 -0.104 0.000 0.802 83 E CB 1.537 31.079 29.700 -0.263 0.000 1.267 83 E HN 0.241 nan 8.360 nan 0.000 0.406 84 P HA 0.018 nan 4.420 nan 0.000 0.274 84 P C 0.438 177.804 177.300 0.110 0.000 1.231 84 P CA -0.290 62.889 63.100 0.131 0.000 0.790 84 P CB 1.787 33.594 31.700 0.180 0.000 0.951 85 V N 2.067 121.993 119.914 0.019 0.000 2.426 85 V HA 0.014 4.156 4.120 0.038 0.000 0.242 85 V C 1.172 177.255 176.094 -0.019 0.000 1.036 85 V CA 1.223 63.498 62.300 -0.041 0.000 1.044 85 V CB -0.269 31.545 31.823 -0.014 0.000 0.688 85 V HN 0.396 nan 8.190 nan 0.000 0.462 86 L N 0.709 121.955 121.223 0.038 0.000 2.313 86 L HA 0.645 5.007 4.340 0.038 0.000 0.283 86 L C 0.326 177.238 176.870 0.070 0.000 1.013 86 L CA -0.726 54.139 54.840 0.041 0.000 0.816 86 L CB 1.371 43.499 42.059 0.115 0.000 1.236 86 L HN 0.187 nan 8.230 nan 0.000 0.419 87 A N 1.973 124.821 122.820 0.046 0.000 2.608 87 A HA 0.122 4.465 4.320 0.038 0.000 0.239 87 A C 0.701 178.334 177.584 0.080 0.000 1.018 87 A CA 0.470 52.545 52.037 0.063 0.000 0.766 87 A CB -0.313 18.694 19.000 0.012 0.000 0.928 87 A HN 0.764 nan 8.150 nan 0.000 0.512 88 T N 0.610 115.226 114.554 0.102 0.000 3.375 88 T HA 0.552 4.925 4.350 0.038 0.000 0.363 88 T C 1.110 175.853 174.700 0.073 0.000 1.837 88 T CA 0.379 62.532 62.100 0.088 0.000 1.445 88 T CB 0.159 69.088 68.868 0.103 0.000 1.089 88 T HN 2.417 nan 8.240 nan 0.000 0.722 89 G N 2.179 111.004 108.800 0.042 0.000 2.284 89 G HA2 -0.198 3.785 3.960 0.038 0.000 0.230 89 G HA3 -0.198 3.785 3.960 0.038 0.000 0.230 89 G C -0.207 174.692 174.900 -0.001 0.000 1.021 89 G CA 0.145 45.256 45.100 0.019 0.000 0.619 89 G HN 0.941 nan 8.290 nan 0.000 0.510 90 E N -0.619 119.584 120.200 0.006 0.000 2.413 90 E HA 0.685 5.057 4.350 0.038 0.000 0.277 90 E C -0.409 176.117 176.600 -0.124 0.000 0.958 90 E CA -0.794 55.562 56.400 -0.072 0.000 0.779 90 E CB 2.590 32.220 29.700 -0.116 0.000 1.278 90 E HN 1.030 nan 8.360 nan 0.000 0.456 91 V N -1.830 117.939 119.914 -0.242 0.000 3.019 91 V HA 0.500 4.643 4.120 0.038 0.000 0.317 91 V C -0.135 175.656 176.094 -0.505 0.000 1.094 91 V CA -0.556 61.581 62.300 -0.272 0.000 1.000 91 V CB 1.653 33.350 31.823 -0.211 0.000 1.060 91 V HN 0.921 nan 8.190 nan 0.000 0.443 92 H N 1.514 120.343 119.070 -0.403 0.000 3.398 92 H HA 0.401 4.979 4.556 0.038 0.000 0.260 92 H C -0.482 174.741 175.328 -0.175 0.000 1.189 92 H CA 0.548 56.455 56.048 -0.236 0.000 1.145 92 H CB 1.174 30.899 29.762 -0.062 0.000 1.599 92 H HN 0.763 nan 8.280 nan 0.000 0.615 93 F N -1.720 118.004 119.950 -0.378 0.000 2.807 93 F HA 0.490 5.039 4.527 0.037 0.000 0.316 93 F C -1.870 173.798 175.800 -0.220 0.000 1.162 93 F CA -1.384 56.453 58.000 -0.271 0.000 0.910 93 F CB 0.786 39.609 39.000 -0.296 0.000 1.314 93 F HN -0.349 nan 8.300 nan 0.000 0.454 94 V N 2.207 122.074 119.914 -0.079 0.000 2.432 94 V HA 0.590 4.733 4.120 0.038 0.000 0.271 94 V C 0.674 176.680 176.094 -0.146 0.000 1.046 94 V CA 0.948 63.125 62.300 -0.205 0.000 0.945 94 V CB 0.144 31.929 31.823 -0.063 0.000 0.992 94 V HN 1.489 nan 8.190 nan 0.000 0.471 95 G N 3.942 112.492 108.800 -0.417 0.000 2.617 95 G HA2 -0.174 3.809 3.960 0.038 0.000 0.197 95 G HA3 -0.174 3.809 3.960 0.038 0.000 0.197 95 G C 0.392 174.908 174.900 -0.640 0.000 1.017 95 G CA 0.050 45.002 45.100 -0.248 0.000 0.713 95 G HN 0.673 nan 8.290 nan 0.000 0.481 96 Q N 2.548 121.335 119.800 -1.688 0.000 2.262 96 Q HA 0.312 4.675 4.340 0.038 0.000 0.298 96 Q C -2.252 173.455 176.000 -0.488 0.000 1.083 96 Q CA -0.828 54.295 55.803 -1.133 0.000 0.962 96 Q CB 0.497 28.470 28.738 -1.274 0.000 1.104 96 Q HN 0.235 nan 8.270 nan 0.000 0.376 97 P HA -0.032 nan 4.420 nan 0.000 0.267 97 P C -0.450 176.699 177.300 -0.251 0.000 1.205 97 P CA 0.639 63.511 63.100 -0.379 0.000 0.765 97 P CB 0.580 31.767 31.700 -0.855 0.000 0.828 98 I N 2.580 123.051 120.570 -0.165 0.000 4.032 98 I HA 0.182 4.375 4.170 0.038 0.000 0.313 98 I C 0.450 176.675 176.117 0.179 0.000 1.272 98 I CA 0.361 61.669 61.300 0.013 0.000 1.307 98 I CB 0.197 38.265 38.000 0.114 0.000 1.155 98 I HN 0.300 nan 8.210 nan 0.000 0.431 99 F N -0.232 119.791 119.950 0.122 0.000 2.745 99 F HA 0.739 5.288 4.527 0.038 0.000 0.316 99 F C -1.637 174.362 175.800 0.332 0.000 1.155 99 F CA -1.495 56.621 58.000 0.193 0.000 0.937 99 F CB 1.381 40.459 39.000 0.130 0.000 1.361 99 F HN -0.295 nan 8.300 nan 0.000 0.472 100 L N 1.901 123.456 121.223 0.552 0.000 2.408 100 L HA 0.875 5.238 4.340 0.038 0.000 0.268 100 L C -1.766 175.390 176.870 0.477 0.000 0.986 100 L CA -0.724 54.389 54.840 0.456 0.000 0.820 100 L CB 2.223 44.564 42.059 0.470 0.000 1.303 100 L HN 0.644 nan 8.230 nan 0.000 0.411 101 V N 3.739 123.837 119.914 0.306 0.000 2.540 101 V HA 0.897 5.040 4.120 0.038 0.000 0.302 101 V C -0.112 176.111 176.094 0.215 0.000 1.035 101 V CA -0.350 62.116 62.300 0.276 0.000 0.873 101 V CB 1.459 33.417 31.823 0.225 0.000 0.992 101 V HN 0.971 nan 8.190 nan 0.000 0.428 102 A N 3.578 126.533 122.820 0.225 0.000 2.291 102 A HA 0.967 5.310 4.320 0.038 0.000 0.311 102 A C -0.057 177.617 177.584 0.150 0.000 1.224 102 A CA 0.051 52.202 52.037 0.190 0.000 0.821 102 A CB 1.125 20.270 19.000 0.242 0.000 1.172 102 A HN 1.372 nan 8.150 nan 0.000 0.494 103 A N 1.245 124.152 122.820 0.146 0.000 2.475 103 A HA 0.797 5.140 4.320 0.038 0.000 0.281 103 A C 0.915 178.583 177.584 0.140 0.000 1.263 103 A CA 0.294 52.401 52.037 0.118 0.000 0.776 103 A CB 0.178 19.234 19.000 0.094 0.000 1.347 103 A HN 1.358 nan 8.150 nan 0.000 0.443 104 T N -1.450 113.166 114.554 0.103 0.000 3.219 104 T HA 0.385 4.757 4.350 0.038 0.000 0.249 104 T C 0.380 175.127 174.700 0.078 0.000 1.099 104 T CA 0.686 62.856 62.100 0.116 0.000 0.988 104 T CB -0.868 68.043 68.868 0.071 0.000 0.999 104 T HN 1.833 nan 8.240 nan 0.000 0.550 105 S N -0.730 114.984 115.700 0.024 0.000 2.548 105 S HA 0.270 4.763 4.470 0.038 0.000 0.278 105 S C 0.377 174.928 174.600 -0.081 0.000 1.150 105 S CA -0.752 57.330 58.200 -0.196 0.000 0.907 105 S CB 0.982 64.107 63.200 -0.125 0.000 1.108 105 S HN 0.292 nan 8.310 nan 0.000 0.459 106 H N 3.166 122.038 119.070 -0.330 0.000 2.275 106 H HA -0.216 4.364 4.556 0.041 0.000 0.287 106 H C 1.973 177.282 175.328 -0.032 0.000 1.097 106 H CA 2.720 58.721 56.048 -0.078 0.000 1.169 106 H CB -0.032 29.683 29.762 -0.078 0.000 1.349 106 H HN 0.610 nan 8.280 nan 0.000 0.501 107 R N 0.216 120.688 120.500 -0.046 0.000 2.103 107 R HA -0.180 4.182 4.340 0.038 0.000 0.234 107 R C 2.600 178.861 176.300 -0.066 0.000 1.132 107 R CA 1.057 57.097 56.100 -0.100 0.000 0.925 107 R CB -1.125 29.150 30.300 -0.041 0.000 0.842 107 R HN 0.450 nan 8.270 nan 0.000 0.430 108 A N 1.534 124.338 122.820 -0.026 0.000 1.906 108 A HA -0.321 4.022 4.320 0.038 0.000 0.222 108 A C 2.487 180.079 177.584 0.012 0.000 1.282 108 A CA 2.967 55.004 52.037 -0.000 0.000 0.675 108 A CB -1.138 17.869 19.000 0.013 0.000 0.838 108 A HN 0.525 nan 8.150 nan 0.000 0.469 109 A N -1.035 121.801 122.820 0.026 0.000 1.892 109 A HA -0.235 4.108 4.320 0.038 0.000 0.218 109 A C 2.256 179.849 177.584 0.014 0.000 1.188 109 A CA 1.863 53.930 52.037 0.049 0.000 0.631 109 A CB -0.586 18.462 19.000 0.081 0.000 0.822 109 A HN 0.598 nan 8.150 nan 0.000 0.447 110 R N -0.761 119.698 120.500 -0.068 0.000 2.103 110 R HA -0.156 4.207 4.340 0.038 0.000 0.234 110 R C 2.130 178.422 176.300 -0.013 0.000 1.132 110 R CA 1.838 57.892 56.100 -0.077 0.000 0.925 110 R CB -0.761 29.434 30.300 -0.176 0.000 0.842 110 R HN 0.594 nan 8.270 nan 0.000 0.430 111 I N 0.731 121.292 120.570 -0.015 0.000 2.113 111 I HA -0.363 3.829 4.170 0.038 0.000 0.242 111 I C 2.619 178.762 176.117 0.044 0.000 1.057 111 I CA 1.721 63.028 61.300 0.012 0.000 1.314 111 I CB -0.426 37.579 38.000 0.008 0.000 1.022 111 I HN 0.281 nan 8.210 nan 0.000 0.408 112 A N 0.324 123.178 122.820 0.057 0.000 1.972 112 A HA -0.102 4.241 4.320 0.038 0.000 0.219 112 A C 2.452 180.126 177.584 0.150 0.000 1.169 112 A CA 1.557 53.649 52.037 0.092 0.000 0.635 112 A CB -0.756 18.305 19.000 0.101 0.000 0.810 112 A HN 0.470 nan 8.150 nan 0.000 0.446 113 A N -0.446 122.458 122.820 0.141 0.000 2.125 113 A HA -0.102 4.241 4.320 0.038 0.000 0.219 113 A C 2.008 179.714 177.584 0.202 0.000 1.156 113 A CA 1.278 53.431 52.037 0.194 0.000 0.671 113 A CB -0.364 18.673 19.000 0.061 0.000 0.794 113 A HN 0.531 nan 8.150 nan 0.000 0.459 114 R N -0.752 119.827 120.500 0.132 0.000 2.359 114 R HA 0.135 4.497 4.340 0.038 0.000 0.231 114 R C 0.605 176.971 176.300 0.111 0.000 0.913 114 R CA 0.211 56.380 56.100 0.115 0.000 1.075 114 R CB 0.158 30.500 30.300 0.069 0.000 1.087 114 R HN 0.376 nan 8.270 nan 0.000 0.515 115 K N 0.288 120.758 120.400 0.117 0.000 2.397 115 K HA 0.248 4.591 4.320 0.038 0.000 0.202 115 K C 0.149 176.776 176.600 0.046 0.000 1.022 115 K CA -0.232 56.094 56.287 0.066 0.000 1.141 115 K CB 1.216 33.741 32.500 0.042 0.000 0.857 115 K HN 0.042 nan 8.250 nan 0.000 0.514 116 A N 1.730 124.601 122.820 0.085 0.000 2.366 116 A HA 0.254 4.596 4.320 0.038 0.000 0.249 116 A C -0.151 177.432 177.584 -0.002 0.000 1.084 116 A CA -0.217 51.811 52.037 -0.015 0.000 0.794 116 A CB 0.352 19.323 19.000 -0.048 0.000 1.034 116 A HN 0.234 nan 8.150 nan 0.000 0.491 117 R N 1.097 121.566 120.500 -0.053 0.000 2.275 117 R HA 0.513 4.876 4.340 0.038 0.000 0.326 117 R C -1.293 174.962 176.300 -0.075 0.000 0.973 117 R CA -0.027 56.050 56.100 -0.038 0.000 0.854 117 R CB 0.857 31.133 30.300 -0.040 0.000 1.156 117 R HN 0.656 nan 8.270 nan 0.000 0.487 118 I N 1.980 122.508 120.570 -0.070 0.000 2.509 118 I HA 0.302 4.495 4.170 0.038 0.000 0.293 118 I C 0.245 176.215 176.117 -0.244 0.000 1.020 118 I CA -0.866 60.306 61.300 -0.213 0.000 1.088 118 I CB 2.522 40.344 38.000 -0.296 0.000 1.267 118 I HN 0.499 nan 8.210 nan 0.000 0.430 119 T N 1.741 116.105 114.554 -0.317 0.000 2.807 119 T HA 0.673 5.045 4.350 0.038 0.000 0.279 119 T C -1.017 173.507 174.700 -0.294 0.000 0.993 119 T CA -0.631 61.359 62.100 -0.183 0.000 0.970 119 T CB 1.110 69.933 68.868 -0.076 0.000 0.950 119 T HN 0.284 nan 8.240 nan 0.000 0.441 120 Y N 0.753 121.033 120.300 -0.033 0.000 2.509 120 Y HA 0.679 5.251 4.550 0.037 0.000 0.341 120 Y C 0.275 176.152 175.900 -0.039 0.000 1.038 120 Y CA -1.617 56.457 58.100 -0.043 0.000 1.089 120 Y CB 1.956 40.382 38.460 -0.056 0.000 1.241 120 Y HN 0.967 nan 8.280 nan 0.000 0.468 121 A N 3.935 126.820 122.820 0.108 0.000 2.540 121 A HA 0.599 4.942 4.320 0.038 0.000 0.340 121 A C -2.740 174.866 177.584 0.036 0.000 1.424 121 A CA -1.785 50.283 52.037 0.052 0.000 0.940 121 A CB -0.510 18.502 19.000 0.019 0.000 1.149 121 A HN 0.433 nan 8.150 nan 0.000 0.505 122 P HA 0.220 nan 4.420 nan 0.000 0.269 122 P C -0.185 177.100 177.300 -0.023 0.000 1.217 122 P CA 0.230 63.320 63.100 -0.017 0.000 0.783 122 P CB 0.488 32.168 31.700 -0.034 0.000 0.898 123 R N 1.165 121.641 120.500 -0.041 0.000 2.808 123 R HA 0.496 4.859 4.340 0.038 0.000 0.272 123 R C -2.552 173.726 176.300 -0.036 0.000 0.995 123 R CA -2.122 53.958 56.100 -0.034 0.000 0.917 123 R CB 0.629 30.905 30.300 -0.040 0.000 1.217 123 R HN 0.313 nan 8.270 nan 0.000 0.471 124 P HA 0.038 nan 4.420 nan 0.000 0.265 124 P C -1.180 176.102 177.300 -0.029 0.000 1.187 124 P CA 0.023 63.109 63.100 -0.023 0.000 0.766 124 P CB 0.609 32.300 31.700 -0.016 0.000 0.820 125 A N 3.462 126.263 122.820 -0.032 0.000 2.350 125 A HA 0.636 4.979 4.320 0.038 0.000 0.324 125 A C -0.295 177.268 177.584 -0.036 0.000 1.118 125 A CA -0.848 51.166 52.037 -0.038 0.000 0.783 125 A CB 0.613 19.581 19.000 -0.054 0.000 1.236 125 A HN 0.476 nan 8.150 nan 0.000 0.457 126 I N 2.999 123.548 120.570 -0.034 0.000 2.291 126 I HA 0.197 4.390 4.170 0.038 0.000 0.290 126 I C 0.236 176.308 176.117 -0.075 0.000 1.050 126 I CA 0.161 61.433 61.300 -0.046 0.000 1.245 126 I CB 0.850 38.825 38.000 -0.042 0.000 1.405 126 I HN 0.634 nan 8.210 nan 0.000 0.478 127 L N 4.748 125.919 121.223 -0.086 0.000 2.731 127 L HA 0.231 4.594 4.340 0.038 0.000 0.240 127 L C 0.657 177.443 176.870 -0.139 0.000 1.120 127 L CA 0.059 54.814 54.840 -0.142 0.000 0.913 127 L CB -0.023 41.958 42.059 -0.129 0.000 1.213 127 L HN 0.626 nan 8.230 nan 0.000 0.515 128 T N -4.288 110.213 114.554 -0.088 0.000 2.907 128 T HA 0.390 4.763 4.350 0.038 0.000 0.292 128 T C 0.822 175.480 174.700 -0.069 0.000 1.043 128 T CA -0.716 61.341 62.100 -0.072 0.000 1.003 128 T CB 2.296 71.143 68.868 -0.036 0.000 1.084 128 T HN -0.262 nan 8.240 nan 0.000 0.483 129 L N 1.678 122.862 121.223 -0.064 0.000 2.021 129 L HA -0.098 4.265 4.340 0.038 0.000 0.215 129 L C 2.081 178.913 176.870 -0.064 0.000 1.074 129 L CA 2.071 56.871 54.840 -0.067 0.000 0.760 129 L CB -1.557 40.468 42.059 -0.057 0.000 0.889 129 L HN 0.822 nan 8.230 nan 0.000 0.433 130 D N -1.582 118.790 120.400 -0.047 0.000 2.097 130 D HA -0.199 4.464 4.640 0.038 0.000 0.195 130 D C 2.176 178.449 176.300 -0.046 0.000 0.989 130 D CA 0.946 54.919 54.000 -0.045 0.000 0.827 130 D CB -0.231 40.553 40.800 -0.027 0.000 0.966 130 D HN 0.387 nan 8.370 nan 0.000 0.456 131 Q N 0.395 120.170 119.800 -0.041 0.000 2.077 131 Q HA -0.170 4.192 4.340 0.038 0.000 0.206 131 Q C 2.291 178.262 176.000 -0.048 0.000 0.989 131 Q CA 1.686 57.465 55.803 -0.039 0.000 0.853 131 Q CB -0.268 28.448 28.738 -0.037 0.000 0.907 131 Q HN 0.347 nan 8.270 nan 0.000 0.418 132 A N 0.593 123.377 122.820 -0.060 0.000 1.865 132 A HA -0.210 4.132 4.320 0.038 0.000 0.217 132 A C 1.999 179.543 177.584 -0.066 0.000 1.191 132 A CA 1.302 53.299 52.037 -0.067 0.000 0.623 132 A CB -0.789 18.164 19.000 -0.078 0.000 0.826 132 A HN 0.314 nan 8.150 nan 0.000 0.444 133 L N -0.286 120.891 121.223 -0.077 0.000 2.013 133 L HA -0.203 4.159 4.340 0.038 0.000 0.212 133 L C 2.928 179.762 176.870 -0.060 0.000 1.073 133 L CA 2.147 56.933 54.840 -0.090 0.000 0.753 133 L CB -1.328 40.663 42.059 -0.114 0.000 0.890 133 L HN 0.441 nan 8.230 nan 0.000 0.432 134 A N -0.927 121.864 122.820 -0.048 0.000 1.865 134 A HA -0.147 4.196 4.320 0.038 0.000 0.217 134 A C 2.210 179.777 177.584 -0.029 0.000 1.191 134 A CA 2.007 54.024 52.037 -0.034 0.000 0.623 134 A CB -0.988 17.995 19.000 -0.028 0.000 0.826 134 A HN 0.459 nan 8.150 nan 0.000 0.444 135 A N -1.485 121.315 122.820 -0.032 0.000 2.238 135 A HA 0.309 4.651 4.320 0.038 0.000 0.208 135 A C 0.716 178.282 177.584 -0.030 0.000 1.177 135 A CA 1.094 53.114 52.037 -0.028 0.000 0.804 135 A CB -0.584 18.399 19.000 -0.029 0.000 0.823 135 A HN 0.695 nan 8.150 nan 0.000 0.482 136 D N -0.813 119.568 120.400 -0.032 0.000 2.689 136 D HA -0.165 4.498 4.640 0.038 0.000 0.237 136 D C -0.015 176.257 176.300 -0.047 0.000 1.148 136 D CA 1.021 55.005 54.000 -0.027 0.000 0.656 136 D CB -1.377 39.416 40.800 -0.012 0.000 1.050 136 D HN 0.284 nan 8.370 nan 0.000 0.426 137 S N 0.813 116.472 115.700 -0.069 0.000 2.473 137 S HA 0.484 4.976 4.470 0.038 0.000 0.312 137 S C 0.051 174.548 174.600 -0.171 0.000 1.087 137 S CA -0.412 57.721 58.200 -0.112 0.000 1.077 137 S CB 0.115 63.254 63.200 -0.101 0.000 1.065 137 S HN 0.479 nan 8.310 nan 0.000 0.510 138 R N 2.755 123.127 120.500 -0.212 0.000 2.810 138 R HA 0.539 4.901 4.340 0.038 0.000 0.266 138 R C -1.634 174.484 176.300 -0.303 0.000 1.061 138 R CA -0.876 55.092 56.100 -0.221 0.000 0.943 138 R CB 0.596 30.870 30.300 -0.043 0.000 1.237 138 R HN 0.411 nan 8.270 nan 0.000 0.459 139 F N 0.522 120.472 119.950 -0.001 0.000 2.507 139 F HA 0.337 4.887 4.527 0.038 0.000 0.327 139 F C 0.263 176.056 175.800 -0.012 0.000 1.068 139 F CA -0.395 57.598 58.000 -0.010 0.000 0.965 139 F CB 1.802 40.789 39.000 -0.022 0.000 1.192 139 F HN 0.780 nan 8.300 nan 0.000 0.476 140 E N 0.577 120.897 120.200 0.199 0.000 2.833 140 E HA -0.178 4.194 4.350 0.038 0.000 0.289 140 E C 0.748 177.384 176.600 0.059 0.000 0.980 140 E CA 0.317 56.775 56.400 0.097 0.000 0.897 140 E CB -1.832 27.909 29.700 0.069 0.000 1.440 140 E HN 1.134 nan 8.360 nan 0.000 0.410 141 G N -0.212 108.622 108.800 0.057 0.000 2.450 141 G HA2 -0.025 3.957 3.960 0.038 0.000 0.302 141 G HA3 -0.025 3.957 3.960 0.038 0.000 0.302 141 G C 0.610 175.524 174.900 0.024 0.000 0.957 141 G CA 1.230 46.350 45.100 0.033 0.000 1.005 141 G HN 1.323 nan 8.290 nan 0.000 0.514 142 G N -1.453 107.362 108.800 0.025 0.000 2.362 142 G HA2 0.439 4.422 3.960 0.038 0.000 0.656 142 G HA3 0.439 4.422 3.960 0.038 0.000 0.656 142 G C -2.460 172.423 174.900 -0.028 0.000 1.376 142 G CA -0.189 44.919 45.100 0.014 0.000 0.971 142 G HN 0.680 nan 8.290 nan 0.000 0.636 143 P HA 0.495 nan 4.420 nan 0.000 0.273 143 P C -0.256 176.924 177.300 -0.200 0.000 1.250 143 P CA -0.282 62.643 63.100 -0.290 0.000 0.793 143 P CB 1.246 32.489 31.700 -0.762 0.000 1.011 144 V N 2.199 121.978 119.914 -0.226 0.000 2.435 144 V HA 0.356 4.499 4.120 0.038 0.000 0.290 144 V C 0.516 176.458 176.094 -0.254 0.000 1.030 144 V CA -0.468 61.715 62.300 -0.195 0.000 0.881 144 V CB 1.012 32.691 31.823 -0.240 0.000 0.983 144 V HN 0.350 nan 8.190 nan 0.000 0.445 145 I N 4.211 124.705 120.570 -0.127 0.000 2.465 145 I HA 0.530 4.723 4.170 0.038 0.000 0.291 145 I C -1.132 175.091 176.117 0.177 0.000 1.014 145 I CA -0.337 60.934 61.300 -0.047 0.000 1.093 145 I CB 2.014 40.023 38.000 0.016 0.000 1.267 145 I HN 0.482 nan 8.210 nan 0.000 0.431 146 W N 4.470 125.824 121.300 0.090 0.000 2.936 146 W HA 0.797 5.480 4.660 0.037 0.000 0.338 146 W C -0.623 175.980 176.519 0.140 0.000 1.121 146 W CA -1.470 55.953 57.345 0.130 0.000 1.209 146 W CB 1.924 31.506 29.460 0.202 0.000 1.420 146 W HN 0.444 nan 8.180 nan 0.000 0.516 147 A N 3.098 126.150 122.820 0.386 0.000 2.488 147 A HA 0.752 5.095 4.320 0.038 0.000 0.295 147 A C -1.303 176.402 177.584 0.203 0.000 1.045 147 A CA -0.865 51.324 52.037 0.252 0.000 0.703 147 A CB 2.059 21.162 19.000 0.172 0.000 1.271 147 A HN 0.549 nan 8.150 nan 0.000 0.400 148 R N 2.307 122.918 120.500 0.186 0.000 2.480 148 R HA 0.616 4.978 4.340 0.038 0.000 0.306 148 R C 0.413 176.766 176.300 0.089 0.000 0.958 148 R CA 0.747 56.930 56.100 0.138 0.000 0.861 148 R CB 1.262 31.661 30.300 0.166 0.000 1.171 148 R HN 2.496 nan 8.270 nan 0.000 0.445 149 G N 2.939 111.781 108.800 0.069 0.000 2.584 149 G HA2 -0.277 3.706 3.960 0.038 0.000 0.229 149 G HA3 -0.277 3.706 3.960 0.038 0.000 0.229 149 G C -1.172 173.755 174.900 0.044 0.000 1.320 149 G CA 0.174 45.302 45.100 0.047 0.000 0.891 149 G HN 0.673 nan 8.290 nan 0.000 0.573 150 D N 0.061 120.478 120.400 0.029 0.000 2.378 150 D HA 0.476 5.139 4.640 0.038 0.000 0.265 150 D C 1.804 178.111 176.300 0.012 0.000 1.229 150 D CA 0.341 54.356 54.000 0.025 0.000 0.914 150 D CB 0.689 41.503 40.800 0.022 0.000 1.140 150 D HN 0.929 nan 8.370 nan 0.000 0.516 151 V N 2.312 122.232 119.914 0.010 0.000 2.250 151 V HA -0.286 3.857 4.120 0.038 0.000 0.250 151 V C 2.023 178.107 176.094 -0.016 0.000 1.060 151 V CA 1.574 63.869 62.300 -0.009 0.000 1.030 151 V CB -0.753 31.063 31.823 -0.011 0.000 0.643 151 V HN 0.455 nan 8.190 nan 0.000 0.445 152 E N 0.667 120.863 120.200 -0.008 0.000 2.118 152 E HA -0.188 4.185 4.350 0.038 0.000 0.195 152 E C 2.311 178.903 176.600 -0.014 0.000 0.992 152 E CA 2.031 58.423 56.400 -0.013 0.000 0.804 152 E CB -0.724 28.974 29.700 -0.005 0.000 0.741 152 E HN 0.740 nan 8.360 nan 0.000 0.458 153 T N 1.711 116.261 114.554 -0.007 0.000 2.652 153 T HA -0.157 4.216 4.350 0.038 0.000 0.267 153 T C 2.131 176.822 174.700 -0.015 0.000 1.039 153 T CA 1.665 63.761 62.100 -0.008 0.000 1.153 153 T CB -0.411 68.456 68.868 -0.001 0.000 0.863 153 T HN 0.317 nan 8.240 nan 0.000 0.428 154 A N 1.390 124.200 122.820 -0.016 0.000 1.903 154 A HA -0.112 4.231 4.320 0.038 0.000 0.219 154 A C 2.328 179.893 177.584 -0.033 0.000 1.191 154 A CA 1.655 53.678 52.037 -0.024 0.000 0.638 154 A CB -1.014 17.968 19.000 -0.030 0.000 0.823 154 A HN 0.513 nan 8.150 nan 0.000 0.451 155 L N -1.237 119.964 121.223 -0.038 0.000 2.156 155 L HA -0.074 4.288 4.340 0.038 0.000 0.208 155 L C 3.033 179.876 176.870 -0.044 0.000 1.095 155 L CA 0.700 55.513 54.840 -0.046 0.000 0.770 155 L CB -0.557 41.470 42.059 -0.053 0.000 0.914 155 L HN 0.436 nan 8.230 nan 0.000 0.439 156 A N 0.517 123.315 122.820 -0.036 0.000 1.908 156 A HA -0.109 4.233 4.320 0.038 0.000 0.218 156 A C 1.944 179.505 177.584 -0.038 0.000 1.181 156 A CA 1.672 53.689 52.037 -0.035 0.000 0.627 156 A CB -0.979 18.006 19.000 -0.026 0.000 0.818 156 A HN 0.416 nan 8.150 nan 0.000 0.445 157 G N -0.722 108.057 108.800 -0.035 0.000 3.782 157 G HA2 0.488 4.471 3.960 0.038 0.000 0.288 157 G HA3 0.488 4.471 3.960 0.038 0.000 0.288 157 G C 0.046 174.917 174.900 -0.047 0.000 1.300 157 G CA 0.521 45.598 45.100 -0.038 0.000 1.261 157 G HN 0.740 nan 8.290 nan 0.000 0.591 158 A N 0.121 122.906 122.820 -0.058 0.000 2.287 158 A HA 0.738 5.080 4.320 0.038 0.000 0.317 158 A C 1.366 178.883 177.584 -0.111 0.000 1.220 158 A CA 0.173 52.170 52.037 -0.066 0.000 0.835 158 A CB 1.200 20.169 19.000 -0.053 0.000 1.180 158 A HN 0.748 nan 8.150 nan 0.000 0.500 159 A N 2.175 124.914 122.820 -0.135 0.000 1.958 159 A HA -0.091 4.252 4.320 0.038 0.000 0.221 159 A C 0.841 178.072 177.584 -0.589 0.000 1.178 159 A CA 2.005 53.856 52.037 -0.310 0.000 0.642 159 A CB -0.603 18.244 19.000 -0.255 0.000 0.816 159 A HN 0.916 nan 8.150 nan 0.000 0.453 160 H N -3.531 115.501 119.070 -0.062 0.000 2.768 160 H HA 0.754 5.333 4.556 0.038 0.000 0.371 160 H C -1.063 174.208 175.328 -0.095 0.000 1.151 160 H CA -0.589 55.413 56.048 -0.077 0.000 1.165 160 H CB 1.781 31.495 29.762 -0.080 0.000 1.722 160 H HN 0.262 nan 8.280 nan 0.000 0.543 161 L N 1.160 122.396 121.223 0.022 0.000 2.465 161 L HA 0.845 5.208 4.340 0.038 0.000 0.257 161 L C -1.514 175.269 176.870 -0.146 0.000 0.988 161 L CA -0.465 54.335 54.840 -0.066 0.000 0.827 161 L CB 1.985 43.997 42.059 -0.077 0.000 1.397 161 L HN 0.833 nan 8.230 nan 0.000 0.410 162 A N 2.955 125.665 122.820 -0.183 0.000 2.429 162 A HA 0.718 5.061 4.320 0.038 0.000 0.289 162 A C -1.514 175.938 177.584 -0.219 0.000 1.043 162 A CA -0.582 51.251 52.037 -0.340 0.000 0.722 162 A CB 1.169 19.874 19.000 -0.491 0.000 1.243 162 A HN 0.633 nan 8.150 nan 0.000 0.415 163 E N 1.202 121.236 120.200 -0.276 0.000 2.207 163 E HA 0.756 5.129 4.350 0.038 0.000 0.270 163 E C 0.004 176.419 176.600 -0.309 0.000 0.927 163 E CA -1.075 55.174 56.400 -0.251 0.000 0.799 163 E CB 2.497 32.090 29.700 -0.177 0.000 1.172 163 E HN 1.021 nan 8.360 nan 0.000 0.404 164 G N 0.021 108.411 108.800 -0.685 0.000 2.519 164 G HA2 0.417 4.400 3.960 0.038 0.000 0.292 164 G HA3 0.417 4.400 3.960 0.038 0.000 0.292 164 G C -1.745 172.713 174.900 -0.737 0.000 1.507 164 G CA -0.556 44.222 45.100 -0.537 0.000 0.806 164 G HN 0.660 nan 8.290 nan 0.000 0.523 165 C N 1.407 120.706 119.300 -0.001 0.000 2.686 165 C HA 0.996 5.478 4.460 0.038 0.000 0.318 165 C C -1.062 174.226 174.990 0.498 0.000 1.160 165 C CA -1.021 58.121 59.018 0.208 0.000 1.396 165 C CB -0.084 27.731 27.740 0.125 0.000 1.924 165 C HN 1.591 nan 8.230 nan 0.000 0.471 166 F N 2.948 123.049 119.950 0.252 0.000 2.741 166 F HA 0.718 5.268 4.527 0.038 0.000 0.311 166 F C -1.115 174.791 175.800 0.175 0.000 1.149 166 F CA -0.695 57.437 58.000 0.220 0.000 0.930 166 F CB 1.049 40.211 39.000 0.270 0.000 1.312 166 F HN 0.462 nan 8.300 nan 0.000 0.450 167 E N 2.645 122.813 120.200 -0.053 0.000 2.204 167 E HA 0.536 4.909 4.350 0.038 0.000 0.276 167 E C -0.986 175.448 176.600 -0.276 0.000 0.974 167 E CA -0.575 55.735 56.400 -0.150 0.000 0.815 167 E CB 2.782 32.487 29.700 0.010 0.000 1.119 167 E HN 0.626 nan 8.360 nan 0.000 0.393 168 I N 1.619 122.048 120.570 -0.236 0.000 2.439 168 I HA 0.288 4.481 4.170 0.038 0.000 0.285 168 I C 0.553 176.664 176.117 -0.011 0.000 1.021 168 I CA -0.681 60.486 61.300 -0.221 0.000 1.091 168 I CB 1.945 39.803 38.000 -0.236 0.000 1.242 168 I HN 0.423 nan 8.210 nan 0.000 0.439 169 G N 3.730 112.518 108.800 -0.019 0.000 2.504 169 G HA2 0.539 4.522 3.960 0.038 0.000 0.288 169 G HA3 0.539 4.522 3.960 0.038 0.000 0.288 169 G C 0.377 175.451 174.900 0.290 0.000 1.182 169 G CA -0.246 44.927 45.100 0.121 0.000 0.894 169 G HN 0.686 nan 8.290 nan 0.000 0.521 170 G N -1.426 107.551 108.800 0.296 0.000 2.468 170 G HA2 0.485 4.468 3.960 0.038 0.000 0.264 170 G HA3 0.485 4.468 3.960 0.038 0.000 0.264 170 G C -0.168 174.912 174.900 0.300 0.000 1.460 170 G CA -0.057 45.219 45.100 0.293 0.000 1.060 170 G HN 0.786 nan 8.290 nan 0.000 0.543 171 Q N -1.440 118.437 119.800 0.128 0.000 2.518 171 Q HA 0.291 4.654 4.340 0.038 0.000 0.254 171 Q C -1.910 174.138 176.000 0.080 0.000 0.962 171 Q CA -0.678 55.202 55.803 0.129 0.000 0.982 171 Q CB 1.859 30.446 28.738 -0.251 0.000 1.516 171 Q HN 0.502 nan 8.270 nan 0.000 0.426 172 E N 1.858 122.046 120.200 -0.020 0.000 2.200 172 E HA 0.204 4.577 4.350 0.038 0.000 0.283 172 E C -0.195 176.468 176.600 0.105 0.000 1.015 172 E CA 0.300 56.591 56.400 -0.182 0.000 0.819 172 E CB 0.677 29.884 29.700 -0.821 0.000 1.081 172 E HN 0.708 nan 8.360 nan 0.000 0.397 173 H N 4.183 123.276 119.070 0.037 0.000 2.321 173 H HA -0.112 4.468 4.556 0.039 0.000 0.295 173 H C 0.195 175.445 175.328 -0.131 0.000 1.102 173 H CA 1.797 57.683 56.048 -0.269 0.000 1.266 173 H CB -0.323 29.110 29.762 -0.549 0.000 1.363 173 H HN 0.656 nan 8.280 nan 0.000 0.492 174 F N 0.150 119.880 119.950 -0.367 0.000 3.067 174 F HA -0.255 4.296 4.527 0.041 0.000 0.279 174 F C -0.742 174.965 175.800 -0.155 0.000 0.945 174 F CA -0.368 57.468 58.000 -0.272 0.000 0.948 174 F CB -1.993 36.994 39.000 -0.020 0.000 0.898 174 F HN 0.163 nan 8.300 nan 0.000 0.746 175 Y N -0.051 120.295 120.300 0.076 0.000 2.721 175 Y HA 0.154 4.729 4.550 0.041 0.000 0.329 175 Y C 1.222 177.049 175.900 -0.122 0.000 1.211 175 Y CA -1.097 57.074 58.100 0.118 0.000 1.512 175 Y CB -0.005 38.506 38.460 0.084 0.000 1.249 175 Y HN 0.116 nan 8.280 nan 0.000 0.549 176 L N 1.337 122.627 121.223 0.111 0.000 2.013 176 L HA -0.165 4.198 4.340 0.038 0.000 0.212 176 L C 1.335 178.165 176.870 -0.068 0.000 1.073 176 L CA 1.669 56.486 54.840 -0.038 0.000 0.753 176 L CB -0.714 41.344 42.059 -0.000 0.000 0.890 176 L HN 0.889 nan 8.230 nan 0.000 0.432 177 E N 0.122 120.286 120.200 -0.060 0.000 2.313 177 E HA 0.297 4.670 4.350 0.038 0.000 0.276 177 E C 0.056 176.629 176.600 -0.045 0.000 1.031 177 E CA -0.154 56.178 56.400 -0.114 0.000 0.857 177 E CB 1.220 30.817 29.700 -0.171 0.000 1.040 177 E HN 0.205 nan 8.360 nan 0.000 0.408 178 G N 3.146 111.923 108.800 -0.038 0.000 2.562 178 G HA2 0.058 4.041 3.960 0.038 0.000 0.275 178 G HA3 0.058 4.041 3.960 0.038 0.000 0.275 178 G C -0.163 174.645 174.900 -0.153 0.000 1.196 178 G CA -0.557 44.556 45.100 0.022 0.000 0.908 178 G HN 0.554 nan 8.290 nan 0.000 0.524 179 Q N -0.835 118.866 119.800 -0.165 0.000 2.369 179 Q HA 0.394 4.757 4.340 0.038 0.000 0.295 179 Q C 0.212 176.018 176.000 -0.323 0.000 1.075 179 Q CA 0.950 56.566 55.803 -0.313 0.000 0.941 179 Q CB 1.089 29.624 28.738 -0.339 0.000 1.260 179 Q HN 0.899 nan 8.270 nan 0.000 0.417 180 A N -0.090 122.553 122.820 -0.294 0.000 2.581 180 A HA 0.754 5.097 4.320 0.038 0.000 0.294 180 A C -1.769 175.717 177.584 -0.164 0.000 1.035 180 A CA 0.059 51.959 52.037 -0.228 0.000 0.684 180 A CB 1.017 19.921 19.000 -0.160 0.000 1.282 180 A HN 0.913 nan 8.150 nan 0.000 0.417 181 A N -0.270 122.467 122.820 -0.137 0.000 2.544 181 A HA 0.906 5.249 4.320 0.038 0.000 0.291 181 A C -2.057 175.481 177.584 -0.076 0.000 1.055 181 A CA 0.063 52.047 52.037 -0.089 0.000 0.651 181 A CB 0.987 19.931 19.000 -0.094 0.000 1.296 181 A HN 2.518 nan 8.150 nan 0.000 0.431 182 L N -0.195 121.007 121.223 -0.035 0.000 2.505 182 L HA 0.937 5.300 4.340 0.038 0.000 0.259 182 L C -0.701 176.171 176.870 0.003 0.000 0.952 182 L CA 0.364 55.188 54.840 -0.028 0.000 0.840 182 L CB 1.907 43.963 42.059 -0.004 0.000 1.358 182 L HN 2.019 nan 8.230 nan 0.000 0.409 183 A N 4.749 127.559 122.820 -0.016 0.000 2.422 183 A HA 0.867 5.209 4.320 0.038 0.000 0.302 183 A C -1.879 175.702 177.584 -0.006 0.000 1.041 183 A CA -0.442 51.586 52.037 -0.015 0.000 0.708 183 A CB 1.461 20.438 19.000 -0.037 0.000 1.257 183 A HN 0.685 nan 8.150 nan 0.000 0.414 184 L N 3.639 124.865 121.223 0.005 0.000 2.372 184 L HA 0.418 4.781 4.340 0.038 0.000 0.273 184 L C -2.355 174.514 176.870 -0.001 0.000 0.989 184 L CA -1.964 52.881 54.840 0.009 0.000 0.841 184 L CB 2.265 44.346 42.059 0.036 0.000 1.225 184 L HN 0.499 nan 8.230 nan 0.000 0.414 185 P HA 0.023 nan 4.420 nan 0.000 0.262 185 P C -0.659 176.642 177.300 0.000 0.000 1.182 185 P CA 0.020 63.120 63.100 -0.000 0.000 0.761 185 P CB 1.135 32.838 31.700 0.006 0.000 0.795 186 A N 3.567 126.385 122.820 -0.003 0.000 2.745 186 A HA 0.306 4.649 4.320 0.038 0.000 0.301 186 A C 0.225 177.805 177.584 -0.007 0.000 1.188 186 A CA -0.680 51.354 52.037 -0.005 0.000 0.746 186 A CB -0.020 18.975 19.000 -0.010 0.000 1.207 186 A HN 0.656 nan 8.150 nan 0.000 0.432 187 E N 1.257 121.455 120.200 -0.003 0.000 1.484 187 E HA -0.158 4.215 4.350 0.038 0.000 0.248 187 E C 0.950 177.547 176.600 -0.005 0.000 1.281 187 E CA 0.913 57.311 56.400 -0.004 0.000 0.833 187 E CB -1.531 28.165 29.700 -0.006 0.000 0.898 187 E HN 2.247 nan 8.360 nan 0.000 0.297 188 G N 1.504 110.305 108.800 0.002 0.000 2.399 188 G HA2 -0.222 3.761 3.960 0.038 0.000 0.216 188 G HA3 -0.222 3.761 3.960 0.038 0.000 0.216 188 G C 0.516 175.420 174.900 0.007 0.000 1.096 188 G CA 0.013 45.116 45.100 0.004 0.000 0.650 188 G HN 1.306 nan 8.290 nan 0.000 0.512 189 G N -1.089 107.711 108.800 -0.000 0.000 3.211 189 G HA2 0.867 4.849 3.960 0.038 0.000 0.262 189 G HA3 0.867 4.849 3.960 0.038 0.000 0.262 189 G C -0.564 174.331 174.900 -0.009 0.000 1.352 189 G CA 0.448 45.548 45.100 0.000 0.000 1.004 189 G HN 1.403 nan 8.290 nan 0.000 0.559 190 V N -2.211 117.691 119.914 -0.019 0.000 3.074 190 V HA 0.830 4.972 4.120 0.038 0.000 0.314 190 V C -0.693 175.372 176.094 -0.049 0.000 1.117 190 V CA -1.037 61.245 62.300 -0.030 0.000 1.014 190 V CB 1.625 33.425 31.823 -0.038 0.000 1.057 190 V HN 0.533 nan 8.190 nan 0.000 0.438 191 V N 2.921 122.801 119.914 -0.057 0.000 2.531 191 V HA 0.523 4.666 4.120 0.038 0.000 0.301 191 V C -0.800 175.219 176.094 -0.125 0.000 1.034 191 V CA -0.343 61.894 62.300 -0.104 0.000 0.865 191 V CB 1.691 33.458 31.823 -0.093 0.000 0.995 191 V HN 0.666 nan 8.190 nan 0.000 0.424 192 I N 4.372 124.834 120.570 -0.180 0.000 2.377 192 I HA 0.486 4.679 4.170 0.038 0.000 0.293 192 I C -0.045 175.902 176.117 -0.284 0.000 0.987 192 I CA -0.501 60.706 61.300 -0.154 0.000 1.185 192 I CB 1.462 39.388 38.000 -0.123 0.000 1.341 192 I HN 0.544 nan 8.210 nan 0.000 0.455 193 H N 4.954 123.987 119.070 -0.061 0.000 2.459 193 H HA 0.548 5.089 4.556 -0.025 0.000 0.332 193 H C -0.286 175.000 175.328 -0.070 0.000 1.094 193 H CA -0.261 55.751 56.048 -0.061 0.000 1.224 193 H CB 2.289 32.017 29.762 -0.057 0.000 1.449 193 H HN 0.824 nan 8.280 nan 0.000 0.484 194 C N 0.811 120.122 119.300 0.017 0.000 3.335 194 C HA 0.571 5.053 4.460 0.038 0.000 0.356 194 C C 0.484 175.453 174.990 -0.034 0.000 1.570 194 C CA -1.138 57.865 59.018 -0.025 0.000 1.271 194 C CB 1.357 29.061 27.740 -0.060 0.000 1.873 194 C HN 0.686 nan 8.230 nan 0.000 0.439 195 S N 1.197 116.853 115.700 -0.072 0.000 2.457 195 S HA 0.637 5.130 4.470 0.038 0.000 0.216 195 S C -0.375 174.152 174.600 -0.122 0.000 1.392 195 S CA 0.206 58.354 58.200 -0.086 0.000 1.102 195 S CB -0.647 62.487 63.200 -0.109 0.000 1.114 195 S HN 1.553 nan 8.310 nan 0.000 0.484 196 S N 3.105 118.753 115.700 -0.088 0.000 2.595 196 S HA 0.442 4.934 4.470 0.038 0.000 0.281 196 S C 0.315 174.882 174.600 -0.055 0.000 1.117 196 S CA -0.607 57.543 58.200 -0.084 0.000 0.873 196 S CB 1.709 64.875 63.200 -0.057 0.000 1.108 196 S HN 0.624 nan 8.310 nan 0.000 0.477 197 Q N 0.866 120.641 119.800 -0.042 0.000 2.403 197 Q HA 0.155 4.518 4.340 0.038 0.000 0.203 197 Q C -0.083 175.954 176.000 0.062 0.000 0.932 197 Q CA 0.399 56.188 55.803 -0.024 0.000 0.945 197 Q CB 0.034 28.742 28.738 -0.050 0.000 1.045 197 Q HN 0.769 nan 8.270 nan 0.000 0.511 198 H N -0.332 118.703 119.070 -0.057 0.000 2.514 198 H HA 0.147 4.725 4.556 0.037 0.000 0.226 198 H C -2.201 173.090 175.328 -0.061 0.000 1.421 198 H CA -2.224 53.795 56.048 -0.049 0.000 1.394 198 H CB 1.151 30.888 29.762 -0.041 0.000 1.701 198 H HN -0.006 nan 8.280 nan 0.000 0.515 199 P HA -0.127 nan 4.420 nan 0.000 0.216 199 P C 1.609 178.848 177.300 -0.101 0.000 1.150 199 P CA 0.962 64.035 63.100 -0.044 0.000 0.837 199 P CB 0.387 32.069 31.700 -0.032 0.000 0.786 200 S N -0.685 114.990 115.700 -0.042 0.000 2.382 200 S HA -0.199 4.294 4.470 0.038 0.000 0.228 200 S C 1.962 176.387 174.600 -0.291 0.000 1.027 200 S CA 1.270 59.409 58.200 -0.101 0.000 0.991 200 S CB -0.637 62.582 63.200 0.032 0.000 0.823 200 S HN 0.311 nan 8.310 nan 0.000 0.469 201 E N 0.499 120.309 120.200 -0.650 0.000 2.107 201 E HA -0.059 4.314 4.350 0.038 0.000 0.191 201 E C 1.860 178.239 176.600 -0.368 0.000 0.982 201 E CA 0.705 56.718 56.400 -0.645 0.000 0.809 201 E CB -0.020 29.072 29.700 -1.014 0.000 0.756 201 E HN 0.315 nan 8.360 nan 0.000 0.459 202 I N 1.531 121.927 120.570 -0.290 0.000 2.264 202 I HA -0.311 3.882 4.170 0.038 0.000 0.248 202 I C 2.543 178.543 176.117 -0.195 0.000 1.111 202 I CA 1.492 62.681 61.300 -0.184 0.000 1.382 202 I CB -1.160 36.758 38.000 -0.136 0.000 1.060 202 I HN 0.388 nan 8.210 nan 0.000 0.418 203 Q N 0.257 119.918 119.800 -0.232 0.000 2.002 203 Q HA -0.296 4.067 4.340 0.038 0.000 0.204 203 Q C 2.370 178.109 176.000 -0.436 0.000 0.988 203 Q CA 2.308 57.934 55.803 -0.294 0.000 0.843 203 Q CB -0.284 28.273 28.738 -0.302 0.000 0.908 203 Q HN 0.650 nan 8.270 nan 0.000 0.420 204 H N -0.182 118.490 119.070 -0.664 0.000 2.290 204 H HA -0.112 4.466 4.556 0.036 0.000 0.298 204 H C 1.913 176.971 175.328 -0.451 0.000 1.087 204 H CA 1.686 57.206 56.048 -0.879 0.000 1.291 204 H CB 0.235 29.672 29.762 -0.541 0.000 1.369 204 H HN 0.067 nan 8.280 nan 0.000 0.492 205 K N 0.261 120.656 120.400 -0.007 0.000 2.097 205 K HA -0.088 4.255 4.320 0.038 0.000 0.206 205 K C 2.313 178.918 176.600 0.009 0.000 1.049 205 K CA 1.045 57.370 56.287 0.065 0.000 0.933 205 K CB -0.266 32.225 32.500 -0.016 0.000 0.717 205 K HN 0.254 nan 8.250 nan 0.000 0.442 206 V N 1.588 121.456 119.914 -0.077 0.000 2.358 206 V HA -0.206 3.937 4.120 0.038 0.000 0.246 206 V C 2.493 178.547 176.094 -0.067 0.000 1.047 206 V CA 1.781 64.043 62.300 -0.063 0.000 1.035 206 V CB -0.659 31.112 31.823 -0.087 0.000 0.658 206 V HN 0.287 nan 8.190 nan 0.000 0.452 207 A N -0.672 122.051 122.820 -0.161 0.000 1.892 207 A HA -0.320 4.023 4.320 0.038 0.000 0.218 207 A C 1.983 179.525 177.584 -0.071 0.000 1.188 207 A CA 2.460 54.407 52.037 -0.150 0.000 0.631 207 A CB -0.954 17.894 19.000 -0.253 0.000 0.822 207 A HN 0.735 nan 8.150 nan 0.000 0.447 208 H N -1.171 117.908 119.070 0.015 0.000 2.462 208 H HA 0.146 4.726 4.556 0.040 0.000 0.292 208 H C 2.343 177.685 175.328 0.024 0.000 1.049 208 H CA 0.690 56.755 56.048 0.029 0.000 1.334 208 H CB 0.047 29.856 29.762 0.078 0.000 1.404 208 H HN 0.566 nan 8.280 nan 0.000 0.544 209 A N 0.440 123.343 122.820 0.139 0.000 2.014 209 A HA -0.033 4.310 4.320 0.038 0.000 0.218 209 A C 1.869 179.530 177.584 0.128 0.000 1.163 209 A CA 0.895 53.005 52.037 0.122 0.000 0.652 209 A CB -0.092 18.951 19.000 0.073 0.000 0.808 209 A HN 0.344 nan 8.150 nan 0.000 0.449 210 L N -1.540 119.721 121.223 0.063 0.000 2.693 210 L HA 0.245 4.608 4.340 0.038 0.000 0.235 210 L C 1.407 178.227 176.870 -0.083 0.000 1.127 210 L CA 0.464 55.344 54.840 0.065 0.000 0.914 210 L CB -0.049 42.024 42.059 0.024 0.000 1.193 210 L HN 0.536 nan 8.230 nan 0.000 0.502 211 G N 1.523 110.134 108.800 -0.316 0.000 2.198 211 G HA2 -0.270 3.713 3.960 0.038 0.000 0.257 211 G HA3 -0.270 3.713 3.960 0.038 0.000 0.257 211 G C -0.126 174.633 174.900 -0.235 0.000 1.042 211 G CA 0.078 44.809 45.100 -0.616 0.000 0.791 211 G HN 0.253 nan 8.290 nan 0.000 0.502 212 L N -0.096 121.064 121.223 -0.105 0.000 2.346 212 L HA 0.785 5.147 4.340 0.038 0.000 0.274 212 L C 1.051 177.908 176.870 -0.021 0.000 1.007 212 L CA -0.780 54.037 54.840 -0.038 0.000 0.818 212 L CB 1.810 43.867 42.059 -0.003 0.000 1.284 212 L HN 0.323 nan 8.230 nan 0.000 0.424 213 A N 1.551 124.343 122.820 -0.046 0.000 2.507 213 A HA 0.105 4.448 4.320 0.038 0.000 0.235 213 A C 0.871 178.480 177.584 0.042 0.000 1.070 213 A CA 0.038 51.985 52.037 -0.149 0.000 0.768 213 A CB -0.024 18.744 19.000 -0.386 0.000 1.011 213 A HN 0.622 nan 8.150 nan 0.000 0.502 214 F N 1.082 120.863 119.950 -0.282 0.000 2.154 214 F HA -0.227 4.324 4.527 0.039 0.000 0.301 214 F C 2.375 178.137 175.800 -0.063 0.000 1.087 214 F CA 2.125 60.009 58.000 -0.193 0.000 1.274 214 F CB -1.529 37.355 39.000 -0.194 0.000 1.009 214 F HN 0.905 nan 8.300 nan 0.000 0.485 215 H N -1.874 117.255 119.070 0.100 0.000 2.543 215 H HA -0.061 4.518 4.556 0.038 0.000 0.286 215 H C 0.271 175.605 175.328 0.010 0.000 1.037 215 H CA 0.904 56.975 56.048 0.037 0.000 1.250 215 H CB -0.395 29.372 29.762 0.008 0.000 1.373 215 H HN 0.141 nan 8.280 nan 0.000 0.580 216 D N 1.716 122.301 120.400 0.307 0.000 2.434 216 D HA 0.186 4.849 4.640 0.038 0.000 0.232 216 D C -0.536 175.790 176.300 0.043 0.000 1.166 216 D CA 0.092 54.169 54.000 0.129 0.000 0.830 216 D CB 0.817 41.689 40.800 0.119 0.000 0.960 216 D HN 0.165 nan 8.370 nan 0.000 0.497 217 V N 0.626 120.553 119.914 0.022 0.000 2.668 217 V HA 0.363 4.505 4.120 0.038 0.000 0.304 217 V C -0.267 175.791 176.094 -0.060 0.000 1.071 217 V CA -0.963 61.313 62.300 -0.040 0.000 0.894 217 V CB 3.192 34.967 31.823 -0.080 0.000 1.008 217 V HN -0.075 nan 8.190 nan 0.000 0.425 218 R N 3.356 123.807 120.500 -0.082 0.000 2.502 218 R HA 0.756 5.119 4.340 0.038 0.000 0.300 218 R C -1.946 174.270 176.300 -0.140 0.000 0.984 218 R CA -0.376 55.668 56.100 -0.094 0.000 0.882 218 R CB 2.095 32.344 30.300 -0.085 0.000 1.180 218 R HN 0.537 nan 8.270 nan 0.000 0.444 219 V N 4.209 124.040 119.914 -0.138 0.000 2.394 219 V HA 0.340 4.483 4.120 0.038 0.000 0.282 219 V C -0.152 175.843 176.094 -0.165 0.000 1.031 219 V CA -0.501 61.701 62.300 -0.163 0.000 0.881 219 V CB 1.526 33.270 31.823 -0.130 0.000 0.982 219 V HN 0.777 nan 8.190 nan 0.000 0.451 220 E N 4.430 124.488 120.200 -0.236 0.000 2.183 220 E HA 0.698 5.070 4.350 0.038 0.000 0.271 220 E C -0.761 175.786 176.600 -0.089 0.000 0.919 220 E CA -0.811 55.489 56.400 -0.166 0.000 0.781 220 E CB 2.305 31.873 29.700 -0.220 0.000 1.140 220 E HN 0.650 nan 8.360 nan 0.000 0.402 221 M N 2.618 122.198 119.600 -0.033 0.000 2.182 221 M HA 0.341 4.844 4.480 0.038 0.000 0.266 221 M C -0.610 175.696 176.300 0.010 0.000 0.989 221 M CA -0.400 54.899 55.300 -0.002 0.000 1.003 221 M CB 1.620 34.207 32.600 -0.022 0.000 1.812 221 M HN 0.314 nan 8.290 nan 0.000 0.472 222 R N 3.236 123.746 120.500 0.018 0.000 2.175 222 R HA 0.463 4.826 4.340 0.038 0.000 0.202 222 R C -0.395 175.925 176.300 0.033 0.000 1.018 222 R CA 1.460 57.570 56.100 0.016 0.000 1.029 222 R CB 0.526 30.817 30.300 -0.014 0.000 0.959 222 R HN 0.800 nan 8.270 nan 0.000 0.480 223 R N -1.426 119.068 120.500 -0.011 0.000 2.739 223 R HA 0.328 4.691 4.340 0.038 0.000 0.266 223 R C -1.549 174.750 176.300 -0.002 0.000 1.044 223 R CA -0.716 55.374 56.100 -0.016 0.000 0.885 223 R CB 0.578 30.827 30.300 -0.085 0.000 1.260 223 R HN 0.030 nan 8.270 nan 0.000 0.477 224 M N 1.027 120.648 119.600 0.036 0.000 2.598 224 M HA 0.444 4.947 4.480 0.038 0.000 0.317 224 M C 0.393 176.787 176.300 0.156 0.000 1.179 224 M CA -0.770 54.561 55.300 0.053 0.000 0.936 224 M CB 2.517 35.083 32.600 -0.057 0.000 1.713 224 M HN 0.951 nan 8.290 nan 0.000 0.460 225 G N 1.408 110.307 108.800 0.165 0.000 3.458 225 G HA2 0.509 4.492 3.960 0.038 0.000 0.256 225 G HA3 0.509 4.492 3.960 0.038 0.000 0.256 225 G C 0.195 175.097 174.900 0.004 0.000 0.938 225 G CA 0.232 45.372 45.100 0.067 0.000 1.890 225 G HN 1.070 nan 8.290 nan 0.000 0.639 226 G N -1.244 107.520 108.800 -0.060 0.000 2.697 226 G HA2 0.407 4.390 3.960 0.038 0.000 0.686 226 G HA3 0.407 4.390 3.960 0.038 0.000 0.686 226 G C 0.465 175.224 174.900 -0.235 0.000 1.179 226 G CA -0.248 44.750 45.100 -0.170 0.000 0.765 226 G HN 1.331 nan 8.290 nan 0.000 0.649 227 G N -0.591 107.865 108.800 -0.573 0.000 3.083 227 G HA2 0.504 4.487 3.960 0.038 0.000 0.210 227 G HA3 0.504 4.487 3.960 0.038 0.000 0.210 227 G C 0.790 175.603 174.900 -0.146 0.000 1.571 227 G CA 0.813 45.741 45.100 -0.287 0.000 0.727 227 G HN 1.758 nan 8.290 nan 0.000 0.988 228 F N 1.336 121.256 119.950 -0.051 0.000 3.082 228 F HA -0.173 4.378 4.527 0.040 0.000 0.272 228 F C 2.028 177.749 175.800 -0.132 0.000 0.936 228 F CA 1.051 58.994 58.000 -0.096 0.000 0.920 228 F CB -1.429 37.477 39.000 -0.158 0.000 0.901 228 F HN 1.134 nan 8.300 nan 0.000 0.695 229 G N -1.075 107.718 108.800 -0.011 0.000 2.320 229 G HA2 -0.293 3.689 3.960 0.038 0.000 0.242 229 G HA3 -0.293 3.689 3.960 0.038 0.000 0.242 229 G C 1.246 176.069 174.900 -0.127 0.000 1.033 229 G CA 0.193 45.313 45.100 0.033 0.000 0.620 229 G HN 1.226 nan 8.290 nan 0.000 0.517 230 G N 0.059 108.535 108.800 -0.539 0.000 2.535 230 G HA2 0.108 4.091 3.960 0.038 0.000 0.218 230 G HA3 0.108 4.091 3.960 0.038 0.000 0.218 230 G C 1.140 175.863 174.900 -0.295 0.000 1.122 230 G CA 1.487 46.060 45.100 -0.877 0.000 0.769 230 G HN 0.556 nan 8.290 nan 0.000 0.549 231 K N -0.384 119.887 120.400 -0.215 0.000 2.646 231 K HA 0.198 4.540 4.320 0.038 0.000 0.206 231 K C 1.209 177.770 176.600 -0.066 0.000 1.069 231 K CA -0.133 56.052 56.287 -0.170 0.000 1.067 231 K CB 0.743 33.098 32.500 -0.242 0.000 0.807 231 K HN 0.294 nan 8.250 nan 0.000 0.482 232 E N 0.459 120.650 120.200 -0.014 0.000 2.299 232 E HA -0.095 4.278 4.350 0.038 0.000 0.193 232 E C 1.266 177.932 176.600 0.111 0.000 0.998 232 E CA 1.333 57.770 56.400 0.061 0.000 0.851 232 E CB 0.441 30.203 29.700 0.102 0.000 0.795 232 E HN 0.250 nan 8.360 nan 0.000 0.492 233 S N -1.353 114.390 115.700 0.072 0.000 2.874 233 S HA -0.018 4.475 4.470 0.038 0.000 0.271 233 S C 1.127 175.776 174.600 0.082 0.000 1.061 233 S CA -0.577 57.673 58.200 0.083 0.000 1.029 233 S CB -0.208 63.048 63.200 0.094 0.000 0.925 233 S HN 0.123 nan 8.310 nan 0.000 0.459 234 Q N 1.917 121.750 119.800 0.055 0.000 2.476 234 Q HA 0.188 4.551 4.340 0.038 0.000 0.215 234 Q C 1.430 177.457 176.000 0.047 0.000 0.966 234 Q CA 0.844 56.679 55.803 0.054 0.000 0.976 234 Q CB -0.776 27.964 28.738 0.003 0.000 0.988 234 Q HN 0.730 nan 8.270 nan 0.000 0.526 235 G N 1.069 109.884 108.800 0.025 0.000 2.623 235 G HA2 -0.143 3.840 3.960 0.038 0.000 0.214 235 G HA3 -0.143 3.840 3.960 0.038 0.000 0.214 235 G C 1.186 176.123 174.900 0.063 0.000 1.138 235 G CA -0.011 45.082 45.100 -0.012 0.000 0.794 235 G HN 0.422 nan 8.290 nan 0.000 0.535 236 N N 0.452 119.239 118.700 0.145 0.000 2.043 236 N HA -0.164 4.599 4.740 0.038 0.000 0.193 236 N C 1.876 177.518 175.510 0.220 0.000 1.037 236 N CA 1.349 54.483 53.050 0.140 0.000 0.851 236 N CB -0.271 38.270 38.487 0.090 0.000 1.027 236 N HN 0.309 nan 8.380 nan 0.000 0.422 237 H N 0.895 120.043 119.070 0.130 0.000 2.319 237 H HA -0.089 4.489 4.556 0.036 0.000 0.297 237 H C 2.124 177.597 175.328 0.241 0.000 1.097 237 H CA 0.922 57.115 56.048 0.243 0.000 1.285 237 H CB -0.744 29.240 29.762 0.370 0.000 1.368 237 H HN 0.143 nan 8.280 nan 0.000 0.495 238 L N 0.205 121.581 121.223 0.255 0.000 2.017 238 L HA -0.158 4.205 4.340 0.038 0.000 0.208 238 L C 2.739 179.618 176.870 0.015 0.000 1.073 238 L CA 1.595 56.458 54.840 0.038 0.000 0.745 238 L CB -0.781 41.172 42.059 -0.177 0.000 0.894 238 L HN 0.352 nan 8.230 nan 0.000 0.432 239 A N -0.262 122.564 122.820 0.010 0.000 1.902 239 A HA -0.187 4.156 4.320 0.038 0.000 0.217 239 A C 2.310 179.892 177.584 -0.003 0.000 1.181 239 A CA 1.787 53.811 52.037 -0.020 0.000 0.623 239 A CB -0.810 18.168 19.000 -0.038 0.000 0.818 239 A HN 0.366 nan 8.150 nan 0.000 0.443 240 I N -0.308 120.284 120.570 0.036 0.000 2.179 240 I HA -0.289 3.904 4.170 0.038 0.000 0.242 240 I C 2.973 179.103 176.117 0.023 0.000 1.088 240 I CA 1.138 62.456 61.300 0.030 0.000 1.357 240 I CB -0.271 37.756 38.000 0.045 0.000 1.051 240 I HN 0.356 nan 8.210 nan 0.000 0.409 241 A N -0.442 122.420 122.820 0.071 0.000 1.902 241 A HA -0.244 4.099 4.320 0.038 0.000 0.217 241 A C 2.445 179.986 177.584 -0.073 0.000 1.181 241 A CA 1.829 53.878 52.037 0.020 0.000 0.623 241 A CB -1.282 17.753 19.000 0.059 0.000 0.818 241 A HN 0.545 nan 8.150 nan 0.000 0.443 242 C N -1.200 118.063 119.300 -0.062 0.000 2.432 242 C HA 0.046 4.529 4.460 0.038 0.000 0.277 242 C C 3.348 178.293 174.990 -0.074 0.000 1.249 242 C CA 0.923 59.893 59.018 -0.079 0.000 1.725 242 C CB -1.233 26.462 27.740 -0.075 0.000 2.028 242 C HN 0.701 nan 8.230 nan 0.000 0.477 243 A N -0.370 122.416 122.820 -0.058 0.000 1.930 243 A HA -0.083 4.259 4.320 0.038 0.000 0.217 243 A C 2.266 179.812 177.584 -0.063 0.000 1.175 243 A CA 1.910 53.917 52.037 -0.050 0.000 0.627 243 A CB -0.654 18.323 19.000 -0.038 0.000 0.815 243 A HN 0.370 nan 8.150 nan 0.000 0.443 244 V N -0.308 119.550 119.914 -0.094 0.000 2.427 244 V HA -0.197 3.946 4.120 0.038 0.000 0.248 244 V C 3.014 178.958 176.094 -0.250 0.000 1.051 244 V CA 1.802 64.016 62.300 -0.142 0.000 1.048 244 V CB -0.920 30.805 31.823 -0.163 0.000 0.666 244 V HN 0.604 nan 8.190 nan 0.000 0.456 245 A N -0.247 122.383 122.820 -0.316 0.000 1.969 245 A HA -0.049 4.294 4.320 0.038 0.000 0.218 245 A C 2.389 179.941 177.584 -0.054 0.000 1.169 245 A CA 1.852 53.720 52.037 -0.281 0.000 0.635 245 A CB -0.602 18.306 19.000 -0.152 0.000 0.810 245 A HN 0.546 nan 8.150 nan 0.000 0.445 246 A N 0.004 122.792 122.820 -0.054 0.000 1.855 246 A HA -0.159 4.184 4.320 0.038 0.000 0.215 246 A C 2.208 179.800 177.584 0.013 0.000 1.191 246 A CA 1.753 53.784 52.037 -0.010 0.000 0.613 246 A CB -0.545 18.442 19.000 -0.020 0.000 0.829 246 A HN 0.530 nan 8.150 nan 0.000 0.442 247 R N -0.432 120.071 120.500 0.005 0.000 2.139 247 R HA -0.156 4.207 4.340 0.038 0.000 0.243 247 R C 2.033 178.368 176.300 0.060 0.000 1.145 247 R CA 1.642 57.760 56.100 0.031 0.000 0.976 247 R CB -0.312 30.009 30.300 0.036 0.000 0.866 247 R HN 0.481 nan 8.270 nan 0.000 0.449 248 A N -0.606 122.265 122.820 0.085 0.000 1.887 248 A HA -0.043 4.300 4.320 0.038 0.000 0.212 248 A C 2.001 179.667 177.584 0.137 0.000 1.198 248 A CA 1.253 53.380 52.037 0.150 0.000 0.628 248 A CB -0.433 18.752 19.000 0.309 0.000 0.847 248 A HN 0.526 nan 8.150 nan 0.000 0.449 249 T N -3.854 110.783 114.554 0.139 0.000 3.148 249 T HA 0.377 4.750 4.350 0.038 0.000 0.253 249 T C 1.463 176.205 174.700 0.071 0.000 1.134 249 T CA 1.103 63.270 62.100 0.112 0.000 1.051 249 T CB 0.034 68.973 68.868 0.118 0.000 0.959 249 T HN 1.625 nan 8.240 nan 0.000 0.525 250 G N 2.229 111.064 108.800 0.059 0.000 2.212 250 G HA2 -0.309 3.674 3.960 0.038 0.000 0.266 250 G HA3 -0.309 3.674 3.960 0.038 0.000 0.266 250 G C 0.147 175.066 174.900 0.032 0.000 0.978 250 G CA 0.335 45.460 45.100 0.041 0.000 0.632 250 G HN 0.906 nan 8.290 nan 0.000 0.537 251 R N -0.587 119.932 120.500 0.033 0.000 2.867 251 R HA 0.665 5.027 4.340 0.038 0.000 0.268 251 R C -3.184 173.119 176.300 0.005 0.000 1.014 251 R CA -2.455 53.658 56.100 0.020 0.000 0.946 251 R CB 0.803 31.117 30.300 0.025 0.000 1.208 251 R HN 0.016 nan 8.270 nan 0.000 0.477 252 P HA -0.038 nan 4.420 nan 0.000 0.264 252 P C -0.706 176.564 177.300 -0.051 0.000 1.183 252 P CA -0.243 62.842 63.100 -0.026 0.000 0.763 252 P CB 0.346 32.026 31.700 -0.034 0.000 0.807 253 C N 4.076 123.337 119.300 -0.066 0.000 2.397 253 C HA 0.448 4.931 4.460 0.038 0.000 0.325 253 C C 0.269 175.179 174.990 -0.133 0.000 1.201 253 C CA -0.532 58.426 59.018 -0.100 0.000 1.377 253 C CB 1.063 28.767 27.740 -0.061 0.000 2.038 253 C HN 0.530 nan 8.230 nan 0.000 0.457 254 K N 3.289 123.557 120.400 -0.220 0.000 2.123 254 K HA 0.783 5.126 4.320 0.038 0.000 0.259 254 K C -0.991 175.514 176.600 -0.158 0.000 0.960 254 K CA -0.402 55.765 56.287 -0.201 0.000 0.872 254 K CB 1.377 33.701 32.500 -0.293 0.000 1.079 254 K HN 0.857 nan 8.250 nan 0.000 0.440 255 M N 4.234 123.756 119.600 -0.129 0.000 2.378 255 M HA 0.369 4.872 4.480 0.038 0.000 0.289 255 M C -1.771 174.442 176.300 -0.146 0.000 1.136 255 M CA -0.673 54.561 55.300 -0.110 0.000 0.917 255 M CB 1.834 34.340 32.600 -0.156 0.000 1.669 255 M HN 0.771 nan 8.290 nan 0.000 0.461 256 R N 3.636 124.084 120.500 -0.086 0.000 2.621 256 R HA 0.459 4.822 4.340 0.038 0.000 0.284 256 R C -2.259 174.103 176.300 0.103 0.000 0.998 256 R CA -0.692 55.342 56.100 -0.111 0.000 0.895 256 R CB 1.288 31.500 30.300 -0.147 0.000 1.195 256 R HN 0.749 nan 8.270 nan 0.000 0.450 257 Y N 1.487 121.830 120.300 0.072 0.000 2.335 257 Y HA 0.055 4.631 4.550 0.043 0.000 0.331 257 Y C 0.633 176.615 175.900 0.138 0.000 1.094 257 Y CA -0.675 57.496 58.100 0.119 0.000 1.253 257 Y CB 1.264 39.789 38.460 0.109 0.000 1.203 257 Y HN 0.714 nan 8.280 nan 0.000 0.508 258 D N 1.953 122.556 120.400 0.337 0.000 2.423 258 D HA -0.004 4.659 4.640 0.038 0.000 0.238 258 D C 1.281 177.683 176.300 0.170 0.000 1.142 258 D CA -0.058 54.080 54.000 0.231 0.000 0.884 258 D CB 0.982 41.874 40.800 0.154 0.000 1.199 258 D HN 0.472 nan 8.370 nan 0.000 0.438 259 R N 1.731 122.302 120.500 0.117 0.000 2.112 259 R HA -0.213 4.149 4.340 0.038 0.000 0.242 259 R C 1.174 177.525 176.300 0.085 0.000 1.137 259 R CA 2.360 58.511 56.100 0.085 0.000 0.944 259 R CB -0.369 29.965 30.300 0.057 0.000 0.857 259 R HN 0.609 nan 8.270 nan 0.000 0.435 260 D N -0.021 120.423 120.400 0.074 0.000 2.116 260 D HA -0.162 4.501 4.640 0.038 0.000 0.193 260 D C 1.489 177.853 176.300 0.108 0.000 0.998 260 D CA 1.756 55.813 54.000 0.094 0.000 0.836 260 D CB -0.392 40.465 40.800 0.095 0.000 0.951 260 D HN 0.302 nan 8.370 nan 0.000 0.449 261 D N 0.179 120.617 120.400 0.064 0.000 2.149 261 D HA -0.157 4.506 4.640 0.038 0.000 0.198 261 D C 1.654 177.878 176.300 -0.127 0.000 0.990 261 D CA 0.838 54.819 54.000 -0.032 0.000 0.839 261 D CB -0.339 40.412 40.800 -0.082 0.000 0.948 261 D HN 0.246 nan 8.370 nan 0.000 0.460 262 D N 0.091 120.473 120.400 -0.029 0.000 2.097 262 D HA -0.109 4.554 4.640 0.038 0.000 0.195 262 D C 1.977 178.312 176.300 0.058 0.000 0.989 262 D CA 0.736 54.768 54.000 0.053 0.000 0.827 262 D CB 0.009 40.967 40.800 0.263 0.000 0.966 262 D HN 0.167 nan 8.370 nan 0.000 0.456 263 M N 0.028 119.667 119.600 0.064 0.000 2.460 263 M HA -0.089 4.414 4.480 0.038 0.000 0.263 263 M C 2.127 178.467 176.300 0.066 0.000 1.071 263 M CA 0.433 55.765 55.300 0.052 0.000 1.096 263 M CB 0.316 32.949 32.600 0.054 0.000 1.408 263 M HN -0.041 nan 8.290 nan 0.000 0.463 264 V N -0.057 119.903 119.914 0.076 0.000 2.685 264 V HA -0.084 4.059 4.120 0.038 0.000 0.244 264 V C 1.963 178.159 176.094 0.171 0.000 1.054 264 V CA 1.023 63.390 62.300 0.112 0.000 1.076 264 V CB 0.107 31.978 31.823 0.081 0.000 0.725 264 V HN 0.342 nan 8.190 nan 0.000 0.467 265 I N 0.076 120.696 120.570 0.084 0.000 2.339 265 I HA -0.030 4.162 4.170 0.038 0.000 0.245 265 I C 1.639 177.823 176.117 0.112 0.000 1.096 265 I CA 0.961 62.346 61.300 0.142 0.000 1.408 265 I CB -0.399 37.563 38.000 -0.064 0.000 1.092 265 I HN 0.408 nan 8.210 nan 0.000 0.423 266 T N -0.320 114.280 114.554 0.077 0.000 2.726 266 T HA 0.413 4.785 4.350 0.038 0.000 0.294 266 T C 0.516 175.264 174.700 0.081 0.000 1.013 266 T CA -0.313 61.843 62.100 0.094 0.000 0.996 266 T CB 1.067 70.044 68.868 0.182 0.000 1.016 266 T HN 0.223 nan 8.240 nan 0.000 0.529 267 G N 0.198 109.047 108.800 0.081 0.000 2.543 267 G HA2 0.617 4.600 3.960 0.038 0.000 0.290 267 G HA3 0.617 4.600 3.960 0.038 0.000 0.290 267 G C -0.799 174.199 174.900 0.163 0.000 1.310 267 G CA -0.943 44.203 45.100 0.075 0.000 1.025 267 G HN 0.809 nan 8.290 nan 0.000 0.502 268 K N -1.493 118.976 120.400 0.115 0.000 2.137 268 K HA 0.488 4.831 4.320 0.038 0.000 0.251 268 K C -0.082 176.568 176.600 0.083 0.000 1.048 268 K CA -0.905 55.459 56.287 0.128 0.000 0.873 268 K CB 0.964 33.514 32.500 0.083 0.000 1.442 268 K HN 0.428 nan 8.250 nan 0.000 0.467 269 R N 0.975 121.527 120.500 0.088 0.000 2.590 269 R HA 0.087 4.450 4.340 0.038 0.000 0.274 269 R C -0.701 175.633 176.300 0.058 0.000 1.061 269 R CA -0.107 56.025 56.100 0.053 0.000 1.081 269 R CB 0.107 30.286 30.300 -0.202 0.000 0.984 269 R HN 0.519 nan 8.270 nan 0.000 0.448 270 H N 2.710 121.846 119.070 0.111 0.000 3.184 270 H HA -0.057 4.521 4.556 0.037 0.000 0.274 270 H C -0.202 175.299 175.328 0.288 0.000 0.962 270 H CA 0.742 56.888 56.048 0.164 0.000 1.441 270 H CB 0.110 29.993 29.762 0.202 0.000 1.518 270 H HN 0.507 nan 8.280 nan 0.000 0.539 271 D N 3.271 123.833 120.400 0.270 0.000 2.372 271 D HA 0.089 4.751 4.640 0.038 0.000 0.243 271 D C -0.277 176.195 176.300 0.287 0.000 1.121 271 D CA -0.028 54.149 54.000 0.294 0.000 0.898 271 D CB 0.928 41.858 40.800 0.216 0.000 1.202 271 D HN 0.301 nan 8.370 nan 0.000 0.428 272 F N -0.366 119.597 119.950 0.021 0.000 2.576 272 F HA 0.359 4.908 4.527 0.037 0.000 0.313 272 F C 0.560 176.313 175.800 -0.078 0.000 1.078 272 F CA -1.269 56.713 58.000 -0.029 0.000 0.921 272 F CB 2.601 41.545 39.000 -0.093 0.000 1.232 272 F HN 0.144 nan 8.300 nan 0.000 0.459 273 R N 3.720 124.281 120.500 0.103 0.000 2.338 273 R HA 0.684 5.047 4.340 0.038 0.000 0.317 273 R C -1.589 174.799 176.300 0.147 0.000 0.968 273 R CA -0.395 55.738 56.100 0.055 0.000 0.849 273 R CB 0.978 31.303 30.300 0.042 0.000 1.128 273 R HN 0.698 nan 8.270 nan 0.000 0.448 274 I N 3.986 124.613 120.570 0.095 0.000 2.433 274 I HA 0.400 4.593 4.170 0.038 0.000 0.292 274 I C -0.328 176.057 176.117 0.446 0.000 1.001 274 I CA -0.829 60.675 61.300 0.341 0.000 1.119 274 I CB 1.970 40.191 38.000 0.369 0.000 1.289 274 I HN 0.503 nan 8.210 nan 0.000 0.438 275 R N 6.664 127.418 120.500 0.424 0.000 2.480 275 R HA 0.549 4.912 4.340 0.038 0.000 0.306 275 R C -1.867 174.614 176.300 0.301 0.000 0.958 275 R CA -0.469 55.782 56.100 0.252 0.000 0.861 275 R CB 1.319 31.706 30.300 0.145 0.000 1.171 275 R HN 0.580 nan 8.270 nan 0.000 0.445 276 Y N 0.227 120.657 120.300 0.216 0.000 2.553 276 Y HA 0.621 5.194 4.550 0.038 0.000 0.347 276 Y C -1.248 174.602 175.900 -0.083 0.000 1.019 276 Y CA -1.380 56.732 58.100 0.020 0.000 1.032 276 Y CB 1.550 40.042 38.460 0.054 0.000 1.284 276 Y HN 0.402 nan 8.280 nan 0.000 0.466 277 R N 3.299 123.768 120.500 -0.051 0.000 2.476 277 R HA 0.665 5.027 4.340 0.038 0.000 0.305 277 R C -1.567 174.675 176.300 -0.097 0.000 0.965 277 R CA -0.692 55.372 56.100 -0.061 0.000 0.867 277 R CB 2.414 32.655 30.300 -0.099 0.000 1.176 277 R HN 0.938 nan 8.270 nan 0.000 0.447 278 I N 0.809 121.351 120.570 -0.047 0.000 2.740 278 I HA 0.795 4.988 4.170 0.038 0.000 0.303 278 I C -0.725 175.332 176.117 -0.101 0.000 1.044 278 I CA -0.571 60.655 61.300 -0.124 0.000 1.064 278 I CB 2.245 40.157 38.000 -0.148 0.000 1.249 278 I HN 0.701 nan 8.210 nan 0.000 0.433 279 G N 4.265 113.008 108.800 -0.095 0.000 2.696 279 G HA2 0.809 4.791 3.960 0.038 0.000 0.295 279 G HA3 0.809 4.791 3.960 0.038 0.000 0.295 279 G C -1.941 172.929 174.900 -0.051 0.000 1.398 279 G CA -0.297 44.764 45.100 -0.066 0.000 0.920 279 G HN 0.919 nan 8.290 nan 0.000 0.492 280 A N 0.721 123.534 122.820 -0.013 0.000 2.530 280 A HA 0.804 5.147 4.320 0.038 0.000 0.288 280 A C -0.264 177.345 177.584 0.042 0.000 1.172 280 A CA -0.479 51.559 52.037 0.000 0.000 0.733 280 A CB 1.198 20.188 19.000 -0.017 0.000 1.320 280 A HN 0.774 nan 8.150 nan 0.000 0.419 281 D N -0.513 119.906 120.400 0.032 0.000 2.208 281 D HA 0.275 4.938 4.640 0.038 0.000 0.234 281 D C 1.357 177.718 176.300 0.101 0.000 1.377 281 D CA 1.373 55.397 54.000 0.040 0.000 0.913 281 D CB 0.399 41.214 40.800 0.026 0.000 1.260 281 D HN 0.626 nan 8.370 nan 0.000 0.517 282 A N -0.490 122.374 122.820 0.074 0.000 2.095 282 A HA 0.030 4.373 4.320 0.038 0.000 0.212 282 A C 1.832 179.462 177.584 0.077 0.000 1.162 282 A CA 1.034 53.139 52.037 0.114 0.000 0.753 282 A CB -0.277 18.755 19.000 0.054 0.000 0.840 282 A HN 0.439 nan 8.150 nan 0.000 0.468 283 S N -2.348 113.374 115.700 0.036 0.000 2.548 283 S HA 0.408 4.901 4.470 0.038 0.000 0.215 283 S C 1.367 175.959 174.600 -0.013 0.000 0.976 283 S CA 1.026 59.232 58.200 0.009 0.000 0.908 283 S CB 0.186 63.390 63.200 0.006 0.000 0.781 283 S HN 1.699 nan 8.310 nan 0.000 0.519 284 G N 0.934 109.728 108.800 -0.009 0.000 2.211 284 G HA2 -0.175 3.807 3.960 0.038 0.000 0.201 284 G HA3 -0.175 3.807 3.960 0.038 0.000 0.201 284 G C -0.096 174.777 174.900 -0.046 0.000 0.997 284 G CA -0.446 44.624 45.100 -0.049 0.000 0.652 284 G HN 0.361 nan 8.290 nan 0.000 0.500 285 K N 1.525 121.915 120.400 -0.017 0.000 2.412 285 K HA 0.303 4.646 4.320 0.038 0.000 0.284 285 K C 1.304 177.893 176.600 -0.018 0.000 1.046 285 K CA -0.238 56.045 56.287 -0.006 0.000 0.999 285 K CB 0.584 33.101 32.500 0.029 0.000 0.941 285 K HN 0.437 nan 8.250 nan 0.000 0.474 286 L N 4.053 125.250 121.223 -0.043 0.000 2.628 286 L HA -0.184 4.179 4.340 0.038 0.000 0.292 286 L C 1.668 178.506 176.870 -0.052 0.000 1.250 286 L CA 0.208 55.009 54.840 -0.065 0.000 0.892 286 L CB -0.041 41.963 42.059 -0.092 0.000 1.138 286 L HN 0.548 nan 8.230 nan 0.000 0.502 287 L N 2.171 123.360 121.223 -0.057 0.000 2.388 287 L HA 0.360 4.722 4.340 0.038 0.000 0.209 287 L C 0.895 177.720 176.870 -0.075 0.000 1.061 287 L CA 0.491 55.300 54.840 -0.051 0.000 0.834 287 L CB 0.208 42.245 42.059 -0.037 0.000 1.029 287 L HN 0.800 nan 8.230 nan 0.000 0.473 288 G N -0.835 107.913 108.800 -0.086 0.000 2.489 288 G HA2 0.651 4.634 3.960 0.038 0.000 0.291 288 G HA3 0.651 4.634 3.960 0.038 0.000 0.291 288 G C -2.179 172.655 174.900 -0.110 0.000 1.487 288 G CA 0.098 45.143 45.100 -0.092 0.000 0.795 288 G HN 0.041 nan 8.290 nan 0.000 0.513 289 A N 0.226 122.973 122.820 -0.123 0.000 2.459 289 A HA 0.750 5.093 4.320 0.038 0.000 0.296 289 A C -1.803 175.614 177.584 -0.278 0.000 1.039 289 A CA -0.446 51.444 52.037 -0.245 0.000 0.698 289 A CB 2.263 21.134 19.000 -0.215 0.000 1.261 289 A HN 0.850 nan 8.150 nan 0.000 0.405 290 D N 1.158 121.334 120.400 -0.373 0.000 2.502 290 D HA 0.700 5.363 4.640 0.038 0.000 0.249 290 D C -1.479 174.654 176.300 -0.278 0.000 1.092 290 D CA -0.042 53.835 54.000 -0.205 0.000 0.839 290 D CB 0.696 41.442 40.800 -0.090 0.000 1.264 290 D HN 0.253 nan 8.370 nan 0.000 0.511 291 F N 2.278 122.249 119.950 0.034 0.000 2.540 291 F HA 0.550 5.100 4.527 0.038 0.000 0.317 291 F C -0.364 175.419 175.800 -0.029 0.000 1.104 291 F CA -1.008 57.013 58.000 0.035 0.000 0.913 291 F CB 2.281 41.248 39.000 -0.056 0.000 1.170 291 F HN 0.029 nan 8.300 nan 0.000 0.450 292 V N 2.602 122.680 119.914 0.273 0.000 2.540 292 V HA 0.353 4.496 4.120 0.038 0.000 0.302 292 V C -0.915 175.359 176.094 0.301 0.000 1.035 292 V CA -0.717 61.701 62.300 0.197 0.000 0.873 292 V CB 1.908 33.849 31.823 0.197 0.000 0.992 292 V HN 0.722 nan 8.190 nan 0.000 0.428 293 H N 5.219 124.442 119.070 0.255 0.000 2.551 293 H HA 0.571 5.150 4.556 0.038 0.000 0.321 293 H C -0.851 174.561 175.328 0.139 0.000 1.028 293 H CA -0.734 55.466 56.048 0.254 0.000 1.215 293 H CB 1.443 31.383 29.762 0.297 0.000 1.414 293 H HN 0.418 nan 8.280 nan 0.000 0.480 294 L N 3.143 124.466 121.223 0.167 0.000 2.287 294 L HA 0.619 4.982 4.340 0.038 0.000 0.287 294 L C -0.127 176.577 176.870 -0.278 0.000 1.022 294 L CA -0.768 54.063 54.840 -0.016 0.000 0.814 294 L CB 1.398 43.436 42.059 -0.036 0.000 1.217 294 L HN 0.572 nan 8.230 nan 0.000 0.420 295 A N 3.831 126.402 122.820 -0.416 0.000 2.343 295 A HA 0.555 4.898 4.320 0.038 0.000 0.316 295 A C -0.493 176.941 177.584 -0.249 0.000 1.104 295 A CA -0.703 50.904 52.037 -0.717 0.000 0.768 295 A CB 1.333 19.650 19.000 -1.139 0.000 1.213 295 A HN 0.695 nan 8.150 nan 0.000 0.456 296 R N 2.499 122.909 120.500 -0.151 0.000 2.248 296 R HA 0.227 4.590 4.340 0.038 0.000 0.337 296 R C -0.212 176.098 176.300 0.016 0.000 1.106 296 R CA -0.054 56.011 56.100 -0.058 0.000 0.959 296 R CB 0.170 30.431 30.300 -0.066 0.000 1.075 296 R HN 0.870 nan 8.270 nan 0.000 0.480 297 C N 2.046 121.397 119.300 0.086 0.000 2.735 297 C HA 0.319 4.801 4.460 0.038 0.000 0.271 297 C C 1.192 176.215 174.990 0.056 0.000 1.281 297 C CA 0.453 59.559 59.018 0.148 0.000 1.719 297 C CB -0.726 27.205 27.740 0.319 0.000 2.024 297 C HN 1.032 nan 8.230 nan 0.000 0.566 298 G N 0.550 109.383 108.800 0.055 0.000 2.631 298 G HA2 -0.166 3.816 3.960 0.038 0.000 0.504 298 G HA3 -0.166 3.816 3.960 0.038 0.000 0.504 298 G C 0.121 175.153 174.900 0.220 0.000 1.306 298 G CA -0.036 45.103 45.100 0.065 0.000 0.897 298 G HN 0.586 nan 8.290 nan 0.000 0.520 299 W N 0.654 121.958 121.300 0.007 0.000 3.180 299 W HA 0.484 5.166 4.660 0.037 0.000 0.254 299 W C 0.597 177.230 176.519 0.189 0.000 1.318 299 W CA 0.938 58.342 57.345 0.098 0.000 1.608 299 W CB -1.357 28.189 29.460 0.145 0.000 1.124 299 W HN 1.503 nan 8.180 nan 0.000 0.694 300 S N -1.195 114.362 115.700 -0.239 0.000 2.688 300 S HA 0.667 5.159 4.470 0.038 0.000 0.275 300 S C 0.614 174.915 174.600 -0.498 0.000 1.175 300 S CA -0.101 57.914 58.200 -0.308 0.000 0.818 300 S CB 1.299 63.924 63.200 -0.959 0.000 1.157 300 S HN 0.045 nan 8.310 nan 0.000 0.482 301 A N 0.685 123.092 122.820 -0.689 0.000 1.929 301 A HA 0.161 4.504 4.320 0.038 0.000 0.216 301 A C 1.121 178.406 177.584 -0.498 0.000 1.176 301 A CA 1.881 53.339 52.037 -0.965 0.000 0.628 301 A CB -1.836 16.733 19.000 -0.718 0.000 0.816 301 A HN 1.240 nan 8.150 nan 0.000 0.444 302 D N -1.390 118.808 120.400 -0.337 0.000 3.630 302 D HA -0.262 4.401 4.640 0.038 0.000 0.154 302 D C 0.391 176.627 176.300 -0.107 0.000 0.923 302 D CA 2.465 56.360 54.000 -0.174 0.000 0.967 302 D CB -0.920 39.809 40.800 -0.119 0.000 0.459 302 D HN 0.196 nan 8.370 nan 0.000 0.425 303 L N 0.304 121.509 121.223 -0.030 0.000 2.872 303 L HA 0.265 4.628 4.340 0.038 0.000 0.245 303 L C 1.846 178.649 176.870 -0.111 0.000 1.211 303 L CA -0.072 54.763 54.840 -0.008 0.000 1.013 303 L CB 0.148 42.272 42.059 0.109 0.000 1.326 303 L HN 0.163 nan 8.230 nan 0.000 0.525 304 S N 0.901 116.526 115.700 -0.124 0.000 2.372 304 S HA -0.269 4.224 4.470 0.038 0.000 0.227 304 S C 1.910 176.377 174.600 -0.223 0.000 1.044 304 S CA 1.688 59.752 58.200 -0.228 0.000 1.050 304 S CB -0.229 62.900 63.200 -0.118 0.000 0.901 304 S HN 0.481 nan 8.310 nan 0.000 0.447 305 L N 1.975 123.110 121.223 -0.146 0.000 1.978 305 L HA -0.141 4.222 4.340 0.038 0.000 0.218 305 L C -1.040 175.825 176.870 -0.009 0.000 1.075 305 L CA 1.876 56.675 54.840 -0.068 0.000 0.767 305 L CB -1.151 40.885 42.059 -0.038 0.000 0.890 305 L HN 0.240 nan 8.230 nan 0.000 0.434 306 P HA -0.112 nan 4.420 nan 0.000 0.216 306 P C 1.957 179.271 177.300 0.024 0.000 1.153 306 P CA 1.179 64.389 63.100 0.183 0.000 0.844 306 P CB 0.036 31.982 31.700 0.409 0.000 0.787 307 V N -0.121 119.577 119.914 -0.360 0.000 2.231 307 V HA -0.322 3.821 4.120 0.038 0.000 0.248 307 V C 2.554 178.524 176.094 -0.206 0.000 1.054 307 V CA 2.313 64.275 62.300 -0.564 0.000 1.015 307 V CB -1.566 29.780 31.823 -0.796 0.000 0.638 307 V HN 0.193 nan 8.190 nan 0.000 0.444 308 C N 0.086 119.279 119.300 -0.178 0.000 2.413 308 C HA -0.175 4.308 4.460 0.038 0.000 0.277 308 C C 2.493 177.504 174.990 0.035 0.000 1.265 308 C CA 0.888 59.893 59.018 -0.021 0.000 1.752 308 C CB -1.269 26.437 27.740 -0.057 0.000 1.998 308 C HN 0.620 nan 8.230 nan 0.000 0.489 309 D N 0.128 120.564 120.400 0.060 0.000 2.190 309 D HA -0.159 4.503 4.640 0.038 0.000 0.200 309 D C 2.261 178.699 176.300 0.230 0.000 0.992 309 D CA 1.101 55.212 54.000 0.185 0.000 0.854 309 D CB -0.505 40.509 40.800 0.357 0.000 0.936 309 D HN 0.543 nan 8.370 nan 0.000 0.462 310 R N 0.264 120.881 120.500 0.196 0.000 2.153 310 R HA 0.055 4.418 4.340 0.038 0.000 0.218 310 R C 1.958 178.413 176.300 0.259 0.000 1.072 310 R CA 0.990 57.240 56.100 0.250 0.000 0.990 310 R CB 0.047 30.511 30.300 0.273 0.000 0.889 310 R HN 0.093 nan 8.270 nan 0.000 0.452 311 A N 0.703 123.607 122.820 0.140 0.000 1.968 311 A HA -0.073 4.270 4.320 0.038 0.000 0.217 311 A C 2.102 179.827 177.584 0.236 0.000 1.169 311 A CA 0.913 53.002 52.037 0.085 0.000 0.638 311 A CB -0.260 18.641 19.000 -0.165 0.000 0.812 311 A HN 0.281 nan 8.150 nan 0.000 0.446 312 M N -1.133 118.614 119.600 0.245 0.000 2.117 312 M HA -0.110 4.393 4.480 0.038 0.000 0.262 312 M C 1.871 178.447 176.300 0.460 0.000 1.065 312 M CA 1.176 56.630 55.300 0.257 0.000 1.114 312 M CB -0.530 31.969 32.600 -0.168 0.000 1.361 312 M HN 0.334 nan 8.290 nan 0.000 0.408 313 L N -0.531 120.934 121.223 0.405 0.000 2.353 313 L HA -0.159 4.203 4.340 0.038 0.000 0.220 313 L C 1.385 178.335 176.870 0.133 0.000 1.133 313 L CA 1.935 56.901 54.840 0.211 0.000 0.798 313 L CB -0.918 41.098 42.059 -0.072 0.000 0.922 313 L HN 0.298 nan 8.230 nan 0.000 0.445 314 H N -2.571 116.659 119.070 0.267 0.000 2.672 314 H HA 0.374 4.953 4.556 0.038 0.000 0.277 314 H C 1.830 177.265 175.328 0.178 0.000 1.074 314 H CA 0.498 56.673 56.048 0.212 0.000 1.173 314 H CB 0.334 30.130 29.762 0.058 0.000 1.558 314 H HN 0.183 nan 8.280 nan 0.000 0.539 315 A N 0.821 123.779 122.820 0.230 0.000 2.225 315 A HA -0.151 4.192 4.320 0.038 0.000 0.215 315 A C 1.518 179.101 177.584 -0.001 0.000 1.164 315 A CA 1.553 53.552 52.037 -0.063 0.000 0.710 315 A CB -0.168 18.707 19.000 -0.208 0.000 0.780 315 A HN 0.528 nan 8.150 nan 0.000 0.473 316 D N -1.593 118.921 120.400 0.191 0.000 2.350 316 D HA 0.273 4.936 4.640 0.038 0.000 0.213 316 D C 1.200 177.673 176.300 0.287 0.000 1.031 316 D CA 0.861 55.007 54.000 0.243 0.000 0.861 316 D CB -0.775 40.239 40.800 0.356 0.000 0.926 316 D HN 0.588 nan 8.370 nan 0.000 0.520 317 G N 0.910 109.854 108.800 0.240 0.000 2.582 317 G HA2 -0.320 3.663 3.960 0.038 0.000 0.288 317 G HA3 -0.320 3.663 3.960 0.038 0.000 0.288 317 G C 0.520 175.417 174.900 -0.005 0.000 1.247 317 G CA 0.557 45.762 45.100 0.175 0.000 0.972 317 G HN 0.309 nan 8.290 nan 0.000 0.557 318 S N 0.935 116.352 115.700 -0.472 0.000 2.685 318 S HA 0.460 4.952 4.470 0.038 0.000 0.240 318 S C -0.466 173.752 174.600 -0.637 0.000 0.967 318 S CA 0.450 58.330 58.200 -0.533 0.000 1.009 318 S CB -0.289 62.529 63.200 -0.637 0.000 0.776 318 S HN 0.453 nan 8.310 nan 0.000 0.467 319 Y N -0.407 120.000 120.300 0.178 0.000 2.536 319 Y HA 0.559 5.132 4.550 0.038 0.000 0.347 319 Y C -0.408 175.218 175.900 -0.457 0.000 1.000 319 Y CA -1.993 56.058 58.100 -0.081 0.000 1.051 319 Y CB 0.646 39.119 38.460 0.022 0.000 1.259 319 Y HN 0.122 nan 8.280 nan 0.000 0.468 320 F N 2.355 121.905 119.950 -0.667 0.000 2.438 320 F HA 0.630 5.179 4.527 0.038 0.000 0.356 320 F C -1.037 174.680 175.800 -0.139 0.000 1.099 320 F CA -0.754 56.903 58.000 -0.572 0.000 1.185 320 F CB 0.427 39.163 39.000 -0.440 0.000 1.115 320 F HN 0.183 nan 8.300 nan 0.000 0.526 321 V N 8.981 128.337 119.914 -0.929 0.000 2.525 321 V HA 0.257 4.399 4.120 0.038 0.000 0.299 321 V C -1.898 173.703 176.094 -0.821 0.000 1.034 321 V CA -1.259 60.629 62.300 -0.687 0.000 0.863 321 V CB 1.802 33.467 31.823 -0.264 0.000 0.999 321 V HN 0.657 nan 8.190 nan 0.000 0.423 322 P HA 0.074 nan 4.420 nan 0.000 0.221 322 P C 0.145 177.340 177.300 -0.175 0.000 1.150 322 P CA 0.965 63.839 63.100 -0.377 0.000 0.800 322 P CB 0.416 32.032 31.700 -0.139 0.000 0.787 323 A N -0.624 122.111 122.820 -0.141 0.000 2.455 323 A HA 0.756 5.098 4.320 0.038 0.000 0.300 323 A C -1.626 175.936 177.584 -0.036 0.000 1.040 323 A CA -0.586 51.420 52.037 -0.051 0.000 0.697 323 A CB 0.991 19.975 19.000 -0.026 0.000 1.265 323 A HN 0.095 nan 8.150 nan 0.000 0.407 324 L N 1.537 122.774 121.223 0.024 0.000 2.611 324 L HA 0.701 5.063 4.340 0.038 0.000 0.260 324 L C -1.108 175.832 176.870 0.116 0.000 0.924 324 L CA -0.453 54.412 54.840 0.042 0.000 0.901 324 L CB 1.756 43.811 42.059 -0.006 0.000 1.369 324 L HN 0.919 nan 8.230 nan 0.000 0.415 325 R N 4.402 124.979 120.500 0.129 0.000 2.686 325 R HA 0.820 5.182 4.340 0.038 0.000 0.286 325 R C -1.773 174.636 176.300 0.181 0.000 0.969 325 R CA -0.534 55.662 56.100 0.159 0.000 0.898 325 R CB 1.892 32.252 30.300 0.100 0.000 1.183 325 R HN 0.665 nan 8.270 nan 0.000 0.456 326 I N 2.005 122.663 120.570 0.148 0.000 2.582 326 I HA 0.304 4.497 4.170 0.038 0.000 0.292 326 I C -0.863 175.222 176.117 -0.054 0.000 1.066 326 I CA -0.593 60.724 61.300 0.028 0.000 1.053 326 I CB 2.303 40.281 38.000 -0.036 0.000 1.241 326 I HN 0.593 nan 8.210 nan 0.000 0.421 327 E N 4.451 124.610 120.200 -0.067 0.000 2.216 327 E HA 0.443 4.816 4.350 0.038 0.000 0.260 327 E C -1.477 175.056 176.600 -0.112 0.000 0.880 327 E CA -0.410 55.930 56.400 -0.101 0.000 0.765 327 E CB 1.698 31.389 29.700 -0.015 0.000 1.174 327 E HN 0.501 nan 8.360 nan 0.000 0.417 328 S N 5.022 120.591 115.700 -0.218 0.000 2.594 328 S HA 0.298 4.791 4.470 0.038 0.000 0.322 328 S C -1.035 173.481 174.600 -0.141 0.000 1.085 328 S CA -0.635 57.512 58.200 -0.087 0.000 1.116 328 S CB 0.284 63.415 63.200 -0.114 0.000 0.979 328 S HN 0.554 nan 8.310 nan 0.000 0.465 329 H N 4.458 123.524 119.070 -0.007 0.000 2.458 329 H HA 0.431 5.010 4.556 0.038 0.000 0.330 329 H C -0.043 175.256 175.328 -0.049 0.000 1.111 329 H CA -0.875 55.158 56.048 -0.025 0.000 1.245 329 H CB 0.988 30.737 29.762 -0.021 0.000 1.456 329 H HN 0.516 nan 8.280 nan 0.000 0.488 330 R N 3.772 124.327 120.500 0.090 0.000 2.287 330 R HA 0.318 4.681 4.340 0.038 0.000 0.316 330 R C -0.425 175.946 176.300 0.117 0.000 1.050 330 R CA -0.579 55.567 56.100 0.076 0.000 0.983 330 R CB 0.525 30.876 30.300 0.085 0.000 1.140 330 R HN 0.435 nan 8.270 nan 0.000 0.528 331 L N 2.572 123.823 121.223 0.046 0.000 2.349 331 L HA 0.431 4.793 4.340 0.038 0.000 0.275 331 L C 0.807 177.662 176.870 -0.025 0.000 1.115 331 L CA -0.575 54.257 54.840 -0.013 0.000 0.820 331 L CB 0.687 42.718 42.059 -0.048 0.000 1.135 331 L HN 0.381 nan 8.230 nan 0.000 0.445 332 R N 1.878 122.275 120.500 -0.171 0.000 2.368 332 R HA 0.578 4.940 4.340 0.038 0.000 0.302 332 R C -0.642 175.590 176.300 -0.113 0.000 1.002 332 R CA -0.182 55.768 56.100 -0.250 0.000 0.929 332 R CB 1.399 31.302 30.300 -0.661 0.000 1.073 332 R HN 0.848 nan 8.270 nan 0.000 0.464 333 T N 0.041 114.579 114.554 -0.027 0.000 2.821 333 T HA 0.254 4.626 4.350 0.038 0.000 0.306 333 T C -0.651 174.071 174.700 0.036 0.000 1.313 333 T CA -1.120 60.960 62.100 -0.033 0.000 1.012 333 T CB 1.230 70.033 68.868 -0.108 0.000 1.298 333 T HN 0.624 nan 8.240 nan 0.000 0.502 334 N N 1.745 120.452 118.700 0.011 0.000 3.254 334 N HA 0.400 5.163 4.740 0.038 0.000 0.308 334 N C -0.110 175.418 175.510 0.031 0.000 1.281 334 N CA -0.178 52.921 53.050 0.082 0.000 1.212 334 N CB 0.138 38.650 38.487 0.042 0.000 1.478 334 N HN 0.855 nan 8.380 nan 0.000 0.548 335 T N -3.502 111.055 114.554 0.005 0.000 2.754 335 T HA 0.322 4.695 4.350 0.038 0.000 0.296 335 T C -0.478 174.143 174.700 -0.131 0.000 1.205 335 T CA -1.127 60.910 62.100 -0.105 0.000 1.009 335 T CB 0.744 69.310 68.868 -0.504 0.000 1.368 335 T HN -0.133 nan 8.240 nan 0.000 0.509 336 Q N 1.498 121.193 119.800 -0.175 0.000 2.368 336 Q HA 0.243 4.605 4.340 0.038 0.000 0.331 336 Q C 0.320 176.230 176.000 -0.150 0.000 1.086 336 Q CA 0.406 56.026 55.803 -0.304 0.000 1.031 336 Q CB 0.103 28.842 28.738 0.002 0.000 1.125 336 Q HN 0.683 nan 8.270 nan 0.000 0.389 337 S N 4.023 119.620 115.700 -0.172 0.000 2.503 337 S HA 0.062 4.555 4.470 0.038 0.000 0.317 337 S C 0.028 174.527 174.600 -0.167 0.000 1.162 337 S CA -0.690 57.376 58.200 -0.223 0.000 1.124 337 S CB -0.256 62.680 63.200 -0.440 0.000 1.207 337 S HN 0.476 nan 8.310 nan 0.000 0.538 338 N N 2.998 121.569 118.700 -0.215 0.000 2.267 338 N HA 0.174 4.937 4.740 0.038 0.000 0.226 338 N C 0.468 175.876 175.510 -0.169 0.000 1.314 338 N CA 0.299 53.146 53.050 -0.337 0.000 0.887 338 N CB 0.675 38.669 38.487 -0.822 0.000 1.120 338 N HN 0.674 nan 8.380 nan 0.000 0.440 339 T N -1.702 112.846 114.554 -0.010 0.000 2.646 339 T HA 0.540 4.913 4.350 0.038 0.000 0.297 339 T C -1.514 173.332 174.700 0.244 0.000 1.363 339 T CA -0.334 61.869 62.100 0.172 0.000 1.056 339 T CB 0.007 68.960 68.868 0.141 0.000 1.779 339 T HN 0.525 nan 8.240 nan 0.000 0.459 340 A N 0.862 123.837 122.820 0.259 0.000 2.371 340 A HA 0.728 5.071 4.320 0.038 0.000 0.257 340 A C -0.948 176.910 177.584 0.457 0.000 1.089 340 A CA -0.152 52.092 52.037 0.344 0.000 0.794 340 A CB -0.270 19.028 19.000 0.497 0.000 1.029 340 A HN 0.712 nan 8.150 nan 0.000 0.488 341 F N 0.996 121.069 119.950 0.206 0.000 2.651 341 F HA 0.417 4.968 4.527 0.040 0.000 0.329 341 F C 0.358 176.076 175.800 -0.137 0.000 1.186 341 F CA -0.980 57.060 58.000 0.067 0.000 1.046 341 F CB 1.246 40.119 39.000 -0.212 0.000 1.296 341 F HN 0.823 nan 8.300 nan 0.000 0.497 342 R N 4.019 124.704 120.500 0.308 0.000 4.211 342 R HA -0.041 4.322 4.340 0.038 0.000 0.105 342 R C 0.981 177.037 176.300 -0.406 0.000 0.348 342 R CA 2.090 58.144 56.100 -0.076 0.000 0.774 342 R CB -0.626 29.562 30.300 -0.188 0.000 1.120 342 R HN 1.207 nan 8.270 nan 0.000 0.212 343 G N 3.552 112.264 108.800 -0.146 0.000 2.349 343 G HA2 -0.322 3.661 3.960 0.038 0.000 0.213 343 G HA3 -0.322 3.661 3.960 0.038 0.000 0.213 343 G C 0.228 175.262 174.900 0.224 0.000 1.044 343 G CA -0.103 44.993 45.100 -0.007 0.000 0.633 343 G HN 0.897 nan 8.290 nan 0.000 0.506 344 F N 1.066 120.990 119.950 -0.044 0.000 2.667 344 F HA 0.096 4.646 4.527 0.038 0.000 0.250 344 F C 1.845 177.630 175.800 -0.024 0.000 1.029 344 F CA 2.604 60.608 58.000 0.008 0.000 0.944 344 F CB -0.973 38.044 39.000 0.029 0.000 0.994 344 F HN 2.092 nan 8.300 nan 0.000 0.842 345 G N 0.677 109.412 108.800 -0.107 0.000 2.417 345 G HA2 -0.333 3.650 3.960 0.038 0.000 0.233 345 G HA3 -0.333 3.650 3.960 0.038 0.000 0.233 345 G C 1.664 176.468 174.900 -0.160 0.000 1.103 345 G CA 0.822 45.831 45.100 -0.151 0.000 0.647 345 G HN 1.649 nan 8.290 nan 0.000 0.512 346 G N 2.041 110.777 108.800 -0.107 0.000 2.513 346 G HA2 -0.027 3.956 3.960 0.038 0.000 0.219 346 G HA3 -0.027 3.956 3.960 0.038 0.000 0.219 346 G C 0.145 174.990 174.900 -0.092 0.000 1.160 346 G CA 2.193 47.142 45.100 -0.252 0.000 0.767 346 G HN 0.585 nan 8.290 nan 0.000 0.571 347 P HA -0.061 nan 4.420 nan 0.000 0.216 347 P C 1.784 179.116 177.300 0.054 0.000 1.153 347 P CA 1.320 64.487 63.100 0.111 0.000 0.848 347 P CB -0.015 31.765 31.700 0.134 0.000 0.787 348 Q N -0.641 119.067 119.800 -0.153 0.000 2.050 348 Q HA -0.063 4.299 4.340 0.038 0.000 0.202 348 Q C 2.447 178.217 176.000 -0.384 0.000 0.980 348 Q CA 2.015 57.585 55.803 -0.389 0.000 0.840 348 Q CB -1.664 26.386 28.738 -1.147 0.000 0.898 348 Q HN 0.237 nan 8.270 nan 0.000 0.424 349 G N 0.235 108.840 108.800 -0.325 0.000 2.422 349 G HA2 -0.205 3.778 3.960 0.038 0.000 0.218 349 G HA3 -0.205 3.778 3.960 0.038 0.000 0.218 349 G C 1.472 176.362 174.900 -0.016 0.000 1.146 349 G CA 0.866 45.879 45.100 -0.146 0.000 0.769 349 G HN 0.442 nan 8.290 nan 0.000 0.547 350 A N 0.472 123.324 122.820 0.053 0.000 1.873 350 A HA 0.106 4.448 4.320 0.038 0.000 0.215 350 A C 2.326 179.981 177.584 0.119 0.000 1.186 350 A CA 1.570 53.679 52.037 0.120 0.000 0.616 350 A CB -0.471 18.617 19.000 0.147 0.000 0.823 350 A HN 0.450 nan 8.150 nan 0.000 0.442 351 L N 0.372 121.655 121.223 0.100 0.000 2.131 351 L HA -0.027 4.335 4.340 0.038 0.000 0.210 351 L C 2.284 179.273 176.870 0.199 0.000 1.092 351 L CA 2.019 56.927 54.840 0.113 0.000 0.759 351 L CB -1.015 41.073 42.059 0.048 0.000 0.903 351 L HN 0.312 nan 8.230 nan 0.000 0.435 352 G N -0.200 108.704 108.800 0.175 0.000 2.514 352 G HA2 -0.398 3.584 3.960 0.038 0.000 0.217 352 G HA3 -0.398 3.584 3.960 0.038 0.000 0.217 352 G C 1.550 176.618 174.900 0.280 0.000 1.198 352 G CA 1.226 46.496 45.100 0.283 0.000 0.780 352 G HN 0.474 nan 8.290 nan 0.000 0.565 353 M N 0.344 120.050 119.600 0.177 0.000 2.229 353 M HA 0.115 4.618 4.480 0.038 0.000 0.264 353 M C 2.143 178.578 176.300 0.224 0.000 1.063 353 M CA 1.387 56.895 55.300 0.348 0.000 1.114 353 M CB -0.172 32.637 32.600 0.349 0.000 1.387 353 M HN 0.122 nan 8.290 nan 0.000 0.420 354 E N 0.158 120.472 120.200 0.190 0.000 2.072 354 E HA -0.154 4.219 4.350 0.038 0.000 0.191 354 E C 2.207 178.822 176.600 0.026 0.000 0.985 354 E CA 0.797 57.289 56.400 0.153 0.000 0.801 354 E CB -0.493 29.305 29.700 0.163 0.000 0.750 354 E HN 0.457 nan 8.360 nan 0.000 0.452 355 R N 0.649 121.122 120.500 -0.044 0.000 2.105 355 R HA -0.087 4.276 4.340 0.038 0.000 0.239 355 R C 2.044 178.187 176.300 -0.262 0.000 1.135 355 R CA 1.322 57.287 56.100 -0.224 0.000 0.967 355 R CB -0.466 29.474 30.300 -0.599 0.000 0.861 355 R HN 0.156 nan 8.270 nan 0.000 0.442 356 A N 0.616 123.219 122.820 -0.362 0.000 1.840 356 A HA -0.100 4.243 4.320 0.038 0.000 0.214 356 A C 2.314 179.775 177.584 -0.206 0.000 1.198 356 A CA 1.045 52.759 52.037 -0.538 0.000 0.608 356 A CB -0.661 17.978 19.000 -0.602 0.000 0.839 356 A HN 0.303 nan 8.150 nan 0.000 0.443 357 I N -0.239 120.246 120.570 -0.142 0.000 2.236 357 I HA -0.325 3.867 4.170 0.038 0.000 0.249 357 I C 2.405 178.459 176.117 -0.104 0.000 1.102 357 I CA 2.221 63.427 61.300 -0.157 0.000 1.365 357 I CB -0.018 37.842 38.000 -0.233 0.000 1.051 357 I HN 0.565 nan 8.210 nan 0.000 0.420 358 E N -0.242 119.922 120.200 -0.060 0.000 2.072 358 E HA -0.313 4.060 4.350 0.038 0.000 0.191 358 E C 2.232 178.856 176.600 0.039 0.000 0.985 358 E CA 1.485 57.874 56.400 -0.019 0.000 0.801 358 E CB -0.222 29.438 29.700 -0.066 0.000 0.750 358 E HN 0.534 nan 8.360 nan 0.000 0.452 359 H N 0.108 119.110 119.070 -0.112 0.000 2.293 359 H HA -0.115 4.463 4.556 0.038 0.000 0.300 359 H C 2.016 177.185 175.328 -0.264 0.000 1.082 359 H CA 1.665 57.519 56.048 -0.324 0.000 1.308 359 H CB -0.680 28.899 29.762 -0.305 0.000 1.375 359 H HN 0.285 nan 8.280 nan 0.000 0.495 360 L N 0.814 121.982 121.223 -0.092 0.000 1.978 360 L HA -0.217 4.146 4.340 0.038 0.000 0.218 360 L C 2.656 179.454 176.870 -0.120 0.000 1.075 360 L CA 2.547 57.300 54.840 -0.146 0.000 0.767 360 L CB -1.454 40.518 42.059 -0.144 0.000 0.890 360 L HN 0.342 nan 8.230 nan 0.000 0.434 361 A N -0.730 122.035 122.820 -0.092 0.000 1.892 361 A HA -0.258 4.085 4.320 0.038 0.000 0.218 361 A C 2.281 179.840 177.584 -0.041 0.000 1.188 361 A CA 2.007 53.998 52.037 -0.077 0.000 0.631 361 A CB -0.596 18.375 19.000 -0.048 0.000 0.822 361 A HN 0.497 nan 8.150 nan 0.000 0.447 362 R N -0.641 119.871 120.500 0.019 0.000 2.091 362 R HA -0.132 4.231 4.340 0.038 0.000 0.238 362 R C 2.376 178.672 176.300 -0.006 0.000 1.136 362 R CA 1.340 57.474 56.100 0.057 0.000 0.959 362 R CB -1.787 28.614 30.300 0.168 0.000 0.856 362 R HN 0.555 nan 8.270 nan 0.000 0.437 363 G N 1.864 110.631 108.800 -0.054 0.000 2.505 363 G HA2 -0.262 3.721 3.960 0.038 0.000 0.220 363 G HA3 -0.262 3.721 3.960 0.038 0.000 0.220 363 G C 1.279 176.133 174.900 -0.077 0.000 1.145 363 G CA 1.224 46.276 45.100 -0.080 0.000 0.761 363 G HN 0.450 nan 8.290 nan 0.000 0.571 364 M N -0.365 119.148 119.600 -0.145 0.000 2.637 364 M HA 0.516 5.018 4.480 0.038 0.000 0.286 364 M C 1.276 177.494 176.300 -0.138 0.000 1.246 364 M CA 0.163 55.332 55.300 -0.219 0.000 0.978 364 M CB 0.360 32.610 32.600 -0.584 0.000 1.417 364 M HN 0.160 nan 8.290 nan 0.000 0.487 365 G N 2.007 110.764 108.800 -0.072 0.000 2.337 365 G HA2 -0.281 3.701 3.960 0.038 0.000 0.290 365 G HA3 -0.281 3.701 3.960 0.038 0.000 0.290 365 G C 0.135 175.002 174.900 -0.055 0.000 1.003 365 G CA 0.487 45.560 45.100 -0.044 0.000 0.825 365 G HN 0.641 nan 8.290 nan 0.000 0.509 366 R N -0.341 120.113 120.500 -0.077 0.000 2.549 366 R HA 0.404 4.766 4.340 0.038 0.000 0.267 366 R C -0.321 175.956 176.300 -0.037 0.000 1.045 366 R CA -0.598 55.460 56.100 -0.070 0.000 1.115 366 R CB 0.513 30.750 30.300 -0.106 0.000 1.121 366 R HN 0.213 nan 8.270 nan 0.000 0.543 367 D N 2.040 122.423 120.400 -0.030 0.000 2.317 367 D HA 0.115 4.777 4.640 0.038 0.000 0.252 367 D C -1.799 174.503 176.300 0.003 0.000 1.174 367 D CA -2.076 51.921 54.000 -0.005 0.000 0.866 367 D CB 1.514 42.311 40.800 -0.004 0.000 1.127 367 D HN 0.135 nan 8.370 nan 0.000 0.467 368 P HA -0.195 nan 4.420 nan 0.000 0.216 368 P C 0.979 178.296 177.300 0.029 0.000 1.154 368 P CA 2.014 65.129 63.100 0.025 0.000 0.865 368 P CB 0.111 31.854 31.700 0.071 0.000 0.789 369 A N -0.365 122.507 122.820 0.087 0.000 1.902 369 A HA -0.213 4.130 4.320 0.038 0.000 0.217 369 A C 2.172 179.767 177.584 0.018 0.000 1.181 369 A CA 1.624 53.728 52.037 0.112 0.000 0.623 369 A CB -0.977 18.176 19.000 0.255 0.000 0.818 369 A HN 0.075 nan 8.150 nan 0.000 0.443 370 E N -0.512 119.686 120.200 -0.004 0.000 2.072 370 E HA -0.094 4.279 4.350 0.038 0.000 0.190 370 E C 1.934 178.466 176.600 -0.114 0.000 0.982 370 E CA 0.618 56.987 56.400 -0.052 0.000 0.803 370 E CB -0.672 29.008 29.700 -0.035 0.000 0.755 370 E HN 0.431 nan 8.360 nan 0.000 0.453 371 L N 1.716 122.875 121.223 -0.106 0.000 1.990 371 L HA -0.230 4.133 4.340 0.038 0.000 0.213 371 L C 2.222 178.956 176.870 -0.227 0.000 1.072 371 L CA 1.890 56.639 54.840 -0.151 0.000 0.755 371 L CB -0.473 41.500 42.059 -0.143 0.000 0.889 371 L HN 0.025 nan 8.230 nan 0.000 0.432 372 R N -0.800 119.569 120.500 -0.218 0.000 2.088 372 R HA -0.159 4.204 4.340 0.038 0.000 0.232 372 R C 2.144 178.071 176.300 -0.623 0.000 1.136 372 R CA 1.555 57.502 56.100 -0.256 0.000 0.926 372 R CB -1.095 29.235 30.300 0.048 0.000 0.837 372 R HN 0.499 nan 8.270 nan 0.000 0.429 373 A N 1.419 123.841 122.820 -0.663 0.000 1.958 373 A HA -0.202 4.140 4.320 0.038 0.000 0.221 373 A C 2.184 179.429 177.584 -0.564 0.000 1.178 373 A CA 1.424 52.921 52.037 -0.901 0.000 0.642 373 A CB -0.555 18.259 19.000 -0.311 0.000 0.816 373 A HN 0.265 nan 8.150 nan 0.000 0.453 374 L N -0.169 120.866 121.223 -0.314 0.000 2.141 374 L HA -0.066 4.296 4.340 0.038 0.000 0.209 374 L C 1.522 178.321 176.870 -0.119 0.000 1.094 374 L CA 1.650 56.390 54.840 -0.167 0.000 0.763 374 L CB -0.261 41.726 42.059 -0.119 0.000 0.908 374 L HN 0.400 nan 8.230 nan 0.000 0.437 375 N N -1.326 117.292 118.700 -0.137 0.000 2.280 375 N HA 0.078 4.840 4.740 0.038 0.000 0.192 375 N C 0.037 175.707 175.510 0.267 0.000 1.109 375 N CA -0.106 52.967 53.050 0.039 0.000 0.855 375 N CB 0.193 38.666 38.487 -0.023 0.000 0.974 375 N HN 0.237 nan 8.380 nan 0.000 0.482 376 F N 0.886 120.980 119.950 0.239 0.000 2.628 376 F HA -0.079 4.471 4.527 0.038 0.000 0.346 376 F C 1.116 176.948 175.800 0.053 0.000 1.188 376 F CA -0.629 57.456 58.000 0.143 0.000 1.376 376 F CB 0.236 39.286 39.000 0.084 0.000 1.104 376 F HN -0.002 nan 8.300 nan 0.000 0.616 377 Y N 0.868 121.322 120.300 0.257 0.000 2.459 377 Y HA -0.065 4.508 4.550 0.038 0.000 0.349 377 Y C 0.756 176.694 175.900 0.062 0.000 1.266 377 Y CA -0.148 58.022 58.100 0.117 0.000 1.483 377 Y CB 0.129 38.605 38.460 0.028 0.000 1.362 377 Y HN 0.407 nan 8.280 nan 0.000 0.628 378 D N 2.331 122.825 120.400 0.156 0.000 2.339 378 D HA 0.188 4.851 4.640 0.038 0.000 0.245 378 D C -2.151 174.181 176.300 0.054 0.000 1.115 378 D CA -1.181 52.859 54.000 0.066 0.000 0.917 378 D CB 0.548 41.347 40.800 -0.001 0.000 1.192 378 D HN 0.235 nan 8.370 nan 0.000 0.428 379 P HA 0.183 nan 4.420 nan 0.000 0.272 379 P C -2.459 174.847 177.300 0.011 0.000 1.254 379 P CA -0.737 62.367 63.100 0.006 0.000 0.795 379 P CB -0.373 31.338 31.700 0.017 0.000 1.022 380 P HA 0.428 nan 4.420 nan 0.000 0.281 380 P C -0.849 176.464 177.300 0.021 0.000 1.264 380 P CA -0.046 63.066 63.100 0.021 0.000 0.824 380 P CB 0.394 32.113 31.700 0.031 0.000 1.092 399 K N 0.572 120.973 120.400 0.002 0.000 5.705 399 K HA -0.181 4.161 4.320 0.038 0.000 0.638 399 K C -1.382 175.210 176.600 -0.013 0.000 1.874 399 K CA 1.284 57.571 56.287 -0.000 0.000 1.442 399 K CB -2.098 30.403 32.500 0.002 0.000 1.832 399 K HN 0.669 nan 8.250 nan 0.000 0.290 400 T N 4.186 118.738 114.554 -0.005 0.000 2.928 400 T HA 0.275 4.648 4.350 0.038 0.000 0.284 400 T C 0.450 175.142 174.700 -0.014 0.000 1.008 400 T CA -0.748 61.346 62.100 -0.011 0.000 1.057 400 T CB 1.127 70.000 68.868 0.009 0.000 1.018 400 T HN 0.501 nan 8.240 nan 0.000 0.493 401 Q N 1.077 120.855 119.800 -0.037 0.000 2.443 401 Q HA 0.476 4.839 4.340 0.038 0.000 0.232 401 Q C 0.550 176.625 176.000 0.125 0.000 1.026 401 Q CA -0.518 55.270 55.803 -0.026 0.000 0.924 401 Q CB 0.563 29.189 28.738 -0.186 0.000 1.256 401 Q HN 0.814 nan 8.270 nan 0.000 0.519 402 T N -2.857 111.848 114.554 0.252 0.000 2.926 402 T HA 0.551 4.923 4.350 0.038 0.000 0.289 402 T C 0.130 174.997 174.700 0.278 0.000 1.054 402 T CA -0.792 61.411 62.100 0.172 0.000 1.015 402 T CB 1.508 70.426 68.868 0.084 0.000 1.167 402 T HN 0.679 nan 8.240 nan 0.000 0.526 403 T N -1.221 113.324 114.554 -0.016 0.000 2.824 403 T HA 0.262 4.635 4.350 0.038 0.000 0.277 403 T C 1.310 175.964 174.700 -0.077 0.000 0.975 403 T CA -0.391 61.669 62.100 -0.066 0.000 0.966 403 T CB 0.223 68.642 68.868 -0.748 0.000 1.054 403 T HN 0.917 nan 8.240 nan 0.000 0.533 404 H N -0.170 118.883 119.070 -0.028 0.000 2.563 404 H HA 0.025 4.604 4.556 0.038 0.000 0.272 404 H C 0.837 176.224 175.328 0.098 0.000 1.005 404 H CA 0.509 56.600 56.048 0.073 0.000 1.171 404 H CB -0.937 28.937 29.762 0.186 0.000 1.351 404 H HN 0.915 nan 8.280 nan 0.000 0.602 405 Y N -1.471 118.643 120.300 -0.311 0.000 2.467 405 Y HA 0.506 5.079 4.550 0.038 0.000 0.250 405 Y C 1.489 177.306 175.900 -0.138 0.000 1.155 405 Y CA -0.543 57.377 58.100 -0.301 0.000 1.249 405 Y CB 0.274 38.461 38.460 -0.455 0.000 1.146 405 Y HN 0.179 nan 8.280 nan 0.000 0.524 406 G N 1.159 109.835 108.800 -0.207 0.000 2.165 406 G HA2 -0.288 3.694 3.960 0.038 0.000 0.226 406 G HA3 -0.288 3.694 3.960 0.038 0.000 0.226 406 G C -0.312 174.533 174.900 -0.092 0.000 1.035 406 G CA 0.100 45.148 45.100 -0.088 0.000 0.744 406 G HN 0.631 nan 8.290 nan 0.000 0.501 407 Q N 0.402 120.066 119.800 -0.226 0.000 2.307 407 Q HA 0.560 4.922 4.340 0.038 0.000 0.262 407 Q C 0.142 176.115 176.000 -0.045 0.000 0.961 407 Q CA -0.740 55.021 55.803 -0.070 0.000 0.882 407 Q CB 0.944 29.706 28.738 0.040 0.000 1.264 407 Q HN 0.463 nan 8.270 nan 0.000 0.446 408 E N 2.162 122.374 120.200 0.019 0.000 2.415 408 E HA 0.060 4.433 4.350 0.038 0.000 0.263 408 E C -0.765 175.851 176.600 0.026 0.000 0.995 408 E CA -0.063 56.351 56.400 0.023 0.000 0.915 408 E CB 1.113 30.837 29.700 0.040 0.000 0.951 408 E HN 0.388 nan 8.360 nan 0.000 0.449 409 V N 3.143 123.019 119.914 -0.064 0.000 2.304 409 V HA 0.203 4.346 4.120 0.038 0.000 0.262 409 V C 0.553 176.624 176.094 -0.039 0.000 1.061 409 V CA 0.009 62.215 62.300 -0.157 0.000 0.872 409 V CB 0.710 32.192 31.823 -0.568 0.000 1.077 409 V HN 0.774 nan 8.190 nan 0.000 0.480 410 A N 3.906 126.759 122.820 0.056 0.000 2.545 410 A HA 0.406 4.748 4.320 0.038 0.000 0.277 410 A C 0.660 178.293 177.584 0.081 0.000 1.301 410 A CA 0.120 52.194 52.037 0.061 0.000 0.935 410 A CB -0.167 18.878 19.000 0.074 0.000 1.093 410 A HN 0.813 nan 8.150 nan 0.000 0.519 411 D N -2.317 118.141 120.400 0.096 0.000 2.969 411 D HA 0.019 4.682 4.640 0.038 0.000 0.317 411 D C -0.422 175.894 176.300 0.028 0.000 1.650 411 D CA -0.226 53.842 54.000 0.114 0.000 0.789 411 D CB -1.349 39.584 40.800 0.221 0.000 1.277 411 D HN 0.055 nan 8.370 nan 0.000 0.463 412 C N 1.936 121.172 119.300 -0.106 0.000 2.322 412 C HA 0.514 4.997 4.460 0.038 0.000 0.343 412 C C 1.441 176.105 174.990 -0.542 0.000 1.190 412 C CA -0.336 58.397 59.018 -0.474 0.000 1.704 412 C CB -0.758 26.858 27.740 -0.205 0.000 2.293 412 C HN 0.346 nan 8.230 nan 0.000 0.523 413 V N 5.868 125.295 119.914 -0.811 0.000 3.252 413 V HA 0.196 4.338 4.120 0.038 0.000 0.350 413 V C 1.353 177.063 176.094 -0.642 0.000 1.329 413 V CA 0.502 62.487 62.300 -0.524 0.000 1.258 413 V CB -1.015 30.575 31.823 -0.388 0.000 1.208 413 V HN 0.910 nan 8.190 nan 0.000 0.462 414 L N 1.041 121.852 121.223 -0.688 0.000 2.046 414 L HA 0.032 4.394 4.340 0.038 0.000 0.208 414 L C 2.710 179.363 176.870 -0.363 0.000 1.077 414 L CA 1.894 56.315 54.840 -0.699 0.000 0.747 414 L CB -0.783 40.686 42.059 -0.984 0.000 0.896 414 L HN 0.553 nan 8.230 nan 0.000 0.432 415 G N -0.720 108.033 108.800 -0.079 0.000 2.459 415 G HA2 -0.300 3.683 3.960 0.038 0.000 0.217 415 G HA3 -0.300 3.683 3.960 0.038 0.000 0.217 415 G C 1.412 176.334 174.900 0.037 0.000 1.183 415 G CA 0.687 45.879 45.100 0.153 0.000 0.776 415 G HN 0.348 nan 8.290 nan 0.000 0.552 416 E N -0.342 119.838 120.200 -0.033 0.000 2.070 416 E HA -0.151 4.221 4.350 0.038 0.000 0.197 416 E C 2.479 179.055 176.600 -0.040 0.000 1.004 416 E CA 1.146 57.559 56.400 0.021 0.000 0.805 416 E CB -0.194 29.593 29.700 0.144 0.000 0.744 416 E HN 0.425 nan 8.360 nan 0.000 0.451 417 L N 0.194 121.228 121.223 -0.315 0.000 2.027 417 L HA -0.153 4.210 4.340 0.038 0.000 0.206 417 L C 2.327 179.106 176.870 -0.151 0.000 1.074 417 L CA 0.856 55.455 54.840 -0.402 0.000 0.745 417 L CB -0.057 41.510 42.059 -0.820 0.000 0.898 417 L HN -0.010 nan 8.230 nan 0.000 0.433 418 V N -0.331 119.516 119.914 -0.111 0.000 2.343 418 V HA -0.291 3.852 4.120 0.038 0.000 0.247 418 V C 2.521 178.634 176.094 0.031 0.000 1.051 418 V CA 2.237 64.533 62.300 -0.008 0.000 1.036 418 V CB -0.924 30.985 31.823 0.142 0.000 0.654 418 V HN 0.538 nan 8.190 nan 0.000 0.451 419 T N -0.195 114.395 114.554 0.059 0.000 2.580 419 T HA -0.303 4.070 4.350 0.038 0.000 0.265 419 T C 2.037 176.781 174.700 0.073 0.000 1.063 419 T CA 2.125 64.271 62.100 0.077 0.000 1.170 419 T CB -0.359 68.558 68.868 0.083 0.000 0.863 419 T HN 0.396 nan 8.240 nan 0.000 0.418 420 R N 0.391 120.942 120.500 0.085 0.000 2.154 420 R HA -0.150 4.213 4.340 0.038 0.000 0.248 420 R C 2.320 178.664 176.300 0.074 0.000 1.155 420 R CA 1.363 57.525 56.100 0.104 0.000 0.979 420 R CB -0.428 29.978 30.300 0.177 0.000 0.869 420 R HN 0.310 nan 8.270 nan 0.000 0.452 421 L N 0.666 121.912 121.223 0.039 0.000 2.131 421 L HA -0.065 4.297 4.340 0.038 0.000 0.206 421 L C 2.036 178.909 176.870 0.006 0.000 1.087 421 L CA 1.606 56.454 54.840 0.014 0.000 0.767 421 L CB -0.326 41.715 42.059 -0.029 0.000 0.917 421 L HN 0.190 nan 8.230 nan 0.000 0.441 422 Q N -0.624 119.182 119.800 0.010 0.000 2.084 422 Q HA -0.194 4.168 4.340 0.038 0.000 0.202 422 Q C 2.001 178.081 176.000 0.135 0.000 0.978 422 Q CA 1.593 57.434 55.803 0.062 0.000 0.844 422 Q CB -0.008 28.815 28.738 0.142 0.000 0.898 422 Q HN 0.383 nan 8.270 nan 0.000 0.426 423 K N 0.371 120.833 120.400 0.103 0.000 1.991 423 K HA -0.151 4.192 4.320 0.038 0.000 0.212 423 K C 2.242 178.890 176.600 0.080 0.000 1.049 423 K CA 1.839 58.181 56.287 0.092 0.000 0.932 423 K CB -1.205 31.340 32.500 0.075 0.000 0.717 423 K HN 0.230 nan 8.250 nan 0.000 0.441 424 S N 0.993 116.734 115.700 0.068 0.000 2.419 424 S HA -0.065 4.428 4.470 0.038 0.000 0.233 424 S C 2.007 176.641 174.600 0.056 0.000 1.016 424 S CA 1.196 59.431 58.200 0.058 0.000 0.974 424 S CB -0.169 63.064 63.200 0.055 0.000 0.786 424 S HN 0.320 nan 8.310 nan 0.000 0.492 425 A N 0.685 123.543 122.820 0.063 0.000 2.251 425 A HA 0.356 4.699 4.320 0.038 0.000 0.209 425 A C 0.907 178.559 177.584 0.114 0.000 1.187 425 A CA 0.352 52.431 52.037 0.070 0.000 0.823 425 A CB -0.975 18.050 19.000 0.041 0.000 0.846 425 A HN 0.740 nan 8.150 nan 0.000 0.486 426 N N -2.720 116.053 118.700 0.122 0.000 2.756 426 N HA -0.217 4.546 4.740 0.038 0.000 0.248 426 N C 0.235 175.848 175.510 0.172 0.000 1.062 426 N CA 0.600 53.718 53.050 0.113 0.000 0.696 426 N CB -1.402 37.129 38.487 0.074 0.000 0.946 426 N HN 0.427 nan 8.380 nan 0.000 0.548 427 F N 0.350 120.311 119.950 0.019 0.000 2.026 427 F HA -0.153 4.397 4.527 0.038 0.000 0.296 427 F C 2.407 178.216 175.800 0.015 0.000 1.133 427 F CA 2.224 60.236 58.000 0.019 0.000 1.188 427 F CB -0.975 38.042 39.000 0.028 0.000 0.968 427 F HN 0.214 nan 8.300 nan 0.000 0.476 428 T N -0.373 114.140 114.554 -0.068 0.000 2.580 428 T HA -0.231 4.142 4.350 0.038 0.000 0.265 428 T C 1.958 176.576 174.700 -0.136 0.000 1.063 428 T CA 2.577 64.566 62.100 -0.184 0.000 1.170 428 T CB -0.845 67.986 68.868 -0.061 0.000 0.863 428 T HN 0.297 nan 8.240 nan 0.000 0.418 429 T N 1.739 116.263 114.554 -0.051 0.000 2.653 429 T HA -0.158 4.215 4.350 0.038 0.000 0.268 429 T C 2.156 176.827 174.700 -0.048 0.000 1.035 429 T CA 1.278 63.357 62.100 -0.035 0.000 1.154 429 T CB -0.244 68.622 68.868 -0.003 0.000 0.862 429 T HN 0.305 nan 8.240 nan 0.000 0.441 430 R N 0.232 120.708 120.500 -0.040 0.000 2.105 430 R HA -0.040 4.323 4.340 0.038 0.000 0.239 430 R C 2.682 178.936 176.300 -0.077 0.000 1.135 430 R CA 1.284 57.363 56.100 -0.035 0.000 0.967 430 R CB -0.279 30.032 30.300 0.017 0.000 0.861 430 R HN 0.301 nan 8.270 nan 0.000 0.442 431 R N 0.354 120.753 120.500 -0.168 0.000 2.103 431 R HA -0.168 4.195 4.340 0.038 0.000 0.242 431 R C 2.176 178.413 176.300 -0.105 0.000 1.142 431 R CA 1.754 57.735 56.100 -0.199 0.000 0.960 431 R CB -0.227 29.845 30.300 -0.381 0.000 0.858 431 R HN 0.239 nan 8.270 nan 0.000 0.439 432 A N 0.541 123.310 122.820 -0.086 0.000 1.841 432 A HA -0.181 4.162 4.320 0.038 0.000 0.214 432 A C 1.921 179.502 177.584 -0.005 0.000 1.195 432 A CA 1.592 53.605 52.037 -0.040 0.000 0.611 432 A CB -0.609 18.370 19.000 -0.035 0.000 0.835 432 A HN 0.444 nan 8.150 nan 0.000 0.443 433 E N -0.383 119.815 120.200 -0.004 0.000 2.169 433 E HA -0.231 4.142 4.350 0.038 0.000 0.202 433 E C 1.806 178.441 176.600 0.058 0.000 1.016 433 E CA 1.576 57.992 56.400 0.026 0.000 0.817 433 E CB -0.331 29.371 29.700 0.004 0.000 0.736 433 E HN 0.722 nan 8.360 nan 0.000 0.462 434 I N 0.299 120.880 120.570 0.017 0.000 2.233 434 I HA -0.244 3.949 4.170 0.038 0.000 0.243 434 I C 2.508 178.694 176.117 0.114 0.000 1.093 434 I CA 0.738 62.066 61.300 0.047 0.000 1.380 434 I CB -0.376 37.617 38.000 -0.013 0.000 1.067 434 I HN 0.119 nan 8.210 nan 0.000 0.413 435 A N 1.203 124.056 122.820 0.055 0.000 1.869 435 A HA -0.311 4.031 4.320 0.038 0.000 0.218 435 A C 2.559 180.189 177.584 0.077 0.000 1.203 435 A CA 2.547 54.615 52.037 0.051 0.000 0.638 435 A CB -1.222 17.786 19.000 0.014 0.000 0.831 435 A HN 0.444 nan 8.150 nan 0.000 0.450 436 A N -1.545 121.319 122.820 0.074 0.000 1.863 436 A HA -0.306 4.036 4.320 0.038 0.000 0.218 436 A C 2.005 179.658 177.584 0.114 0.000 1.233 436 A CA 2.168 54.250 52.037 0.075 0.000 0.655 436 A CB -1.542 17.505 19.000 0.078 0.000 0.839 436 A HN 0.971 nan 8.150 nan 0.000 0.454 437 W N 1.166 122.454 121.300 -0.021 0.000 2.290 437 W HA -0.296 4.387 4.660 0.038 0.000 0.318 437 W C 2.083 178.589 176.519 -0.021 0.000 1.248 437 W CA 2.499 59.833 57.345 -0.018 0.000 1.263 437 W CB -0.306 29.144 29.460 -0.017 0.000 1.147 437 W HN 0.457 nan 8.180 nan 0.000 0.494 438 N N -0.003 118.874 118.700 0.295 0.000 2.069 438 N HA -0.226 4.536 4.740 0.038 0.000 0.191 438 N C 1.986 177.469 175.510 -0.045 0.000 1.031 438 N CA 2.450 55.581 53.050 0.135 0.000 0.852 438 N CB -1.357 37.215 38.487 0.141 0.000 1.018 438 N HN 0.325 nan 8.380 nan 0.000 0.423 439 S N -0.656 115.028 115.700 -0.026 0.000 2.440 439 S HA -0.078 4.414 4.470 0.038 0.000 0.238 439 S C 1.547 176.085 174.600 -0.103 0.000 1.010 439 S CA 1.342 59.510 58.200 -0.054 0.000 0.972 439 S CB -0.624 62.558 63.200 -0.030 0.000 0.774 439 S HN 0.261 nan 8.310 nan 0.000 0.501 440 T N 1.260 115.715 114.554 -0.165 0.000 3.107 440 T HA 0.288 4.661 4.350 0.038 0.000 0.249 440 T C 0.065 174.584 174.700 -0.303 0.000 1.096 440 T CA -0.100 61.870 62.100 -0.217 0.000 1.012 440 T CB -0.371 68.342 68.868 -0.258 0.000 0.977 440 T HN 0.481 nan 8.240 nan 0.000 0.527 441 N N 0.698 119.198 118.700 -0.333 0.000 2.240 441 N HA 0.448 5.211 4.740 0.038 0.000 0.302 441 N C 0.757 176.145 175.510 -0.204 0.000 1.106 441 N CA -0.866 51.969 53.050 -0.359 0.000 0.778 441 N CB 1.717 39.837 38.487 -0.612 0.000 1.431 441 N HN 0.075 nan 8.380 nan 0.000 0.479 442 R N -0.191 120.215 120.500 -0.157 0.000 2.487 442 R HA 0.260 4.623 4.340 0.038 0.000 0.272 442 R C -0.270 175.989 176.300 -0.069 0.000 0.928 442 R CA 0.175 56.218 56.100 -0.095 0.000 1.077 442 R CB 0.312 30.566 30.300 -0.078 0.000 1.265 442 R HN 0.423 nan 8.270 nan 0.000 0.537 443 T N 0.550 115.060 114.554 -0.072 0.000 2.969 443 T HA 0.391 4.763 4.350 0.038 0.000 0.250 443 T C 0.199 174.896 174.700 -0.005 0.000 1.021 443 T CA 0.103 62.182 62.100 -0.036 0.000 1.003 443 T CB 0.376 69.225 68.868 -0.033 0.000 1.040 443 T HN 0.003 nan 8.240 nan 0.000 0.492 444 L N 0.982 122.207 121.223 0.004 0.000 2.354 444 L HA 0.868 5.230 4.340 0.038 0.000 0.264 444 L C -1.005 175.978 176.870 0.188 0.000 1.008 444 L CA -1.231 53.679 54.840 0.116 0.000 0.819 444 L CB 2.023 44.234 42.059 0.255 0.000 1.339 444 L HN 0.022 nan 8.230 nan 0.000 0.420 445 A N 2.242 125.201 122.820 0.232 0.000 2.488 445 A HA 0.720 5.063 4.320 0.038 0.000 0.298 445 A C -1.022 176.677 177.584 0.192 0.000 1.044 445 A CA -0.701 51.492 52.037 0.259 0.000 0.693 445 A CB 1.832 20.892 19.000 0.100 0.000 1.272 445 A HN 0.731 nan 8.150 nan 0.000 0.402 446 R N 0.259 120.867 120.500 0.179 0.000 2.596 446 R HA 0.744 5.107 4.340 0.038 0.000 0.267 446 R C 0.144 176.441 176.300 -0.005 0.000 1.026 446 R CA -0.169 55.911 56.100 -0.033 0.000 1.087 446 R CB 1.978 32.128 30.300 -0.250 0.000 1.132 446 R HN 0.965 nan 8.270 nan 0.000 0.531 447 G N 0.477 109.257 108.800 -0.034 0.000 2.704 447 G HA2 0.615 4.598 3.960 0.038 0.000 0.293 447 G HA3 0.615 4.598 3.960 0.038 0.000 0.293 447 G C -1.678 173.223 174.900 0.002 0.000 1.421 447 G CA -0.454 44.638 45.100 -0.013 0.000 0.870 447 G HN 0.479 nan 8.290 nan 0.000 0.492 448 I N -0.076 120.521 120.570 0.045 0.000 2.827 448 I HA 0.766 4.959 4.170 0.038 0.000 0.298 448 I C -0.852 175.360 176.117 0.158 0.000 1.235 448 I CA -0.970 60.387 61.300 0.094 0.000 1.021 448 I CB 2.228 40.299 38.000 0.119 0.000 1.259 448 I HN 0.995 nan 8.210 nan 0.000 0.427 449 A N 5.746 128.665 122.820 0.166 0.000 2.593 449 A HA 0.808 5.151 4.320 0.038 0.000 0.290 449 A C -2.236 175.415 177.584 0.112 0.000 1.126 449 A CA -0.571 51.571 52.037 0.175 0.000 0.695 449 A CB 2.008 21.082 19.000 0.123 0.000 1.290 449 A HN 0.712 nan 8.150 nan 0.000 0.414 450 L N 1.069 122.342 121.223 0.083 0.000 2.381 450 L HA 0.828 5.191 4.340 0.038 0.000 0.274 450 L C -0.352 176.552 176.870 0.056 0.000 0.988 450 L CA 0.130 54.945 54.840 -0.042 0.000 0.824 450 L CB 2.060 44.010 42.059 -0.181 0.000 1.263 450 L HN 1.110 nan 8.230 nan 0.000 0.410 451 S N 5.285 121.024 115.700 0.066 0.000 2.548 451 S HA 0.861 5.354 4.470 0.038 0.000 0.286 451 S C -3.078 171.586 174.600 0.107 0.000 1.098 451 S CA -1.134 57.139 58.200 0.121 0.000 0.930 451 S CB 2.313 65.585 63.200 0.120 0.000 1.070 451 S HN 0.584 nan 8.310 nan 0.000 0.480 452 P HA 0.734 nan 4.420 nan 0.000 0.292 452 P C -1.354 175.967 177.300 0.036 0.000 1.304 452 P CA -0.905 62.218 63.100 0.039 0.000 0.848 452 P CB 1.590 33.283 31.700 -0.011 0.000 1.260 453 V N -0.075 119.841 119.914 0.002 0.000 2.817 453 V HA 0.422 4.565 4.120 0.038 0.000 0.303 453 V C -0.520 175.586 176.094 0.020 0.000 1.151 453 V CA -0.504 61.827 62.300 0.051 0.000 0.929 453 V CB 2.160 34.041 31.823 0.096 0.000 1.030 453 V HN 0.705 nan 8.190 nan 0.000 0.427 454 K N 4.808 125.213 120.400 0.008 0.000 2.507 454 K HA 0.705 5.048 4.320 0.038 0.000 0.252 454 K C -2.162 174.480 176.600 0.070 0.000 0.943 454 K CA -0.440 55.733 56.287 -0.189 0.000 0.808 454 K CB 1.910 34.283 32.500 -0.212 0.000 1.142 454 K HN 0.473 nan 8.250 nan 0.000 0.426 455 F N 2.282 122.152 119.950 -0.134 0.000 2.556 455 F HA 0.606 5.156 4.527 0.038 0.000 0.314 455 F C -0.079 175.573 175.800 -0.246 0.000 1.106 455 F CA -0.406 57.577 58.000 -0.028 0.000 0.911 455 F CB 2.086 41.010 39.000 -0.128 0.000 1.190 455 F HN 0.706 nan 8.300 nan 0.000 0.448 456 G N 5.435 113.737 108.800 -0.830 0.000 2.420 456 G HA2 0.533 4.516 3.960 0.038 0.000 0.284 456 G HA3 0.533 4.516 3.960 0.038 0.000 0.284 456 G C -1.289 172.743 174.900 -1.446 0.000 1.177 456 G CA -0.509 43.461 45.100 -1.883 0.000 0.841 456 G HN 0.445 nan 8.290 nan 0.000 0.527 457 I N 0.930 120.817 120.570 -1.139 0.000 2.362 457 I HA 0.618 4.811 4.170 0.038 0.000 0.289 457 I C 0.265 176.177 176.117 -0.343 0.000 0.994 457 I CA -0.375 60.521 61.300 -0.674 0.000 1.158 457 I CB 0.456 37.877 38.000 -0.965 0.000 1.315 457 I HN 0.524 nan 8.210 nan 0.000 0.451 458 S N 4.347 119.924 115.700 -0.206 0.000 2.791 458 S HA 0.126 4.619 4.470 0.038 0.000 0.261 458 S C -0.810 173.728 174.600 -0.104 0.000 0.684 458 S CA -0.910 57.233 58.200 -0.096 0.000 1.126 458 S CB -0.054 63.155 63.200 0.015 0.000 1.400 458 S HN 0.278 nan 8.310 nan 0.000 0.522 459 F N 2.233 122.141 119.950 -0.070 0.000 2.518 459 F HA 0.194 4.743 4.527 0.037 0.000 0.359 459 F C 2.268 178.031 175.800 -0.061 0.000 1.118 459 F CA 0.901 58.843 58.000 -0.096 0.000 1.287 459 F CB 0.791 39.715 39.000 -0.127 0.000 1.132 459 F HN 0.775 nan 8.300 nan 0.000 0.587 460 T N 0.334 114.972 114.554 0.141 0.000 3.055 460 T HA -0.000 4.372 4.350 0.038 0.000 0.265 460 T C 0.753 175.654 174.700 0.336 0.000 1.111 460 T CA 0.235 62.402 62.100 0.111 0.000 1.118 460 T CB 0.006 68.961 68.868 0.145 0.000 0.909 460 T HN 0.228 nan 8.240 nan 0.000 0.501 461 L N 3.626 125.000 121.223 0.252 0.000 2.356 461 L HA 0.338 4.701 4.340 0.038 0.000 0.282 461 L C 1.201 178.096 176.870 0.040 0.000 1.132 461 L CA 0.336 55.267 54.840 0.151 0.000 0.923 461 L CB -0.529 41.555 42.059 0.042 0.000 1.278 461 L HN 0.287 nan 8.230 nan 0.000 0.436 462 T N 2.477 117.128 114.554 0.161 0.000 2.653 462 T HA -0.239 4.134 4.350 0.038 0.000 0.268 462 T C 1.625 176.353 174.700 0.048 0.000 1.035 462 T CA 2.166 64.343 62.100 0.128 0.000 1.154 462 T CB -0.346 68.636 68.868 0.189 0.000 0.862 462 T HN 0.705 nan 8.240 nan 0.000 0.441 463 H N 1.352 120.442 119.070 0.034 0.000 2.567 463 H HA 0.120 4.698 4.556 0.037 0.000 0.276 463 H C 1.760 177.058 175.328 -0.050 0.000 1.016 463 H CA 0.473 56.525 56.048 0.007 0.000 1.186 463 H CB -0.827 28.942 29.762 0.011 0.000 1.351 463 H HN 0.363 nan 8.280 nan 0.000 0.605 464 L N 0.826 121.732 121.223 -0.528 0.000 2.552 464 L HA -0.023 4.340 4.340 0.038 0.000 0.227 464 L C 0.520 177.176 176.870 -0.357 0.000 1.146 464 L CA 0.216 54.701 54.840 -0.593 0.000 0.858 464 L CB -0.287 41.036 42.059 -1.226 0.000 0.969 464 L HN 0.196 nan 8.230 nan 0.000 0.451 465 N N 2.694 121.348 118.700 -0.076 0.000 3.245 465 N HA 0.078 4.840 4.740 0.038 0.000 0.296 465 N C -0.421 175.102 175.510 0.022 0.000 1.254 465 N CA 0.086 53.188 53.050 0.086 0.000 1.190 465 N CB 0.326 38.909 38.487 0.160 0.000 1.460 465 N HN 0.533 nan 8.380 nan 0.000 0.538 466 Q N -0.468 119.321 119.800 -0.019 0.000 2.456 466 Q HA 0.862 5.225 4.340 0.038 0.000 0.283 466 Q C -1.606 174.339 176.000 -0.091 0.000 1.084 466 Q CA -1.269 54.470 55.803 -0.107 0.000 0.801 466 Q CB 2.336 31.074 28.738 0.001 0.000 1.434 466 Q HN 0.147 nan 8.270 nan 0.000 0.419 467 A N 0.415 123.094 122.820 -0.235 0.000 2.587 467 A HA 0.929 5.272 4.320 0.038 0.000 0.293 467 A C -0.938 176.610 177.584 -0.061 0.000 1.087 467 A CA -0.210 51.792 52.037 -0.058 0.000 0.692 467 A CB 1.958 20.958 19.000 -0.001 0.000 1.291 467 A HN 0.888 nan 8.150 nan 0.000 0.407 468 G N -0.859 108.022 108.800 0.134 0.000 2.533 468 G HA2 0.881 4.863 3.960 0.038 0.000 0.304 468 G HA3 0.881 4.863 3.960 0.038 0.000 0.304 468 G C -0.596 174.405 174.900 0.168 0.000 1.263 468 G CA -0.017 45.218 45.100 0.226 0.000 0.964 468 G HN 1.925 nan 8.290 nan 0.000 0.479 469 A N -0.322 122.592 122.820 0.156 0.000 2.556 469 A HA 0.824 5.167 4.320 0.038 0.000 0.294 469 A C -1.751 175.892 177.584 0.097 0.000 1.091 469 A CA -0.622 51.497 52.037 0.136 0.000 0.704 469 A CB 2.083 21.159 19.000 0.128 0.000 1.300 469 A HN 1.686 nan 8.150 nan 0.000 0.406 470 L N 1.085 122.351 121.223 0.071 0.000 2.410 470 L HA 0.820 5.183 4.340 0.038 0.000 0.270 470 L C -1.572 175.309 176.870 0.019 0.000 0.983 470 L CA -0.365 54.498 54.840 0.038 0.000 0.822 470 L CB 2.151 44.226 42.059 0.027 0.000 1.285 470 L HN 0.530 nan 8.230 nan 0.000 0.409 471 V N 4.203 124.115 119.914 -0.003 0.000 2.680 471 V HA 0.659 4.801 4.120 0.038 0.000 0.309 471 V C -0.880 175.165 176.094 -0.082 0.000 1.052 471 V CA -0.581 61.702 62.300 -0.028 0.000 0.908 471 V CB 1.868 33.680 31.823 -0.018 0.000 1.001 471 V HN 0.785 nan 8.190 nan 0.000 0.431 472 Q N 4.248 123.962 119.800 -0.143 0.000 2.356 472 Q HA 0.643 5.005 4.340 0.038 0.000 0.270 472 Q C -1.253 174.518 176.000 -0.381 0.000 1.058 472 Q CA -0.510 55.116 55.803 -0.295 0.000 0.802 472 Q CB 3.157 31.614 28.738 -0.468 0.000 1.303 472 Q HN 0.658 nan 8.270 nan 0.000 0.444 473 I N 2.603 122.958 120.570 -0.358 0.000 2.382 473 I HA 0.326 4.519 4.170 0.038 0.000 0.286 473 I C -0.646 175.270 176.117 -0.335 0.000 1.002 473 I CA -0.811 60.333 61.300 -0.261 0.000 1.135 473 I CB 0.784 38.723 38.000 -0.101 0.000 1.288 473 I HN 0.497 nan 8.210 nan 0.000 0.448 474 Y N 2.874 123.153 120.300 -0.034 0.000 2.326 474 Y HA 0.074 4.646 4.550 0.037 0.000 0.324 474 Y C 2.047 177.880 175.900 -0.113 0.000 1.291 474 Y CA -0.417 57.634 58.100 -0.081 0.000 1.348 474 Y CB 0.838 39.258 38.460 -0.067 0.000 1.294 474 Y HN 0.635 nan 8.280 nan 0.000 0.525 475 T N -3.256 111.289 114.554 -0.016 0.000 3.025 475 T HA -0.180 4.193 4.350 0.038 0.000 0.270 475 T C 0.694 175.375 174.700 -0.032 0.000 1.126 475 T CA 1.284 63.318 62.100 -0.110 0.000 1.105 475 T CB -0.372 68.338 68.868 -0.262 0.000 0.884 475 T HN 0.743 nan 8.240 nan 0.000 0.522 476 D N 0.434 120.846 120.400 0.021 0.000 2.342 476 D HA 0.252 4.914 4.640 0.038 0.000 0.221 476 D C 1.573 177.918 176.300 0.075 0.000 1.101 476 D CA 0.262 54.283 54.000 0.034 0.000 0.837 476 D CB -0.584 40.230 40.800 0.023 0.000 0.938 476 D HN 0.505 nan 8.370 nan 0.000 0.508 477 G N 0.367 109.214 108.800 0.079 0.000 2.205 477 G HA2 -0.316 3.667 3.960 0.038 0.000 0.261 477 G HA3 -0.316 3.667 3.960 0.038 0.000 0.261 477 G C 0.517 175.553 174.900 0.227 0.000 0.980 477 G CA 0.531 45.721 45.100 0.150 0.000 0.632 477 G HN 0.721 nan 8.290 nan 0.000 0.533 478 S N -0.913 114.898 115.700 0.185 0.000 2.655 478 S HA 0.799 5.292 4.470 0.038 0.000 0.265 478 S C 0.001 174.718 174.600 0.196 0.000 1.240 478 S CA -0.128 58.178 58.200 0.176 0.000 0.986 478 S CB 2.638 65.926 63.200 0.147 0.000 0.985 478 S HN 1.113 nan 8.310 nan 0.000 0.562 479 V N -0.166 119.837 119.914 0.148 0.000 2.925 479 V HA 0.806 4.949 4.120 0.038 0.000 0.311 479 V C -0.404 175.744 176.094 0.089 0.000 1.104 479 V CA -0.837 61.515 62.300 0.087 0.000 0.954 479 V CB 1.782 33.635 31.823 0.048 0.000 1.022 479 V HN 1.222 nan 8.190 nan 0.000 0.427 480 A N 3.564 126.412 122.820 0.047 0.000 2.311 480 A HA 0.822 5.165 4.320 0.038 0.000 0.306 480 A C -1.277 176.312 177.584 0.009 0.000 1.189 480 A CA -0.431 51.645 52.037 0.065 0.000 0.791 480 A CB 1.100 20.190 19.000 0.150 0.000 1.172 480 A HN 0.729 nan 8.150 nan 0.000 0.481 481 L N 2.529 123.757 121.223 0.009 0.000 2.322 481 L HA 0.617 4.980 4.340 0.038 0.000 0.279 481 L C -0.377 176.506 176.870 0.022 0.000 1.036 481 L CA -0.329 54.522 54.840 0.019 0.000 0.807 481 L CB 1.266 43.341 42.059 0.026 0.000 1.226 481 L HN 0.780 nan 8.230 nan 0.000 0.433 482 N N 2.077 120.807 118.700 0.051 0.000 2.324 482 N HA 0.420 5.182 4.740 0.038 0.000 0.285 482 N C -1.669 173.890 175.510 0.082 0.000 1.076 482 N CA -0.299 52.759 53.050 0.014 0.000 0.864 482 N CB 1.613 40.092 38.487 -0.014 0.000 1.632 482 N HN 0.944 nan 8.380 nan 0.000 0.478 483 H N -0.953 118.135 119.070 0.029 0.000 2.966 483 H HA 0.479 5.061 4.556 0.042 0.000 0.330 483 H C 0.760 176.126 175.328 0.063 0.000 1.292 483 H CA -0.705 55.372 56.048 0.048 0.000 1.127 483 H CB 0.629 30.420 29.762 0.048 0.000 1.863 483 H HN 0.390 nan 8.280 nan 0.000 0.543 484 G N -0.521 108.327 108.800 0.080 0.000 2.744 484 G HA2 0.204 4.187 3.960 0.038 0.000 0.211 484 G HA3 0.204 4.187 3.960 0.038 0.000 0.211 484 G C 0.677 175.600 174.900 0.038 0.000 1.143 484 G CA 0.170 45.294 45.100 0.041 0.000 0.788 484 G HN 0.851 nan 8.290 nan 0.000 0.534 485 G N -0.358 108.531 108.800 0.149 0.000 2.621 485 G HA2 0.470 4.452 3.960 0.038 0.000 0.271 485 G HA3 0.470 4.452 3.960 0.038 0.000 0.271 485 G C -0.165 174.739 174.900 0.007 0.000 1.236 485 G CA 0.350 45.541 45.100 0.151 0.000 0.958 485 G HN 0.417 nan 8.290 nan 0.000 0.512 486 T N -2.133 112.406 114.554 -0.025 0.000 2.893 486 T HA 0.532 4.905 4.350 0.038 0.000 0.293 486 T C -0.806 173.800 174.700 -0.157 0.000 1.027 486 T CA -0.800 61.259 62.100 -0.069 0.000 0.988 486 T CB 2.328 71.168 68.868 -0.047 0.000 1.043 486 T HN 0.516 nan 8.240 nan 0.000 0.461 487 E N 2.917 122.989 120.200 -0.213 0.000 2.130 487 E HA 0.419 4.792 4.350 0.038 0.000 0.284 487 E C 0.444 176.998 176.600 -0.077 0.000 1.018 487 E CA -0.722 55.534 56.400 -0.240 0.000 0.817 487 E CB 0.665 30.192 29.700 -0.288 0.000 1.078 487 E HN 0.771 nan 8.360 nan 0.000 0.396 488 M N 2.696 122.245 119.600 -0.086 0.000 2.589 488 M HA 0.494 4.996 4.480 0.038 0.000 0.344 488 M C 0.688 176.946 176.300 -0.070 0.000 1.168 488 M CA 0.118 55.359 55.300 -0.099 0.000 0.956 488 M CB 0.563 33.041 32.600 -0.204 0.000 1.370 488 M HN 0.615 nan 8.290 nan 0.000 0.518 489 G N 1.773 110.609 108.800 0.060 0.000 2.192 489 G HA2 -0.222 3.761 3.960 0.038 0.000 0.193 489 G HA3 -0.222 3.761 3.960 0.038 0.000 0.193 489 G C 0.521 175.516 174.900 0.159 0.000 0.999 489 G CA 0.297 45.471 45.100 0.124 0.000 0.659 489 G HN 0.652 nan 8.290 nan 0.000 0.503 490 Q N 0.992 120.838 119.800 0.077 0.000 2.222 490 Q HA 0.403 4.765 4.340 0.038 0.000 0.206 490 Q C 1.437 177.460 176.000 0.039 0.000 0.877 490 Q CA 0.772 56.603 55.803 0.046 0.000 0.958 490 Q CB 0.079 28.801 28.738 -0.026 0.000 1.075 490 Q HN 1.755 nan 8.270 nan 0.000 0.483 491 G N 1.636 110.470 108.800 0.056 0.000 2.148 491 G HA2 -0.327 3.656 3.960 0.038 0.000 0.254 491 G HA3 -0.327 3.656 3.960 0.038 0.000 0.254 491 G C 0.486 175.286 174.900 -0.166 0.000 0.981 491 G CA 0.418 45.452 45.100 -0.110 0.000 0.670 491 G HN 0.398 nan 8.290 nan 0.000 0.528 492 L N 0.967 122.087 121.223 -0.173 0.000 1.943 492 L HA 0.005 4.368 4.340 0.038 0.000 0.215 492 L C 2.593 179.374 176.870 -0.148 0.000 1.074 492 L CA 3.042 57.777 54.840 -0.174 0.000 0.759 492 L CB -1.274 40.660 42.059 -0.208 0.000 0.888 492 L HN 0.419 nan 8.230 nan 0.000 0.433 493 H N 0.190 119.228 119.070 -0.053 0.000 2.368 493 H HA -0.198 4.381 4.556 0.038 0.000 0.292 493 H C 2.123 177.376 175.328 -0.125 0.000 1.117 493 H CA 1.803 57.827 56.048 -0.040 0.000 1.231 493 H CB -0.962 28.786 29.762 -0.024 0.000 1.359 493 H HN 0.527 nan 8.280 nan 0.000 0.490 494 A N 1.399 124.166 122.820 -0.087 0.000 1.933 494 A HA -0.187 4.155 4.320 0.038 0.000 0.218 494 A C 2.372 179.903 177.584 -0.089 0.000 1.175 494 A CA 1.741 53.718 52.037 -0.101 0.000 0.628 494 A CB -0.278 18.636 19.000 -0.143 0.000 0.814 494 A HN 0.431 nan 8.150 nan 0.000 0.444 495 K N -0.868 119.471 120.400 -0.100 0.000 2.057 495 K HA -0.104 4.239 4.320 0.038 0.000 0.207 495 K C 2.015 178.548 176.600 -0.113 0.000 1.049 495 K CA 1.484 57.709 56.287 -0.104 0.000 0.931 495 K CB -0.332 32.108 32.500 -0.099 0.000 0.714 495 K HN 0.353 nan 8.250 nan 0.000 0.440 496 M N 0.833 120.356 119.600 -0.128 0.000 2.117 496 M HA -0.119 4.384 4.480 0.038 0.000 0.262 496 M C 2.392 178.638 176.300 -0.090 0.000 1.065 496 M CA 1.214 56.418 55.300 -0.160 0.000 1.114 496 M CB -0.981 31.418 32.600 -0.336 0.000 1.361 496 M HN -0.066 nan 8.290 nan 0.000 0.408 497 V N 0.628 120.507 119.914 -0.057 0.000 2.252 497 V HA -0.338 3.805 4.120 0.038 0.000 0.249 497 V C 2.490 178.536 176.094 -0.079 0.000 1.056 497 V CA 2.022 64.289 62.300 -0.055 0.000 1.022 497 V CB -0.805 30.988 31.823 -0.050 0.000 0.641 497 V HN 0.509 nan 8.190 nan 0.000 0.445 498 Q N -0.816 118.925 119.800 -0.098 0.000 2.045 498 Q HA -0.214 4.148 4.340 0.038 0.000 0.206 498 Q C 2.263 178.167 176.000 -0.160 0.000 0.991 498 Q CA 2.347 58.072 55.803 -0.128 0.000 0.851 498 Q CB -0.396 28.259 28.738 -0.140 0.000 0.911 498 Q HN 0.569 nan 8.270 nan 0.000 0.418 499 V N 0.697 120.522 119.914 -0.148 0.000 2.332 499 V HA -0.320 3.823 4.120 0.038 0.000 0.248 499 V C 2.184 178.239 176.094 -0.066 0.000 1.055 499 V CA 1.890 64.118 62.300 -0.121 0.000 1.038 499 V CB -1.035 30.777 31.823 -0.018 0.000 0.651 499 V HN 0.451 nan 8.190 nan 0.000 0.450 500 A N -0.134 122.648 122.820 -0.063 0.000 1.930 500 A HA -0.018 4.325 4.320 0.038 0.000 0.217 500 A C 2.393 179.935 177.584 -0.070 0.000 1.175 500 A CA 1.792 53.801 52.037 -0.047 0.000 0.627 500 A CB -0.698 18.280 19.000 -0.038 0.000 0.815 500 A HN 0.571 nan 8.150 nan 0.000 0.443 501 A N -0.277 122.488 122.820 -0.091 0.000 2.015 501 A HA 0.229 4.572 4.320 0.038 0.000 0.219 501 A C 2.384 179.899 177.584 -0.115 0.000 1.163 501 A CA 1.796 53.766 52.037 -0.110 0.000 0.646 501 A CB -0.723 18.213 19.000 -0.107 0.000 0.806 501 A HN 0.924 nan 8.150 nan 0.000 0.448 502 A N -0.498 122.248 122.820 -0.123 0.000 1.897 502 A HA 0.073 4.415 4.320 0.038 0.000 0.215 502 A C 2.156 179.718 177.584 -0.038 0.000 1.181 502 A CA 1.617 53.580 52.037 -0.123 0.000 0.620 502 A CB -0.756 18.090 19.000 -0.257 0.000 0.821 502 A HN 0.389 nan 8.150 nan 0.000 0.443 503 V N 0.101 120.018 119.914 0.005 0.000 2.453 503 V HA -0.169 3.973 4.120 0.038 0.000 0.247 503 V C 2.324 178.382 176.094 -0.060 0.000 1.048 503 V CA 1.608 63.931 62.300 0.037 0.000 1.049 503 V CB -0.780 31.080 31.823 0.061 0.000 0.672 503 V HN 0.528 nan 8.190 nan 0.000 0.457 504 L N 0.542 121.701 121.223 -0.107 0.000 2.478 504 L HA 0.265 4.628 4.340 0.038 0.000 0.223 504 L C 1.723 178.469 176.870 -0.207 0.000 1.140 504 L CA 0.908 55.632 54.840 -0.195 0.000 0.842 504 L CB -0.564 41.390 42.059 -0.175 0.000 0.953 504 L HN 0.569 nan 8.230 nan 0.000 0.452 505 G N 1.349 110.079 108.800 -0.118 0.000 2.149 505 G HA2 -0.250 3.732 3.960 0.038 0.000 0.235 505 G HA3 -0.250 3.732 3.960 0.038 0.000 0.235 505 G C 0.139 174.956 174.900 -0.138 0.000 1.018 505 G CA 0.461 45.537 45.100 -0.040 0.000 0.728 505 G HN 0.448 nan 8.290 nan 0.000 0.508 506 I N -3.771 116.656 120.570 -0.238 0.000 3.294 506 I HA 0.824 5.017 4.170 0.038 0.000 0.311 506 I C -0.554 175.469 176.117 -0.157 0.000 1.111 506 I CA -1.458 59.679 61.300 -0.270 0.000 0.976 506 I CB 1.857 39.566 38.000 -0.485 0.000 1.260 506 I HN -0.045 nan 8.210 nan 0.000 0.474 507 D N 2.186 122.517 120.400 -0.115 0.000 2.304 507 D HA 0.304 4.967 4.640 0.038 0.000 0.250 507 D C -1.878 174.378 176.300 -0.073 0.000 1.107 507 D CA -2.211 51.744 54.000 -0.075 0.000 0.885 507 D CB 1.770 42.543 40.800 -0.045 0.000 1.192 507 D HN 0.259 nan 8.370 nan 0.000 0.436 508 P HA -0.185 nan 4.420 nan 0.000 0.218 508 P C 1.502 178.777 177.300 -0.042 0.000 1.150 508 P CA 0.677 63.741 63.100 -0.060 0.000 0.841 508 P CB 0.272 31.938 31.700 -0.058 0.000 0.784 509 V N -0.243 119.651 119.914 -0.033 0.000 2.688 509 V HA -0.220 3.923 4.120 0.038 0.000 0.256 509 V C 2.029 178.117 176.094 -0.009 0.000 1.084 509 V CA 1.621 63.909 62.300 -0.020 0.000 1.103 509 V CB -1.027 30.788 31.823 -0.014 0.000 0.688 509 V HN 0.243 nan 8.190 nan 0.000 0.480 510 Q N -0.576 119.217 119.800 -0.010 0.000 2.415 510 Q HA 0.152 4.515 4.340 0.038 0.000 0.206 510 Q C 0.079 176.087 176.000 0.014 0.000 0.946 510 Q CA 0.261 56.072 55.803 0.013 0.000 0.951 510 Q CB 0.507 29.254 28.738 0.015 0.000 1.026 510 Q HN 0.462 nan 8.270 nan 0.000 0.510 511 V N 1.421 121.331 119.914 -0.007 0.000 2.448 511 V HA 0.354 4.496 4.120 0.038 0.000 0.295 511 V C -0.267 175.823 176.094 -0.006 0.000 1.025 511 V CA -0.854 61.444 62.300 -0.005 0.000 0.859 511 V CB 2.064 33.872 31.823 -0.026 0.000 0.988 511 V HN 0.047 nan 8.190 nan 0.000 0.431 512 R N 4.108 124.611 120.500 0.005 0.000 2.460 512 R HA 0.654 5.017 4.340 0.038 0.000 0.303 512 R C -0.884 175.394 176.300 -0.037 0.000 0.968 512 R CA -0.385 55.708 56.100 -0.012 0.000 0.889 512 R CB 1.470 31.774 30.300 0.005 0.000 1.123 512 R HN 0.711 nan 8.270 nan 0.000 0.455 513 I N 2.836 123.357 120.570 -0.082 0.000 2.577 513 I HA 0.448 4.640 4.170 0.038 0.000 0.300 513 I C -0.323 175.693 176.117 -0.168 0.000 0.990 513 I CA 0.086 61.293 61.300 -0.156 0.000 1.283 513 I CB 1.553 39.370 38.000 -0.305 0.000 1.411 513 I HN 0.936 nan 8.210 nan 0.000 0.515 514 T N 3.748 118.195 114.554 -0.177 0.000 2.927 514 T HA 0.847 5.220 4.350 0.038 0.000 0.286 514 T C -0.138 174.463 174.700 -0.164 0.000 1.040 514 T CA -0.698 61.325 62.100 -0.129 0.000 1.010 514 T CB 1.223 70.049 68.868 -0.069 0.000 1.177 514 T HN 0.793 nan 8.240 nan 0.000 0.546 515 A N 0.718 123.480 122.820 -0.097 0.000 2.304 515 A HA 0.600 4.943 4.320 0.038 0.000 0.271 515 A C 0.613 178.147 177.584 -0.084 0.000 1.091 515 A CA -0.657 51.332 52.037 -0.080 0.000 0.812 515 A CB -0.362 18.618 19.000 -0.034 0.000 1.056 515 A HN 0.860 nan 8.150 nan 0.000 0.489 516 T N 1.823 116.337 114.554 -0.066 0.000 2.888 516 T HA 0.360 4.733 4.350 0.038 0.000 0.301 516 T C -0.507 174.155 174.700 -0.063 0.000 1.001 516 T CA 0.588 62.640 62.100 -0.081 0.000 1.147 516 T CB 0.128 68.963 68.868 -0.056 0.000 0.931 516 T HN 0.609 nan 8.240 nan 0.000 0.541 517 D N 2.010 122.374 120.400 -0.061 0.000 2.470 517 D HA 0.088 4.751 4.640 0.038 0.000 0.233 517 D C 1.214 177.490 176.300 -0.040 0.000 1.372 517 D CA -0.480 53.486 54.000 -0.056 0.000 0.994 517 D CB 1.162 41.931 40.800 -0.052 0.000 1.377 517 D HN 0.518 nan 8.370 nan 0.000 0.586 518 T N -0.018 114.511 114.554 -0.043 0.000 3.052 518 T HA -0.161 4.212 4.350 0.038 0.000 0.270 518 T C 1.391 176.083 174.700 -0.014 0.000 1.147 518 T CA 1.507 63.593 62.100 -0.024 0.000 1.089 518 T CB -0.230 68.614 68.868 -0.040 0.000 0.875 518 T HN 0.233 nan 8.240 nan 0.000 0.541 519 S N -0.658 115.028 115.700 -0.023 0.000 2.575 519 S HA 0.305 4.798 4.470 0.038 0.000 0.215 519 S C 1.634 176.232 174.600 -0.003 0.000 0.966 519 S CA -0.371 57.823 58.200 -0.010 0.000 0.911 519 S CB 0.055 63.243 63.200 -0.019 0.000 0.780 519 S HN 0.548 nan 8.310 nan 0.000 0.514 520 K N 0.328 120.725 120.400 -0.005 0.000 2.273 520 K HA 0.344 4.686 4.320 0.038 0.000 0.206 520 K C -0.439 176.171 176.600 0.015 0.000 1.072 520 K CA 0.404 56.692 56.287 0.001 0.000 0.953 520 K CB 0.619 33.113 32.500 -0.010 0.000 1.043 520 K HN 0.146 nan 8.250 nan 0.000 0.477 521 V N 4.287 124.212 119.914 0.018 0.000 2.409 521 V HA 0.325 4.467 4.120 0.038 0.000 0.291 521 V C -2.490 173.635 176.094 0.052 0.000 1.020 521 V CA -1.848 60.481 62.300 0.048 0.000 0.848 521 V CB 1.487 33.349 31.823 0.065 0.000 0.990 521 V HN 0.172 nan 8.190 nan 0.000 0.430 522 P HA 0.443 nan 4.420 nan 0.000 0.287 522 P C -0.478 176.878 177.300 0.094 0.000 1.279 522 P CA -0.518 62.622 63.100 0.066 0.000 0.867 522 P CB 1.028 32.762 31.700 0.057 0.000 1.127 523 N N -1.734 117.021 118.700 0.092 0.000 2.754 523 N HA -0.099 4.664 4.740 0.038 0.000 0.248 523 N C 0.110 175.696 175.510 0.125 0.000 1.093 523 N CA 1.219 54.338 53.050 0.115 0.000 0.699 523 N CB -2.317 36.240 38.487 0.116 0.000 1.016 523 N HN 0.707 nan 8.380 nan 0.000 0.552 524 T N -3.197 111.424 114.554 0.112 0.000 2.828 524 T HA 0.504 4.877 4.350 0.038 0.000 0.290 524 T C 0.815 175.568 174.700 0.089 0.000 1.019 524 T CA -0.352 61.808 62.100 0.100 0.000 1.031 524 T CB 1.726 70.646 68.868 0.088 0.000 1.001 524 T HN 0.087 nan 8.240 nan 0.000 0.531 525 S N 0.376 116.055 115.700 -0.036 0.000 2.693 525 S HA 0.665 5.158 4.470 0.038 0.000 0.276 525 S C 0.590 174.956 174.600 -0.390 0.000 1.192 525 S CA -0.609 57.439 58.200 -0.253 0.000 0.994 525 S CB 0.713 63.637 63.200 -0.460 0.000 1.012 525 S HN 1.119 nan 8.310 nan 0.000 0.550 526 A N 1.081 123.361 122.820 -0.900 0.000 2.406 526 A HA 0.407 4.749 4.320 0.038 0.000 0.243 526 A C 0.269 177.755 177.584 -0.164 0.000 1.082 526 A CA -0.224 51.358 52.037 -0.758 0.000 0.786 526 A CB -0.236 18.302 19.000 -0.770 0.000 1.029 526 A HN 0.661 nan 8.150 nan 0.000 0.495 527 T N 1.761 116.268 114.554 -0.080 0.000 2.855 527 T HA 0.531 4.904 4.350 0.038 0.000 0.290 527 T C 0.188 174.868 174.700 -0.033 0.000 0.941 527 T CA 0.943 63.033 62.100 -0.017 0.000 1.030 527 T CB -0.528 68.317 68.868 -0.039 0.000 0.935 527 T HN 1.331 nan 8.240 nan 0.000 0.564 528 A N 2.224 125.039 122.820 -0.009 0.000 2.511 528 A HA 0.823 5.166 4.320 0.038 0.000 0.293 528 A C 0.286 177.568 177.584 -0.504 0.000 1.098 528 A CA -0.319 51.615 52.037 -0.170 0.000 0.643 528 A CB 0.065 18.997 19.000 -0.113 0.000 1.302 528 A HN 1.630 nan 8.150 nan 0.000 0.446 529 A N -0.580 121.898 122.820 -0.571 0.000 2.905 529 A HA 0.174 4.517 4.320 0.038 0.000 0.260 529 A C 1.103 178.436 177.584 -0.418 0.000 1.398 529 A CA 1.560 53.180 52.037 -0.695 0.000 0.840 529 A CB -2.646 15.483 19.000 -1.452 0.000 1.059 529 A HN 2.599 nan 8.150 nan 0.000 0.647 530 S N -2.542 112.990 115.700 -0.281 0.000 3.473 530 S HA -0.295 4.197 4.470 0.038 0.000 0.339 530 S C 0.978 175.481 174.600 -0.162 0.000 1.148 530 S CA 1.812 59.901 58.200 -0.186 0.000 0.969 530 S CB -2.505 60.594 63.200 -0.168 0.000 0.936 530 S HN 2.512 nan 8.310 nan 0.000 0.530 531 S N -0.516 115.061 115.700 -0.204 0.000 2.540 531 S HA 0.433 4.926 4.470 0.038 0.000 0.218 531 S C 1.920 176.500 174.600 -0.032 0.000 0.977 531 S CA 0.378 58.511 58.200 -0.112 0.000 0.918 531 S CB 0.119 63.235 63.200 -0.140 0.000 0.806 531 S HN 0.793 nan 8.310 nan 0.000 0.496 532 G N 2.607 111.379 108.800 -0.046 0.000 2.628 532 G HA2 -0.173 3.809 3.960 0.038 0.000 0.217 532 G HA3 -0.173 3.809 3.960 0.038 0.000 0.217 532 G C 1.629 176.502 174.900 -0.045 0.000 1.240 532 G CA 1.163 46.247 45.100 -0.026 0.000 0.792 532 G HN 0.782 nan 8.290 nan 0.000 0.593 533 A N 0.363 123.144 122.820 -0.065 0.000 1.897 533 A HA 0.046 4.389 4.320 0.038 0.000 0.215 533 A C 2.119 179.652 177.584 -0.086 0.000 1.181 533 A CA 2.078 54.064 52.037 -0.086 0.000 0.620 533 A CB -0.434 18.523 19.000 -0.072 0.000 0.821 533 A HN 0.310 nan 8.150 nan 0.000 0.443 534 D N -0.116 120.252 120.400 -0.054 0.000 2.087 534 D HA -0.172 4.490 4.640 0.038 0.000 0.192 534 D C 2.099 178.299 176.300 -0.167 0.000 0.993 534 D CA 1.875 55.836 54.000 -0.064 0.000 0.828 534 D CB -0.288 40.526 40.800 0.024 0.000 0.968 534 D HN 0.496 nan 8.370 nan 0.000 0.448 535 M N -0.158 119.376 119.600 -0.109 0.000 2.160 535 M HA -0.027 4.476 4.480 0.038 0.000 0.264 535 M C 1.836 178.018 176.300 -0.197 0.000 1.073 535 M CA 0.696 55.891 55.300 -0.174 0.000 1.142 535 M CB -0.192 32.436 32.600 0.046 0.000 1.358 535 M HN -0.037 nan 8.290 nan 0.000 0.422 536 N N 0.932 119.568 118.700 -0.107 0.000 2.120 536 N HA -0.114 4.648 4.740 0.038 0.000 0.188 536 N C 1.868 177.281 175.510 -0.161 0.000 1.024 536 N CA 1.738 54.730 53.050 -0.097 0.000 0.852 536 N CB -0.612 37.835 38.487 -0.067 0.000 1.003 536 N HN 0.447 nan 8.380 nan 0.000 0.424 537 G N 2.716 111.406 108.800 -0.184 0.000 2.631 537 G HA2 -0.295 3.688 3.960 0.038 0.000 0.219 537 G HA3 -0.295 3.688 3.960 0.038 0.000 0.219 537 G C 1.557 176.360 174.900 -0.161 0.000 1.214 537 G CA 1.181 46.192 45.100 -0.149 0.000 0.785 537 G HN 0.143 nan 8.290 nan 0.000 0.596 538 M N 1.121 120.538 119.600 -0.305 0.000 2.073 538 M HA -0.095 4.408 4.480 0.038 0.000 0.258 538 M C 3.079 179.281 176.300 -0.165 0.000 1.070 538 M CA 1.647 56.733 55.300 -0.356 0.000 1.103 538 M CB -1.597 30.453 32.600 -0.917 0.000 1.321 538 M HN 0.352 nan 8.290 nan 0.000 0.405 539 A N -0.053 122.691 122.820 -0.127 0.000 1.883 539 A HA -0.103 4.240 4.320 0.038 0.000 0.217 539 A C 2.463 180.054 177.584 0.012 0.000 1.186 539 A CA 2.109 54.141 52.037 -0.007 0.000 0.624 539 A CB -1.071 17.938 19.000 0.015 0.000 0.822 539 A HN 0.324 nan 8.150 nan 0.000 0.444 540 V N 0.467 120.372 119.914 -0.015 0.000 2.343 540 V HA -0.290 3.852 4.120 0.038 0.000 0.247 540 V C 2.544 178.639 176.094 0.002 0.000 1.051 540 V CA 2.416 64.716 62.300 -0.001 0.000 1.036 540 V CB -0.756 31.048 31.823 -0.033 0.000 0.654 540 V HN 0.761 nan 8.190 nan 0.000 0.451 541 K N 0.491 120.886 120.400 -0.008 0.000 2.103 541 K HA -0.291 4.051 4.320 0.038 0.000 0.207 541 K C 1.879 178.480 176.600 0.003 0.000 1.048 541 K CA 2.162 58.453 56.287 0.007 0.000 0.930 541 K CB -0.336 32.154 32.500 -0.018 0.000 0.716 541 K HN 0.530 nan 8.250 nan 0.000 0.444 542 D N 0.060 120.467 120.400 0.011 0.000 2.117 542 D HA -0.121 4.541 4.640 0.038 0.000 0.197 542 D C 1.687 178.007 176.300 0.033 0.000 0.987 542 D CA 1.515 55.536 54.000 0.035 0.000 0.829 542 D CB -0.047 40.799 40.800 0.077 0.000 0.961 542 D HN 0.346 nan 8.370 nan 0.000 0.460 543 A N -0.319 122.521 122.820 0.033 0.000 1.855 543 A HA -0.121 4.222 4.320 0.038 0.000 0.215 543 A C 2.647 180.232 177.584 0.002 0.000 1.191 543 A CA 1.398 53.450 52.037 0.024 0.000 0.613 543 A CB -1.074 17.942 19.000 0.027 0.000 0.829 543 A HN 0.481 nan 8.150 nan 0.000 0.442 544 C N -0.405 118.892 119.300 -0.004 0.000 2.413 544 C HA -0.125 4.358 4.460 0.038 0.000 0.277 544 C C 2.652 177.620 174.990 -0.038 0.000 1.265 544 C CA 1.273 60.278 59.018 -0.023 0.000 1.752 544 C CB -1.391 26.337 27.740 -0.020 0.000 1.998 544 C HN 0.674 nan 8.230 nan 0.000 0.489 545 E N 0.114 120.301 120.200 -0.022 0.000 2.051 545 E HA -0.183 4.190 4.350 0.038 0.000 0.192 545 E C 2.159 178.745 176.600 -0.023 0.000 0.991 545 E CA 1.820 58.205 56.400 -0.026 0.000 0.799 545 E CB -0.308 29.385 29.700 -0.011 0.000 0.748 545 E HN 0.610 nan 8.360 nan 0.000 0.449 546 T N 1.723 116.272 114.554 -0.008 0.000 2.635 546 T HA -0.182 4.191 4.350 0.038 0.000 0.267 546 T C 1.988 176.676 174.700 -0.020 0.000 1.040 546 T CA 1.061 63.158 62.100 -0.005 0.000 1.156 546 T CB -0.321 68.549 68.868 0.003 0.000 0.863 546 T HN 0.064 nan 8.240 nan 0.000 0.430 547 L N 0.437 121.642 121.223 -0.031 0.000 1.970 547 L HA -0.120 4.243 4.340 0.038 0.000 0.212 547 L C 2.935 179.766 176.870 -0.066 0.000 1.071 547 L CA 1.501 56.316 54.840 -0.042 0.000 0.751 547 L CB -0.537 41.498 42.059 -0.040 0.000 0.889 547 L HN 0.139 nan 8.230 nan 0.000 0.432 548 R N 0.275 120.699 120.500 -0.126 0.000 2.133 548 R HA -0.208 4.155 4.340 0.038 0.000 0.247 548 R C 2.148 178.388 176.300 -0.101 0.000 1.151 548 R CA 1.751 57.694 56.100 -0.262 0.000 0.971 548 R CB -0.655 29.455 30.300 -0.317 0.000 0.866 548 R HN 0.500 nan 8.270 nan 0.000 0.447 549 G N 0.357 109.136 108.800 -0.035 0.000 2.442 549 G HA2 -0.260 3.723 3.960 0.038 0.000 0.219 549 G HA3 -0.260 3.723 3.960 0.038 0.000 0.219 549 G C 1.471 176.401 174.900 0.050 0.000 1.141 549 G CA 0.590 45.703 45.100 0.022 0.000 0.763 549 G HN 0.361 nan 8.290 nan 0.000 0.554 550 R N -0.416 120.102 120.500 0.029 0.000 2.153 550 R HA 0.223 4.585 4.340 0.038 0.000 0.218 550 R C 2.509 178.872 176.300 0.105 0.000 1.072 550 R CA 0.295 56.423 56.100 0.046 0.000 0.990 550 R CB -0.256 30.046 30.300 0.003 0.000 0.889 550 R HN 0.331 nan 8.270 nan 0.000 0.452 551 L N -0.033 121.262 121.223 0.120 0.000 2.109 551 L HA -0.054 4.309 4.340 0.038 0.000 0.207 551 L C 2.590 179.669 176.870 0.348 0.000 1.086 551 L CA 1.048 56.039 54.840 0.253 0.000 0.760 551 L CB -0.502 41.751 42.059 0.324 0.000 0.910 551 L HN 0.203 nan 8.230 nan 0.000 0.437 552 A N 0.471 123.485 122.820 0.324 0.000 1.897 552 A HA -0.050 4.293 4.320 0.038 0.000 0.215 552 A C 2.420 180.095 177.584 0.152 0.000 1.181 552 A CA 1.419 53.623 52.037 0.277 0.000 0.620 552 A CB -1.221 17.956 19.000 0.294 0.000 0.821 552 A HN 0.399 nan 8.150 nan 0.000 0.443 553 G N -0.654 108.230 108.800 0.139 0.000 2.505 553 G HA2 -0.313 3.670 3.960 0.038 0.000 0.220 553 G HA3 -0.313 3.670 3.960 0.038 0.000 0.220 553 G C 1.478 176.444 174.900 0.110 0.000 1.145 553 G CA 1.431 46.593 45.100 0.102 0.000 0.761 553 G HN 0.575 nan 8.290 nan 0.000 0.571 554 F N 1.217 121.165 119.950 -0.004 0.000 2.128 554 F HA 0.009 4.560 4.527 0.039 0.000 0.295 554 F C 2.618 178.380 175.800 -0.063 0.000 1.100 554 F CA 1.328 59.306 58.000 -0.036 0.000 1.260 554 F CB -0.542 38.429 39.000 -0.047 0.000 1.009 554 F HN -0.007 nan 8.300 nan 0.000 0.476 555 V N 1.014 120.750 119.914 -0.296 0.000 2.392 555 V HA -0.330 3.813 4.120 0.038 0.000 0.249 555 V C 2.770 178.664 176.094 -0.333 0.000 1.059 555 V CA 1.863 63.863 62.300 -0.499 0.000 1.051 555 V CB -1.599 30.038 31.823 -0.311 0.000 0.658 555 V HN 0.555 nan 8.190 nan 0.000 0.455 556 A N -0.105 122.618 122.820 -0.161 0.000 1.841 556 A HA -0.069 4.274 4.320 0.038 0.000 0.214 556 A C 2.459 179.976 177.584 -0.112 0.000 1.195 556 A CA 1.920 53.901 52.037 -0.093 0.000 0.611 556 A CB -0.971 18.012 19.000 -0.029 0.000 0.835 556 A HN 0.570 nan 8.150 nan 0.000 0.443 557 A N -0.459 122.296 122.820 -0.108 0.000 1.948 557 A HA -0.222 4.121 4.320 0.038 0.000 0.220 557 A C 2.298 179.799 177.584 -0.139 0.000 1.177 557 A CA 1.886 53.870 52.037 -0.088 0.000 0.636 557 A CB -0.544 18.427 19.000 -0.049 0.000 0.815 557 A HN 0.524 nan 8.150 nan 0.000 0.449 558 R N -0.121 120.216 120.500 -0.272 0.000 2.062 558 R HA -0.079 4.284 4.340 0.038 0.000 0.229 558 R C 0.425 176.626 176.300 -0.165 0.000 1.128 558 R CA 1.488 57.417 56.100 -0.285 0.000 0.960 558 R CB -0.169 29.789 30.300 -0.569 0.000 0.855 558 R HN 0.448 nan 8.270 nan 0.000 0.432 559 E N 0.452 120.559 120.200 -0.154 0.000 2.335 559 E HA 0.113 4.485 4.350 0.038 0.000 0.191 559 E C -0.132 176.451 176.600 -0.029 0.000 1.077 559 E CA 0.303 56.674 56.400 -0.047 0.000 1.010 559 E CB 0.196 29.910 29.700 0.023 0.000 1.141 559 E HN 0.532 nan 8.360 nan 0.000 0.452 560 G N 2.059 110.832 108.800 -0.045 0.000 2.438 560 G HA2 -0.238 3.744 3.960 0.038 0.000 0.191 560 G HA3 -0.238 3.744 3.960 0.038 0.000 0.191 560 G C 0.310 175.201 174.900 -0.015 0.000 0.240 560 G CA 0.554 45.638 45.100 -0.026 0.000 1.036 560 G HN 0.631 nan 8.290 nan 0.000 0.458 561 C N 0.306 119.597 119.300 -0.015 0.000 2.920 561 C HA 0.793 5.275 4.460 0.038 0.000 0.282 561 C C 0.171 175.160 174.990 -0.001 0.000 1.256 561 C CA -0.227 58.788 59.018 -0.004 0.000 1.193 561 C CB 0.509 28.250 27.740 0.001 0.000 1.326 561 C HN 2.721 nan 8.230 nan 0.000 0.429 562 A N 0.831 123.656 122.820 0.008 0.000 2.305 562 A HA 0.831 5.174 4.320 0.038 0.000 0.322 562 A C 1.230 178.830 177.584 0.027 0.000 1.187 562 A CA 0.640 52.686 52.037 0.016 0.000 0.825 562 A CB 1.100 20.111 19.000 0.018 0.000 1.164 562 A HN 2.632 nan 8.150 nan 0.000 0.498 563 A N 2.425 125.266 122.820 0.035 0.000 1.940 563 A HA -0.248 4.095 4.320 0.038 0.000 0.221 563 A C 2.036 179.667 177.584 0.078 0.000 1.190 563 A CA 2.114 54.187 52.037 0.061 0.000 0.647 563 A CB -0.516 18.523 19.000 0.066 0.000 0.821 563 A HN 1.006 nan 8.150 nan 0.000 0.457 564 R N -1.147 119.390 120.500 0.063 0.000 2.339 564 R HA -0.010 4.353 4.340 0.038 0.000 0.199 564 R C -0.133 176.206 176.300 0.065 0.000 1.018 564 R CA 1.346 57.487 56.100 0.069 0.000 1.036 564 R CB -0.245 30.086 30.300 0.052 0.000 0.899 564 R HN 0.296 nan 8.270 nan 0.000 0.473 565 D N 1.084 121.515 120.400 0.053 0.000 2.402 565 D HA 0.109 4.772 4.640 0.038 0.000 0.216 565 D C -0.368 175.954 176.300 0.037 0.000 1.128 565 D CA 0.029 54.055 54.000 0.043 0.000 0.833 565 D CB 1.014 41.831 40.800 0.029 0.000 0.971 565 D HN 0.001 nan 8.370 nan 0.000 0.503 566 V N 1.802 121.745 119.914 0.048 0.000 2.498 566 V HA 0.338 4.480 4.120 0.038 0.000 0.279 566 V C 0.490 176.572 176.094 -0.019 0.000 1.048 566 V CA -0.392 61.901 62.300 -0.013 0.000 0.967 566 V CB 1.698 33.516 31.823 -0.009 0.000 0.988 566 V HN -0.075 nan 8.190 nan 0.000 0.473 567 I N 4.554 125.050 120.570 -0.124 0.000 2.465 567 I HA 0.469 4.662 4.170 0.038 0.000 0.291 567 I C -1.059 174.968 176.117 -0.149 0.000 1.014 567 I CA -0.216 61.062 61.300 -0.036 0.000 1.093 567 I CB 1.961 39.973 38.000 0.021 0.000 1.267 567 I HN 0.434 nan 8.210 nan 0.000 0.431 568 F N 4.239 124.243 119.950 0.090 0.000 2.375 568 F HA 0.437 4.987 4.527 0.038 0.000 0.361 568 F C -0.159 175.668 175.800 0.046 0.000 1.117 568 F CA -0.432 57.623 58.000 0.093 0.000 1.037 568 F CB 1.195 40.251 39.000 0.094 0.000 1.192 568 F HN 0.388 nan 8.300 nan 0.000 0.452 569 D N 1.464 121.967 120.400 0.173 0.000 2.736 569 D HA 0.553 5.216 4.640 0.038 0.000 0.223 569 D C -0.465 175.870 176.300 0.058 0.000 1.231 569 D CA -0.296 53.765 54.000 0.101 0.000 0.818 569 D CB 1.795 42.641 40.800 0.076 0.000 1.587 569 D HN 0.685 nan 8.370 nan 0.000 0.463 570 A N 2.269 125.102 122.820 0.022 0.000 2.640 570 A HA 0.176 4.518 4.320 0.038 0.000 0.300 570 A C 1.498 179.087 177.584 0.009 0.000 1.499 570 A CA 1.950 53.989 52.037 0.003 0.000 0.759 570 A CB -2.246 16.759 19.000 0.010 0.000 1.048 570 A HN 1.986 nan 8.150 nan 0.000 0.450 571 G N -2.450 106.341 108.800 -0.015 0.000 2.155 571 G HA2 -0.222 3.761 3.960 0.038 0.000 0.257 571 G HA3 -0.222 3.761 3.960 0.038 0.000 0.257 571 G C -0.097 174.875 174.900 0.119 0.000 0.983 571 G CA 0.995 46.101 45.100 0.009 0.000 0.676 571 G HN 1.516 nan 8.290 nan 0.000 0.528 572 Q N -0.951 118.926 119.800 0.129 0.000 2.397 572 Q HA 0.667 5.030 4.340 0.038 0.000 0.275 572 Q C -0.808 175.275 176.000 0.138 0.000 1.090 572 Q CA -0.780 55.114 55.803 0.152 0.000 0.809 572 Q CB 3.064 31.857 28.738 0.092 0.000 1.362 572 Q HN 0.225 nan 8.270 nan 0.000 0.431 573 V N 1.447 121.445 119.914 0.141 0.000 2.628 573 V HA 0.435 4.578 4.120 0.038 0.000 0.306 573 V C -0.755 175.411 176.094 0.120 0.000 1.045 573 V CA -0.633 61.641 62.300 -0.044 0.000 0.905 573 V CB 2.088 33.832 31.823 -0.131 0.000 0.997 573 V HN 0.688 nan 8.190 nan 0.000 0.436 574 Q N 1.841 121.647 119.800 0.011 0.000 2.323 574 Q HA 0.825 5.188 4.340 0.038 0.000 0.271 574 Q C -1.059 175.001 176.000 0.100 0.000 1.048 574 Q CA -0.360 55.497 55.803 0.089 0.000 0.792 574 Q CB 2.299 31.045 28.738 0.015 0.000 1.280 574 Q HN 1.047 nan 8.270 nan 0.000 0.441 575 A N 1.425 124.366 122.820 0.202 0.000 2.513 575 A HA 0.557 4.900 4.320 0.038 0.000 0.296 575 A C -0.387 177.273 177.584 0.125 0.000 1.052 575 A CA -0.314 51.815 52.037 0.154 0.000 0.714 575 A CB 1.148 20.239 19.000 0.152 0.000 1.279 575 A HN 0.890 nan 8.150 nan 0.000 0.397 576 S N 0.786 116.520 115.700 0.056 0.000 3.549 576 S HA -0.060 4.433 4.470 0.038 0.000 0.366 576 S C 1.800 176.395 174.600 -0.008 0.000 1.012 576 S CA 1.837 60.053 58.200 0.026 0.000 1.141 576 S CB -1.662 61.563 63.200 0.041 0.000 0.910 576 S HN 2.888 nan 8.310 nan 0.000 0.471 577 G N -0.240 108.542 108.800 -0.029 0.000 2.304 577 G HA2 -0.361 3.621 3.960 0.038 0.000 0.252 577 G HA3 -0.361 3.621 3.960 0.038 0.000 0.252 577 G C 0.032 174.850 174.900 -0.138 0.000 1.014 577 G CA 0.819 45.879 45.100 -0.066 0.000 0.619 577 G HN 0.739 nan 8.290 nan 0.000 0.525 578 K N 0.851 121.130 120.400 -0.201 0.000 2.098 578 K HA 0.627 4.969 4.320 0.038 0.000 0.257 578 K C 0.364 176.595 176.600 -0.616 0.000 0.999 578 K CA 0.270 56.274 56.287 -0.473 0.000 0.924 578 K CB 1.393 33.505 32.500 -0.647 0.000 1.028 578 K HN 0.552 nan 8.250 nan 0.000 0.466 579 S N 0.186 115.415 115.700 -0.784 0.000 2.564 579 S HA 0.623 5.116 4.470 0.038 0.000 0.274 579 S C -1.340 172.947 174.600 -0.521 0.000 1.124 579 S CA -1.043 56.873 58.200 -0.473 0.000 0.869 579 S CB 1.297 64.379 63.200 -0.197 0.000 1.105 579 S HN 0.660 nan 8.310 nan 0.000 0.472 580 W N 0.109 121.401 121.300 -0.013 0.000 3.042 580 W HA 0.482 5.165 4.660 0.038 0.000 0.342 580 W C -0.214 176.331 176.519 0.045 0.000 1.240 580 W CA -0.981 56.371 57.345 0.013 0.000 1.166 580 W CB 1.978 31.446 29.460 0.014 0.000 1.469 580 W HN 0.575 nan 8.180 nan 0.000 0.579 581 R N 0.854 121.563 120.500 0.349 0.000 2.410 581 R HA 0.157 4.520 4.340 0.038 0.000 0.288 581 R C 1.109 177.597 176.300 0.314 0.000 1.051 581 R CA -0.538 55.724 56.100 0.270 0.000 1.021 581 R CB 0.834 31.256 30.300 0.204 0.000 1.032 581 R HN 0.381 nan 8.270 nan 0.000 0.481 582 F N 2.836 122.877 119.950 0.152 0.000 2.063 582 F HA -0.365 4.184 4.527 0.036 0.000 0.298 582 F C 2.070 177.945 175.800 0.125 0.000 1.105 582 F CA 2.300 60.396 58.000 0.160 0.000 1.215 582 F CB -0.385 38.709 39.000 0.156 0.000 0.972 582 F HN 0.732 nan 8.300 nan 0.000 0.483 583 A N 0.045 123.001 122.820 0.227 0.000 1.869 583 A HA -0.315 4.028 4.320 0.038 0.000 0.218 583 A C 2.117 179.701 177.584 0.000 0.000 1.203 583 A CA 2.278 54.354 52.037 0.065 0.000 0.638 583 A CB -1.218 17.851 19.000 0.115 0.000 0.831 583 A HN 0.604 nan 8.150 nan 0.000 0.450 584 E N -0.485 119.761 120.200 0.077 0.000 2.070 584 E HA -0.220 4.153 4.350 0.038 0.000 0.197 584 E C 1.972 178.560 176.600 -0.019 0.000 1.004 584 E CA 1.380 57.825 56.400 0.074 0.000 0.805 584 E CB -0.386 29.425 29.700 0.184 0.000 0.744 584 E HN 0.601 nan 8.360 nan 0.000 0.451 585 I N 0.927 121.454 120.570 -0.073 0.000 2.127 585 I HA -0.239 3.954 4.170 0.038 0.000 0.241 585 I C 2.542 178.584 176.117 -0.125 0.000 1.075 585 I CA 1.113 62.337 61.300 -0.126 0.000 1.334 585 I CB -1.372 36.556 38.000 -0.121 0.000 1.040 585 I HN 0.022 nan 8.210 nan 0.000 0.405 586 V N 1.687 121.445 119.914 -0.259 0.000 2.252 586 V HA -0.321 3.821 4.120 0.038 0.000 0.249 586 V C 2.926 178.948 176.094 -0.120 0.000 1.056 586 V CA 2.074 64.225 62.300 -0.248 0.000 1.022 586 V CB -1.504 30.132 31.823 -0.311 0.000 0.641 586 V HN 0.486 nan 8.190 nan 0.000 0.445 587 A N 0.345 123.130 122.820 -0.058 0.000 1.884 587 A HA -0.278 4.065 4.320 0.038 0.000 0.219 587 A C 2.459 180.059 177.584 0.026 0.000 1.197 587 A CA 3.023 55.078 52.037 0.030 0.000 0.637 587 A CB -1.134 17.890 19.000 0.040 0.000 0.827 587 A HN 0.686 nan 8.150 nan 0.000 0.450 588 A N -0.579 122.235 122.820 -0.009 0.000 1.933 588 A HA 0.149 4.492 4.320 0.038 0.000 0.218 588 A C 2.504 179.904 177.584 -0.306 0.000 1.175 588 A CA 2.250 54.289 52.037 0.004 0.000 0.628 588 A CB -1.021 18.094 19.000 0.191 0.000 0.814 588 A HN 1.226 nan 8.150 nan 0.000 0.444 589 A N -1.495 120.986 122.820 -0.565 0.000 1.972 589 A HA -0.077 4.266 4.320 0.038 0.000 0.219 589 A C 2.087 179.404 177.584 -0.446 0.000 1.169 589 A CA 1.645 53.095 52.037 -0.979 0.000 0.635 589 A CB -0.741 17.807 19.000 -0.753 0.000 0.810 589 A HN 0.757 nan 8.150 nan 0.000 0.446 590 Y N 0.604 120.719 120.300 -0.307 0.000 2.114 590 Y HA -0.229 4.345 4.550 0.039 0.000 0.284 590 Y C 2.281 178.086 175.900 -0.159 0.000 1.143 590 Y CA 2.126 60.112 58.100 -0.190 0.000 1.135 590 Y CB -0.377 38.010 38.460 -0.121 0.000 0.980 590 Y HN 0.242 nan 8.280 nan 0.000 0.499 591 M N -0.018 119.404 119.600 -0.296 0.000 2.267 591 M HA -0.153 4.349 4.480 0.038 0.000 0.263 591 M C 2.135 178.262 176.300 -0.287 0.000 1.063 591 M CA 1.633 56.733 55.300 -0.333 0.000 1.090 591 M CB -1.334 31.194 32.600 -0.120 0.000 1.392 591 M HN 0.508 nan 8.290 nan 0.000 0.422 592 A N 0.046 122.698 122.820 -0.280 0.000 2.238 592 A HA 0.073 4.416 4.320 0.038 0.000 0.208 592 A C 0.731 178.185 177.584 -0.216 0.000 1.177 592 A CA -0.072 51.843 52.037 -0.203 0.000 0.804 592 A CB -0.252 18.603 19.000 -0.241 0.000 0.823 592 A HN 0.576 nan 8.150 nan 0.000 0.482 593 R N -1.415 118.914 120.500 -0.286 0.000 3.201 593 R HA -0.127 4.235 4.340 0.038 0.000 0.254 593 R C -1.163 175.039 176.300 -0.164 0.000 0.978 593 R CA 0.668 56.638 56.100 -0.216 0.000 0.661 593 R CB -2.275 27.928 30.300 -0.160 0.000 1.170 593 R HN 0.516 nan 8.270 nan 0.000 0.430 594 I N 0.718 121.171 120.570 -0.195 0.000 2.389 594 I HA 0.111 4.304 4.170 0.038 0.000 0.288 594 I C 0.844 176.901 176.117 -0.099 0.000 0.999 594 I CA -0.531 60.678 61.300 -0.152 0.000 1.129 594 I CB 1.915 39.777 38.000 -0.229 0.000 1.288 594 I HN 0.262 nan 8.210 nan 0.000 0.444 595 S N 7.070 122.732 115.700 -0.062 0.000 2.575 595 S HA 0.104 4.597 4.470 0.038 0.000 0.295 595 S C 0.312 174.879 174.600 -0.056 0.000 1.267 595 S CA 0.017 58.191 58.200 -0.042 0.000 1.074 595 S CB 0.168 63.347 63.200 -0.034 0.000 0.829 595 S HN 0.546 nan 8.310 nan 0.000 0.497 596 L N 4.481 125.670 121.223 -0.057 0.000 3.073 596 L HA 0.335 4.698 4.340 0.038 0.000 0.242 596 L C 0.542 177.352 176.870 -0.100 0.000 1.317 596 L CA -0.350 54.439 54.840 -0.085 0.000 1.081 596 L CB -0.106 41.889 42.059 -0.106 0.000 1.456 596 L HN 0.640 nan 8.230 nan 0.000 0.525 597 S N 0.463 116.119 115.700 -0.074 0.000 2.549 597 S HA 0.913 5.406 4.470 0.038 0.000 0.280 597 S C -0.992 173.581 174.600 -0.046 0.000 1.109 597 S CA -0.212 57.942 58.200 -0.077 0.000 0.905 597 S CB 2.229 65.387 63.200 -0.070 0.000 1.081 597 S HN 0.265 nan 8.310 nan 0.000 0.477 598 A N 1.963 124.762 122.820 -0.035 0.000 2.604 598 A HA 0.782 5.125 4.320 0.038 0.000 0.295 598 A C -0.175 177.413 177.584 0.006 0.000 1.067 598 A CA -0.447 51.583 52.037 -0.012 0.000 0.683 598 A CB 1.048 20.043 19.000 -0.008 0.000 1.281 598 A HN 1.193 nan 8.150 nan 0.000 0.407 599 T N -1.035 113.533 114.554 0.022 0.000 2.923 599 T HA 0.896 5.269 4.350 0.038 0.000 0.281 599 T C 0.295 175.039 174.700 0.072 0.000 0.995 599 T CA -0.255 61.874 62.100 0.049 0.000 0.985 599 T CB 1.803 70.703 68.868 0.054 0.000 1.114 599 T HN 2.143 nan 8.240 nan 0.000 0.548 600 G N -0.455 108.416 108.800 0.118 0.000 2.703 600 G HA2 0.590 4.573 3.960 0.038 0.000 0.294 600 G HA3 0.590 4.573 3.960 0.038 0.000 0.294 600 G C -2.162 172.894 174.900 0.261 0.000 1.451 600 G CA -0.823 44.369 45.100 0.154 0.000 0.869 600 G HN 0.836 nan 8.290 nan 0.000 0.516 601 F N 0.679 120.677 119.950 0.080 0.000 2.668 601 F HA 0.819 5.368 4.527 0.036 0.000 0.309 601 F C -2.001 173.905 175.800 0.177 0.000 1.117 601 F CA -1.246 56.817 58.000 0.105 0.000 0.951 601 F CB 2.108 41.148 39.000 0.067 0.000 1.323 601 F HN 0.742 nan 8.300 nan 0.000 0.451 602 Y N 2.539 122.194 120.300 -1.075 0.000 2.558 602 Y HA 0.754 5.327 4.550 0.037 0.000 0.333 602 Y C -2.001 173.498 175.900 -0.669 0.000 1.125 602 Y CA -0.668 57.066 58.100 -0.609 0.000 1.039 602 Y CB 1.801 40.093 38.460 -0.280 0.000 1.331 602 Y HN 0.958 nan 8.280 nan 0.000 0.456 603 A N 3.100 125.260 122.820 -1.100 0.000 2.381 603 A HA 0.618 4.961 4.320 0.038 0.000 0.299 603 A C -1.081 176.048 177.584 -0.758 0.000 1.049 603 A CA -0.716 50.945 52.037 -0.627 0.000 0.715 603 A CB 1.045 19.901 19.000 -0.239 0.000 1.222 603 A HN 0.669 nan 8.150 nan 0.000 0.428 604 T N 5.412 119.785 114.554 -0.302 0.000 2.814 604 T HA 0.455 4.827 4.350 0.038 0.000 0.297 604 T C -1.864 172.769 174.700 -0.112 0.000 0.956 604 T CA -0.413 61.604 62.100 -0.138 0.000 1.123 604 T CB 0.524 69.449 68.868 0.094 0.000 0.902 604 T HN 0.638 nan 8.240 nan 0.000 0.528 605 P HA 0.292 nan 4.420 nan 0.000 0.289 605 P C -0.168 177.137 177.300 0.008 0.000 1.299 605 P CA -0.549 62.528 63.100 -0.039 0.000 0.766 605 P CB 0.578 32.262 31.700 -0.027 0.000 1.226 606 K N -2.215 118.193 120.400 0.013 0.000 3.185 606 K HA -0.166 4.177 4.320 0.038 0.000 0.298 606 K C -0.154 176.460 176.600 0.023 0.000 1.178 606 K CA 0.736 57.038 56.287 0.024 0.000 0.882 606 K CB -1.966 30.556 32.500 0.036 0.000 1.218 606 K HN 0.371 nan 8.250 nan 0.000 0.454 607 L N -0.277 120.959 121.223 0.022 0.000 2.317 607 L HA 0.639 5.001 4.340 0.038 0.000 0.281 607 L C 0.084 176.989 176.870 0.057 0.000 1.024 607 L CA -0.837 54.017 54.840 0.023 0.000 0.810 607 L CB 2.025 44.090 42.059 0.011 0.000 1.240 607 L HN -0.015 nan 8.230 nan 0.000 0.427 608 S N 2.648 118.399 115.700 0.083 0.000 2.583 608 S HA 0.679 5.172 4.470 0.038 0.000 0.294 608 S C -2.191 172.550 174.600 0.235 0.000 1.121 608 S CA -0.638 57.641 58.200 0.132 0.000 0.910 608 S CB 1.236 64.481 63.200 0.075 0.000 1.102 608 S HN 0.742 nan 8.310 nan 0.000 0.451 609 W N 3.706 124.955 121.300 -0.084 0.000 3.173 609 W HA 0.512 5.194 4.660 0.037 0.000 0.313 609 W C -2.727 173.729 176.519 -0.105 0.000 1.228 609 W CA -0.603 56.670 57.345 -0.119 0.000 1.185 609 W CB 0.395 29.741 29.460 -0.190 0.000 1.390 609 W HN 0.652 nan 8.180 nan 0.000 0.568 610 D N 2.876 122.999 120.400 -0.461 0.000 2.462 610 D HA 0.305 4.968 4.640 0.038 0.000 0.245 610 D C 1.179 176.952 176.300 -0.878 0.000 1.122 610 D CA -0.362 53.260 54.000 -0.630 0.000 0.864 610 D CB 1.627 42.254 40.800 -0.288 0.000 1.098 610 D HN 0.515 nan 8.370 nan 0.000 0.541 611 R N 2.793 122.561 120.500 -1.221 0.000 2.134 611 R HA -0.154 4.209 4.340 0.038 0.000 0.248 611 R C 1.698 177.928 176.300 -0.117 0.000 1.143 611 R CA 1.380 57.010 56.100 -0.783 0.000 0.957 611 R CB 0.043 30.070 30.300 -0.455 0.000 0.867 611 R HN 0.530 nan 8.270 nan 0.000 0.441 612 L N -0.622 120.528 121.223 -0.122 0.000 2.109 612 L HA -0.129 4.234 4.340 0.038 0.000 0.207 612 L C 2.631 179.545 176.870 0.073 0.000 1.086 612 L CA 1.184 56.052 54.840 0.047 0.000 0.760 612 L CB -0.273 41.780 42.059 -0.011 0.000 0.910 612 L HN 0.184 nan 8.230 nan 0.000 0.437 613 R N -0.225 120.214 120.500 -0.102 0.000 2.161 613 R HA 0.032 4.395 4.340 0.038 0.000 0.213 613 R C 1.129 177.224 176.300 -0.341 0.000 1.055 613 R CA 0.692 56.718 56.100 -0.124 0.000 0.996 613 R CB 0.008 30.241 30.300 -0.112 0.000 0.901 613 R HN 0.460 nan 8.270 nan 0.000 0.456 614 G N 1.321 109.708 108.800 -0.688 0.000 2.182 614 G HA2 -0.224 3.758 3.960 0.038 0.000 0.248 614 G HA3 -0.224 3.758 3.960 0.038 0.000 0.248 614 G C -0.290 174.269 174.900 -0.568 0.000 1.042 614 G CA 0.005 44.236 45.100 -1.448 0.000 0.775 614 G HN 0.213 nan 8.290 nan 0.000 0.501 615 Q N -0.949 118.709 119.800 -0.236 0.000 2.372 615 Q HA 0.730 5.092 4.340 0.038 0.000 0.273 615 Q C 0.359 176.417 176.000 0.098 0.000 1.078 615 Q CA 0.225 56.003 55.803 -0.041 0.000 0.806 615 Q CB 2.318 31.024 28.738 -0.052 0.000 1.332 615 Q HN 1.514 nan 8.270 nan 0.000 0.435 616 G N 1.165 110.049 108.800 0.139 0.000 2.339 616 G HA2 0.025 4.007 3.960 0.038 0.000 0.275 616 G HA3 0.025 4.007 3.960 0.038 0.000 0.275 616 G C -1.589 173.381 174.900 0.117 0.000 1.323 616 G CA -0.918 44.279 45.100 0.162 0.000 0.927 616 G HN 0.321 nan 8.290 nan 0.000 0.486 617 R N 1.586 122.121 120.500 0.059 0.000 2.363 617 R HA 0.400 4.763 4.340 0.038 0.000 0.297 617 R C -1.847 174.322 176.300 -0.218 0.000 1.208 617 R CA -1.674 54.403 56.100 -0.038 0.000 1.121 617 R CB 1.791 32.093 30.300 0.002 0.000 1.124 617 R HN 0.359 nan 8.270 nan 0.000 0.561 618 P HA 0.002 nan 4.420 nan 0.000 0.235 618 P C -0.338 176.467 177.300 -0.824 0.000 1.177 618 P CA 0.513 62.956 63.100 -1.096 0.000 0.785 618 P CB 0.403 30.713 31.700 -2.317 0.000 0.885 619 F N -1.101 118.612 119.950 -0.395 0.000 2.561 619 F HA 0.277 4.827 4.527 0.037 0.000 0.321 619 F C 1.550 177.156 175.800 -0.323 0.000 1.065 619 F CA -1.290 56.445 58.000 -0.442 0.000 0.934 619 F CB 1.374 39.935 39.000 -0.732 0.000 1.215 619 F HN -0.338 nan 8.300 nan 0.000 0.471 620 L N 2.117 123.295 121.223 -0.076 0.000 2.095 620 L HA 0.065 4.428 4.340 0.038 0.000 0.204 620 L C -0.466 176.454 176.870 0.083 0.000 1.080 620 L CA 1.466 56.329 54.840 0.038 0.000 0.759 620 L CB -0.303 41.874 42.059 0.196 0.000 0.914 620 L HN 0.651 nan 8.230 nan 0.000 0.439 621 Y N -5.377 114.811 120.300 -0.186 0.000 2.741 621 Y HA 0.539 5.111 4.550 0.037 0.000 0.339 621 Y C -1.295 174.397 175.900 -0.346 0.000 1.226 621 Y CA -2.418 55.601 58.100 -0.135 0.000 1.072 621 Y CB 0.033 38.493 38.460 -0.001 0.000 1.331 621 Y HN -0.196 nan 8.280 nan 0.000 0.453 622 F N 1.244 121.191 119.950 -0.005 0.000 2.541 622 F HA 0.894 5.444 4.527 0.038 0.000 0.331 622 F C 0.275 175.944 175.800 -0.217 0.000 1.057 622 F CA -0.690 57.114 58.000 -0.327 0.000 0.975 622 F CB 2.036 40.709 39.000 -0.544 0.000 1.246 622 F HN 0.821 nan 8.300 nan 0.000 0.484 623 A N 1.246 123.993 122.820 -0.122 0.000 2.337 623 A HA 0.811 5.154 4.320 0.038 0.000 0.329 623 A C -1.759 175.662 177.584 -0.272 0.000 1.146 623 A CA -0.389 51.638 52.037 -0.016 0.000 0.800 623 A CB 0.480 19.528 19.000 0.079 0.000 1.220 623 A HN 0.661 nan 8.150 nan 0.000 0.472 624 Y N 0.187 120.381 120.300 -0.177 0.000 2.773 624 Y HA 0.843 5.416 4.550 0.038 0.000 0.323 624 Y C 0.820 176.364 175.900 -0.594 0.000 1.183 624 Y CA -0.250 57.667 58.100 -0.306 0.000 1.144 624 Y CB 1.812 40.081 38.460 -0.318 0.000 1.340 624 Y HN 1.199 nan 8.280 nan 0.000 0.531 625 G N -0.761 107.921 108.800 -0.197 0.000 2.313 625 G HA2 0.632 4.615 3.960 0.038 0.000 0.296 625 G HA3 0.632 4.615 3.960 0.038 0.000 0.296 625 G C -2.212 172.653 174.900 -0.058 0.000 1.356 625 G CA -0.138 44.835 45.100 -0.211 0.000 0.833 625 G HN 1.053 nan 8.290 nan 0.000 0.552 626 A N -1.414 121.411 122.820 0.008 0.000 2.606 626 A HA 1.112 5.455 4.320 0.038 0.000 0.293 626 A C -0.508 177.104 177.584 0.046 0.000 1.082 626 A CA 0.284 52.325 52.037 0.006 0.000 0.685 626 A CB 1.416 20.382 19.000 -0.056 0.000 1.284 626 A HN 2.601 nan 8.150 nan 0.000 0.408 627 A N 0.440 123.285 122.820 0.042 0.000 2.520 627 A HA 0.770 5.113 4.320 0.038 0.000 0.298 627 A C -1.407 176.175 177.584 -0.003 0.000 1.051 627 A CA -0.244 51.822 52.037 0.049 0.000 0.690 627 A CB 0.944 20.038 19.000 0.157 0.000 1.281 627 A HN 0.891 nan 8.150 nan 0.000 0.402 628 I N 1.848 122.390 120.570 -0.046 0.000 2.439 628 I HA 0.408 4.601 4.170 0.038 0.000 0.285 628 I C -0.258 175.849 176.117 -0.016 0.000 1.021 628 I CA -0.009 61.241 61.300 -0.083 0.000 1.091 628 I CB 2.361 40.233 38.000 -0.212 0.000 1.242 628 I HN 0.627 nan 8.210 nan 0.000 0.439 629 T N 5.386 119.963 114.554 0.037 0.000 2.888 629 T HA 0.405 4.778 4.350 0.038 0.000 0.284 629 T C -0.792 173.930 174.700 0.036 0.000 1.017 629 T CA -0.602 61.523 62.100 0.042 0.000 1.022 629 T CB 2.004 70.937 68.868 0.109 0.000 1.013 629 T HN 0.586 nan 8.240 nan 0.000 0.465 630 E N 1.753 121.955 120.200 0.002 0.000 2.272 630 E HA 0.661 5.033 4.350 0.038 0.000 0.269 630 E C -1.243 175.329 176.600 -0.046 0.000 0.877 630 E CA -0.847 55.546 56.400 -0.013 0.000 0.755 630 E CB 1.608 31.293 29.700 -0.024 0.000 1.192 630 E HN 0.485 nan 8.360 nan 0.000 0.422 631 V N 0.202 120.082 119.914 -0.057 0.000 3.182 631 V HA 0.819 4.962 4.120 0.038 0.000 0.308 631 V C -0.940 175.103 176.094 -0.085 0.000 1.240 631 V CA -0.754 61.506 62.300 -0.068 0.000 1.063 631 V CB 1.543 33.333 31.823 -0.054 0.000 1.076 631 V HN 0.514 nan 8.190 nan 0.000 0.446 632 V N 0.577 120.447 119.914 -0.074 0.000 3.007 632 V HA 0.807 4.950 4.120 0.038 0.000 0.311 632 V C -0.335 175.743 176.094 -0.026 0.000 1.120 632 V CA -0.466 61.801 62.300 -0.054 0.000 0.980 632 V CB 1.474 33.269 31.823 -0.048 0.000 1.033 632 V HN 1.357 nan 8.190 nan 0.000 0.429 633 I N -0.900 119.671 120.570 0.001 0.000 3.042 633 I HA 0.845 5.037 4.170 0.038 0.000 0.310 633 I C -1.416 174.712 176.117 0.018 0.000 1.117 633 I CA -0.617 60.677 61.300 -0.010 0.000 1.003 633 I CB 2.467 40.444 38.000 -0.038 0.000 1.228 633 I HN 0.690 nan 8.210 nan 0.000 0.443 634 D N 2.720 123.122 120.400 0.003 0.000 2.373 634 D HA 0.335 4.998 4.640 0.038 0.000 0.227 634 D C 0.659 176.955 176.300 -0.007 0.000 1.091 634 D CA -0.515 53.491 54.000 0.009 0.000 0.840 634 D CB 1.381 42.184 40.800 0.004 0.000 1.060 634 D HN 0.520 nan 8.370 nan 0.000 0.502 635 R N 2.707 123.205 120.500 -0.004 0.000 2.193 635 R HA -0.041 4.321 4.340 0.038 0.000 0.229 635 R C 1.422 177.711 176.300 -0.019 0.000 1.110 635 R CA 0.812 56.902 56.100 -0.017 0.000 0.988 635 R CB 0.010 30.300 30.300 -0.017 0.000 0.871 635 R HN 0.578 nan 8.270 nan 0.000 0.458 636 L N -0.708 120.506 121.223 -0.015 0.000 2.102 636 L HA -0.059 4.304 4.340 0.038 0.000 0.202 636 L C 2.384 179.244 176.870 -0.017 0.000 1.076 636 L CA 1.625 56.456 54.840 -0.016 0.000 0.761 636 L CB -0.384 41.667 42.059 -0.013 0.000 0.921 636 L HN 0.254 nan 8.230 nan 0.000 0.444 637 T N -4.886 109.658 114.554 -0.016 0.000 2.971 637 T HA 0.285 4.658 4.350 0.038 0.000 0.252 637 T C 1.376 176.062 174.700 -0.024 0.000 1.022 637 T CA 0.540 62.629 62.100 -0.018 0.000 0.980 637 T CB 1.013 69.872 68.868 -0.015 0.000 1.044 637 T HN 0.419 nan 8.240 nan 0.000 0.501 638 G N 1.211 109.996 108.800 -0.026 0.000 2.175 638 G HA2 -0.224 3.759 3.960 0.038 0.000 0.244 638 G HA3 -0.224 3.759 3.960 0.038 0.000 0.244 638 G C -0.156 174.723 174.900 -0.035 0.000 0.982 638 G CA 0.070 45.148 45.100 -0.036 0.000 0.641 638 G HN 0.671 nan 8.290 nan 0.000 0.527 639 E N 0.535 120.720 120.200 -0.025 0.000 2.438 639 E HA 0.426 4.798 4.350 0.038 0.000 0.261 639 E C 0.688 177.272 176.600 -0.026 0.000 1.103 639 E CA 1.055 57.440 56.400 -0.024 0.000 0.959 639 E CB 0.261 29.952 29.700 -0.015 0.000 0.958 639 E HN 0.847 nan 8.360 nan 0.000 0.447 640 N N -0.179 118.503 118.700 -0.030 0.000 3.355 640 N HA 0.392 5.155 4.740 0.038 0.000 0.238 640 N C -1.712 173.776 175.510 -0.036 0.000 1.466 640 N CA -1.073 51.957 53.050 -0.033 0.000 0.882 640 N CB 1.020 39.478 38.487 -0.048 0.000 1.406 640 N HN 0.503 nan 8.380 nan 0.000 0.500 641 R N -0.465 120.011 120.500 -0.040 0.000 2.753 641 R HA 0.424 4.786 4.340 0.038 0.000 0.272 641 R C -1.899 174.373 176.300 -0.048 0.000 1.034 641 R CA -0.985 55.091 56.100 -0.041 0.000 0.869 641 R CB 0.572 30.854 30.300 -0.029 0.000 1.264 641 R HN 0.531 nan 8.270 nan 0.000 0.481 642 I N 3.665 124.206 120.570 -0.047 0.000 2.322 642 I HA 0.113 4.305 4.170 0.038 0.000 0.292 642 I C 1.252 177.330 176.117 -0.065 0.000 1.060 642 I CA -0.524 60.744 61.300 -0.054 0.000 1.309 642 I CB 1.089 39.062 38.000 -0.046 0.000 1.415 642 I HN 0.534 nan 8.210 nan 0.000 0.492 643 L N 5.440 126.619 121.223 -0.073 0.000 2.162 643 L HA 0.148 4.510 4.340 0.038 0.000 0.205 643 L C 1.111 177.935 176.870 -0.077 0.000 1.086 643 L CA 0.763 55.557 54.840 -0.075 0.000 0.778 643 L CB -0.196 41.804 42.059 -0.098 0.000 0.928 643 L HN 0.617 nan 8.230 nan 0.000 0.446 644 R N -1.019 119.430 120.500 -0.086 0.000 2.643 644 R HA 0.477 4.840 4.340 0.038 0.000 0.269 644 R C -1.591 174.636 176.300 -0.123 0.000 1.037 644 R CA -0.373 55.671 56.100 -0.093 0.000 0.894 644 R CB 2.175 32.441 30.300 -0.057 0.000 1.238 644 R HN -0.239 nan 8.270 nan 0.000 0.459 645 T N 1.829 116.270 114.554 -0.187 0.000 2.900 645 T HA 0.424 4.796 4.350 0.038 0.000 0.303 645 T C -1.809 172.792 174.700 -0.164 0.000 1.142 645 T CA -0.604 61.344 62.100 -0.252 0.000 1.007 645 T CB 1.796 70.273 68.868 -0.652 0.000 1.156 645 T HN 0.641 nan 8.240 nan 0.000 0.490 646 D N 1.117 121.446 120.400 -0.119 0.000 2.964 646 D HA 0.610 5.273 4.640 0.038 0.000 0.234 646 D C -0.829 175.447 176.300 -0.039 0.000 1.223 646 D CA -0.380 53.594 54.000 -0.042 0.000 0.889 646 D CB 1.532 42.320 40.800 -0.021 0.000 1.609 646 D HN 0.321 nan 8.370 nan 0.000 0.523 647 I N 1.666 122.238 120.570 0.004 0.000 2.828 647 I HA 0.539 4.732 4.170 0.038 0.000 0.302 647 I C -1.457 174.699 176.117 0.064 0.000 1.101 647 I CA -1.194 60.125 61.300 0.032 0.000 1.031 647 I CB 2.197 40.227 38.000 0.050 0.000 1.231 647 I HN 0.177 nan 8.210 nan 0.000 0.427 648 L N 4.783 126.056 121.223 0.083 0.000 2.482 648 L HA 0.538 4.901 4.340 0.038 0.000 0.269 648 L C -1.512 175.441 176.870 0.138 0.000 0.967 648 L CA -0.029 54.877 54.840 0.110 0.000 0.851 648 L CB 1.330 43.437 42.059 0.080 0.000 1.242 648 L HN 0.645 nan 8.230 nan 0.000 0.404 649 H N 1.696 120.813 119.070 0.079 0.000 2.821 649 H HA 0.619 5.198 4.556 0.038 0.000 0.373 649 H C -1.543 173.868 175.328 0.138 0.000 1.165 649 H CA -0.588 55.504 56.048 0.072 0.000 1.154 649 H CB 1.909 31.712 29.762 0.069 0.000 1.765 649 H HN 0.738 nan 8.280 nan 0.000 0.549 650 D N 2.719 123.032 120.400 -0.146 0.000 2.392 650 D HA 0.396 5.059 4.640 0.038 0.000 0.228 650 D C -0.720 175.705 176.300 0.208 0.000 1.074 650 D CA -0.505 53.586 54.000 0.152 0.000 0.838 650 D CB 1.126 41.971 40.800 0.075 0.000 1.067 650 D HN 0.614 nan 8.370 nan 0.000 0.511 651 A N 3.699 126.675 122.820 0.259 0.000 2.827 651 A HA 0.682 5.025 4.320 0.038 0.000 0.300 651 A C 1.207 178.875 177.584 0.140 0.000 1.237 651 A CA 0.093 52.257 52.037 0.212 0.000 0.964 651 A CB -0.714 18.397 19.000 0.185 0.000 1.143 651 A HN 1.070 nan 8.150 nan 0.000 0.554 652 G N 0.101 108.989 108.800 0.146 0.000 2.575 652 G HA2 0.131 4.113 3.960 0.038 0.000 0.267 652 G HA3 0.131 4.113 3.960 0.038 0.000 0.267 652 G C 0.567 175.499 174.900 0.053 0.000 1.264 652 G CA -0.049 45.095 45.100 0.074 0.000 0.935 652 G HN 1.889 nan 8.290 nan 0.000 0.568 653 A N -0.019 122.811 122.820 0.017 0.000 2.805 653 A HA 0.642 4.985 4.320 0.038 0.000 0.301 653 A C 1.049 178.643 177.584 0.017 0.000 1.557 653 A CA 1.457 53.499 52.037 0.008 0.000 1.254 653 A CB -0.508 18.501 19.000 0.014 0.000 1.114 653 A HN 2.373 nan 8.150 nan 0.000 0.553 654 S N 2.242 117.955 115.700 0.021 0.000 2.642 654 S HA 0.007 4.500 4.470 0.038 0.000 0.308 654 S C 1.181 175.775 174.600 -0.010 0.000 1.255 654 S CA -0.104 58.106 58.200 0.017 0.000 1.057 654 S CB -0.173 63.040 63.200 0.021 0.000 0.785 654 S HN 0.565 nan 8.310 nan 0.000 0.500 655 L N 3.094 124.307 121.223 -0.017 0.000 2.376 655 L HA 0.126 4.488 4.340 0.038 0.000 0.219 655 L C 1.184 178.015 176.870 -0.066 0.000 1.133 655 L CA 0.425 55.231 54.840 -0.056 0.000 0.816 655 L CB -0.486 41.539 42.059 -0.057 0.000 0.933 655 L HN 0.706 nan 8.230 nan 0.000 0.449 656 N N -1.156 117.519 118.700 -0.041 0.000 3.049 656 N HA 0.116 4.878 4.740 0.038 0.000 0.241 656 N C -2.428 173.069 175.510 -0.021 0.000 1.323 656 N CA -0.942 52.083 53.050 -0.041 0.000 0.824 656 N CB 1.409 39.867 38.487 -0.049 0.000 1.557 656 N HN -0.309 nan 8.380 nan 0.000 0.612 657 P HA -0.107 nan 4.420 nan 0.000 0.215 657 P C 1.143 178.438 177.300 -0.009 0.000 1.157 657 P CA 2.052 65.147 63.100 -0.007 0.000 0.874 657 P CB 0.362 32.055 31.700 -0.011 0.000 0.790 658 A N -0.507 122.305 122.820 -0.013 0.000 1.851 658 A HA -0.203 4.140 4.320 0.038 0.000 0.216 658 A C 2.262 179.844 177.584 -0.004 0.000 1.195 658 A CA 1.632 53.663 52.037 -0.011 0.000 0.622 658 A CB -1.728 17.268 19.000 -0.006 0.000 0.831 658 A HN 0.088 nan 8.150 nan 0.000 0.444 659 L N -0.485 120.738 121.223 0.000 0.000 2.043 659 L HA -0.252 4.110 4.340 0.038 0.000 0.212 659 L C 2.142 179.014 176.870 0.005 0.000 1.075 659 L CA 1.760 56.606 54.840 0.010 0.000 0.752 659 L CB -0.763 41.295 42.059 -0.002 0.000 0.891 659 L HN 0.387 nan 8.230 nan 0.000 0.432 660 D N -0.136 120.263 120.400 -0.001 0.000 2.123 660 D HA -0.133 4.529 4.640 0.038 0.000 0.200 660 D C 2.219 178.512 176.300 -0.012 0.000 0.976 660 D CA 0.879 54.880 54.000 0.001 0.000 0.831 660 D CB -0.037 40.775 40.800 0.019 0.000 0.974 660 D HN 0.143 nan 8.370 nan 0.000 0.469 661 I N 1.275 121.835 120.570 -0.016 0.000 2.264 661 I HA -0.153 4.039 4.170 0.038 0.000 0.248 661 I C 2.487 178.571 176.117 -0.056 0.000 1.111 661 I CA 1.153 62.429 61.300 -0.040 0.000 1.382 661 I CB -1.565 36.403 38.000 -0.053 0.000 1.060 661 I HN -0.012 nan 8.210 nan 0.000 0.418 662 G N 0.140 108.920 108.800 -0.033 0.000 2.421 662 G HA2 -0.220 3.763 3.960 0.038 0.000 0.216 662 G HA3 -0.220 3.763 3.960 0.038 0.000 0.216 662 G C 1.512 176.414 174.900 0.004 0.000 1.171 662 G CA 0.211 45.297 45.100 -0.022 0.000 0.775 662 G HN 0.351 nan 8.290 nan 0.000 0.543 663 Q N 0.186 119.993 119.800 0.011 0.000 2.061 663 Q HA -0.082 4.281 4.340 0.038 0.000 0.204 663 Q C 2.745 178.749 176.000 0.007 0.000 0.984 663 Q CA 1.077 56.895 55.803 0.024 0.000 0.846 663 Q CB -0.366 28.375 28.738 0.005 0.000 0.902 663 Q HN 0.554 nan 8.270 nan 0.000 0.421 664 I N 1.280 121.822 120.570 -0.047 0.000 2.118 664 I HA -0.328 3.865 4.170 0.038 0.000 0.241 664 I C 2.302 178.449 176.117 0.049 0.000 1.070 664 I CA 1.581 62.844 61.300 -0.062 0.000 1.327 664 I CB -0.331 37.608 38.000 -0.102 0.000 1.034 664 I HN 0.260 nan 8.210 nan 0.000 0.405 665 E N 0.531 120.731 120.200 0.000 0.000 2.051 665 E HA -0.180 4.193 4.350 0.038 0.000 0.192 665 E C 2.356 179.077 176.600 0.202 0.000 0.991 665 E CA 1.331 57.749 56.400 0.030 0.000 0.799 665 E CB -0.517 28.997 29.700 -0.309 0.000 0.748 665 E HN 0.638 nan 8.360 nan 0.000 0.449 666 G N 1.412 110.286 108.800 0.123 0.000 2.421 666 G HA2 -0.238 3.745 3.960 0.038 0.000 0.216 666 G HA3 -0.238 3.745 3.960 0.038 0.000 0.216 666 G C 1.769 176.789 174.900 0.200 0.000 1.171 666 G CA 0.963 46.159 45.100 0.160 0.000 0.775 666 G HN 0.348 nan 8.290 nan 0.000 0.543 667 A N 0.151 123.086 122.820 0.192 0.000 1.883 667 A HA -0.117 4.225 4.320 0.038 0.000 0.217 667 A C 2.181 179.872 177.584 0.178 0.000 1.186 667 A CA 1.871 54.045 52.037 0.229 0.000 0.624 667 A CB -0.845 18.266 19.000 0.185 0.000 0.822 667 A HN 0.509 nan 8.150 nan 0.000 0.444 668 Y N 0.750 121.089 120.300 0.065 0.000 2.053 668 Y HA -0.273 4.300 4.550 0.037 0.000 0.277 668 Y C 2.412 178.306 175.900 -0.009 0.000 1.159 668 Y CA 2.368 60.475 58.100 0.011 0.000 1.125 668 Y CB -0.588 37.929 38.460 0.095 0.000 0.969 668 Y HN 0.069 nan 8.280 nan 0.000 0.492 669 V N 0.734 120.816 119.914 0.281 0.000 2.278 669 V HA -0.419 3.724 4.120 0.038 0.000 0.251 669 V C 2.410 178.494 176.094 -0.017 0.000 1.062 669 V CA 2.451 64.820 62.300 0.114 0.000 1.038 669 V CB -0.926 31.002 31.823 0.175 0.000 0.646 669 V HN 0.539 nan 8.190 nan 0.000 0.447 670 Q N -0.278 119.555 119.800 0.054 0.000 2.084 670 Q HA -0.143 4.220 4.340 0.038 0.000 0.202 670 Q C 2.308 178.320 176.000 0.021 0.000 0.978 670 Q CA 1.864 57.728 55.803 0.102 0.000 0.844 670 Q CB -0.518 28.366 28.738 0.243 0.000 0.898 670 Q HN 0.685 nan 8.270 nan 0.000 0.426 671 G N 0.280 108.902 108.800 -0.297 0.000 2.459 671 G HA2 -0.312 3.670 3.960 0.038 0.000 0.217 671 G HA3 -0.312 3.670 3.960 0.038 0.000 0.217 671 G C 1.441 176.116 174.900 -0.374 0.000 1.183 671 G CA 1.005 45.604 45.100 -0.835 0.000 0.776 671 G HN 0.501 nan 8.290 nan 0.000 0.552 672 A N 0.901 123.461 122.820 -0.435 0.000 1.908 672 A HA 0.113 4.456 4.320 0.038 0.000 0.218 672 A C 2.754 180.250 177.584 -0.147 0.000 1.181 672 A CA 2.196 54.034 52.037 -0.333 0.000 0.627 672 A CB -1.210 17.535 19.000 -0.425 0.000 0.818 672 A HN 0.649 nan 8.150 nan 0.000 0.445 673 G N -1.661 107.084 108.800 -0.093 0.000 2.475 673 G HA2 -0.323 3.660 3.960 0.038 0.000 0.220 673 G HA3 -0.323 3.660 3.960 0.038 0.000 0.220 673 G C 1.332 176.252 174.900 0.034 0.000 1.125 673 G CA 1.200 46.276 45.100 -0.040 0.000 0.755 673 G HN 0.713 nan 8.290 nan 0.000 0.565 674 W N 0.900 122.100 121.300 -0.167 0.000 2.425 674 W HA 0.161 4.845 4.660 0.039 0.000 0.277 674 W C 1.541 177.981 176.519 -0.132 0.000 1.231 674 W CA 0.595 57.852 57.345 -0.146 0.000 1.248 674 W CB -0.104 29.266 29.460 -0.151 0.000 1.117 674 W HN 0.112 nan 8.180 nan 0.000 0.568 675 L N 0.873 121.948 121.223 -0.247 0.000 2.818 675 L HA 0.199 4.562 4.340 0.038 0.000 0.243 675 L C 1.297 178.099 176.870 -0.113 0.000 1.185 675 L CA 0.808 55.424 54.840 -0.374 0.000 0.988 675 L CB -0.584 41.255 42.059 -0.367 0.000 1.292 675 L HN -0.016 nan 8.230 nan 0.000 0.519 676 T N -5.933 108.556 114.554 -0.108 0.000 3.464 676 T HA -0.026 4.347 4.350 0.038 0.000 0.222 676 T C 1.385 176.026 174.700 -0.098 0.000 0.982 676 T CA 0.729 62.782 62.100 -0.078 0.000 1.132 676 T CB -0.004 68.817 68.868 -0.079 0.000 1.226 676 T HN 0.049 nan 8.240 nan 0.000 0.346 677 T N -0.143 114.335 114.554 -0.127 0.000 3.054 677 T HA 0.335 4.708 4.350 0.038 0.000 0.255 677 T C 0.332 174.891 174.700 -0.234 0.000 1.035 677 T CA -0.260 61.746 62.100 -0.157 0.000 0.941 677 T CB -0.251 68.519 68.868 -0.163 0.000 1.026 677 T HN 0.428 nan 8.240 nan 0.000 0.533 678 E N 2.178 122.234 120.200 -0.239 0.000 2.166 678 E HA 0.286 4.659 4.350 0.038 0.000 0.279 678 E C -0.315 176.184 176.600 -0.168 0.000 1.095 678 E CA -0.008 56.161 56.400 -0.385 0.000 0.888 678 E CB 0.519 30.089 29.700 -0.216 0.000 1.041 678 E HN 0.572 nan 8.360 nan 0.000 0.414 679 E N 4.539 124.644 120.200 -0.159 0.000 2.263 679 E HA 0.265 4.638 4.350 0.038 0.000 0.268 679 E C -1.386 175.299 176.600 0.142 0.000 0.884 679 E CA -0.576 55.849 56.400 0.041 0.000 0.766 679 E CB 0.994 30.684 29.700 -0.017 0.000 1.196 679 E HN 0.360 nan 8.360 nan 0.000 0.416 680 L N 3.761 125.053 121.223 0.115 0.000 2.325 680 L HA 0.602 4.965 4.340 0.038 0.000 0.279 680 L C -0.790 175.966 176.870 -0.189 0.000 1.054 680 L CA -0.914 53.875 54.840 -0.085 0.000 0.804 680 L CB 1.711 43.652 42.059 -0.197 0.000 1.200 680 L HN 0.405 nan 8.230 nan 0.000 0.436 681 V N 1.543 121.237 119.914 -0.367 0.000 2.686 681 V HA 0.432 4.575 4.120 0.038 0.000 0.306 681 V C -0.874 175.007 176.094 -0.355 0.000 1.065 681 V CA -0.699 61.480 62.300 -0.202 0.000 0.894 681 V CB 2.168 33.959 31.823 -0.053 0.000 1.004 681 V HN 0.608 nan 8.190 nan 0.000 0.424 682 W N 2.325 123.651 121.300 0.043 0.000 2.647 682 W HA 0.485 5.168 4.660 0.037 0.000 0.353 682 W C -0.222 176.309 176.519 0.021 0.000 1.080 682 W CA -0.411 56.947 57.345 0.021 0.000 1.208 682 W CB 2.122 31.589 29.460 0.012 0.000 1.396 682 W HN 0.754 nan 8.180 nan 0.000 0.573 683 D N -0.741 119.795 120.400 0.227 0.000 2.506 683 D HA -0.007 4.655 4.640 0.038 0.000 0.272 683 D C 1.418 177.771 176.300 0.088 0.000 1.214 683 D CA -0.034 54.057 54.000 0.152 0.000 1.067 683 D CB 0.029 40.881 40.800 0.086 0.000 1.117 683 D HN 0.478 nan 8.370 nan 0.000 0.578 684 H N -1.157 117.954 119.070 0.068 0.000 2.521 684 H HA -0.000 4.579 4.556 0.038 0.000 0.286 684 H C 0.856 176.202 175.328 0.030 0.000 1.034 684 H CA 0.397 56.472 56.048 0.045 0.000 1.278 684 H CB -0.852 28.926 29.762 0.027 0.000 1.386 684 H HN 0.267 nan 8.280 nan 0.000 0.567 685 C N 0.937 119.792 119.300 -0.743 0.000 2.693 685 C HA 0.456 4.939 4.460 0.038 0.000 0.286 685 C C 1.875 176.753 174.990 -0.186 0.000 1.277 685 C CA 0.397 59.169 59.018 -0.409 0.000 1.705 685 C CB -0.726 26.738 27.740 -0.461 0.000 1.879 685 C HN 0.922 nan 8.230 nan 0.000 0.607 686 G N 1.153 109.899 108.800 -0.090 0.000 2.175 686 G HA2 -0.199 3.784 3.960 0.038 0.000 0.244 686 G HA3 -0.199 3.784 3.960 0.038 0.000 0.244 686 G C 0.139 175.153 174.900 0.190 0.000 0.982 686 G CA -0.463 44.640 45.100 0.006 0.000 0.641 686 G HN 0.565 nan 8.290 nan 0.000 0.527 687 R N -0.149 120.417 120.500 0.110 0.000 2.491 687 R HA 0.433 4.796 4.340 0.038 0.000 0.283 687 R C 0.221 176.630 176.300 0.183 0.000 1.072 687 R CA -0.719 55.446 56.100 0.109 0.000 1.048 687 R CB 0.934 31.212 30.300 -0.036 0.000 0.983 687 R HN 0.203 nan 8.270 nan 0.000 0.450 688 L N 4.033 125.306 121.223 0.083 0.000 2.433 688 L HA -0.005 4.358 4.340 0.038 0.000 0.275 688 L C 0.810 177.523 176.870 -0.261 0.000 1.128 688 L CA 0.602 55.282 54.840 -0.268 0.000 0.875 688 L CB 0.656 42.599 42.059 -0.194 0.000 1.171 688 L HN 0.688 nan 8.230 nan 0.000 0.463 689 M N 2.314 121.775 119.600 -0.232 0.000 2.388 689 M HA 0.081 4.583 4.480 0.038 0.000 0.265 689 M C 0.820 177.146 176.300 0.042 0.000 1.088 689 M CA 0.628 55.876 55.300 -0.086 0.000 1.134 689 M CB -1.166 31.414 32.600 -0.033 0.000 1.384 689 M HN 0.692 nan 8.290 nan 0.000 0.447 690 T N 0.075 114.606 114.554 -0.038 0.000 2.929 690 T HA 0.399 4.771 4.350 0.038 0.000 0.331 690 T C -0.166 174.592 174.700 0.096 0.000 1.120 690 T CA -0.615 61.521 62.100 0.060 0.000 0.973 690 T CB -0.252 68.621 68.868 0.008 0.000 1.036 690 T HN 0.454 nan 8.240 nan 0.000 0.502 691 H N 1.330 120.379 119.070 -0.036 0.000 2.597 691 H HA 0.665 5.244 4.556 0.038 0.000 0.225 691 H C -0.743 174.608 175.328 0.038 0.000 1.422 691 H CA -0.902 55.132 56.048 -0.023 0.000 1.335 691 H CB -0.302 29.444 29.762 -0.027 0.000 1.783 691 H HN 0.978 nan 8.280 nan 0.000 0.513 692 A N 1.681 124.475 122.820 -0.043 0.000 2.611 692 A HA 0.313 4.656 4.320 0.038 0.000 0.302 692 A C -2.725 174.895 177.584 0.061 0.000 0.947 692 A CA -0.930 51.085 52.037 -0.037 0.000 0.697 692 A CB 0.340 19.195 19.000 -0.241 0.000 1.247 692 A HN 0.112 nan 8.150 nan 0.000 0.403 693 P HA -0.135 nan 4.420 nan 0.000 0.219 693 P C 1.651 178.939 177.300 -0.019 0.000 1.146 693 P CA 2.241 65.353 63.100 0.019 0.000 0.808 693 P CB 0.002 31.766 31.700 0.108 0.000 0.779 694 S N -1.182 114.515 115.700 -0.005 0.000 2.447 694 S HA -0.097 4.396 4.470 0.038 0.000 0.233 694 S C 1.597 176.184 174.600 -0.022 0.000 1.006 694 S CA 1.755 59.944 58.200 -0.019 0.000 0.957 694 S CB -1.640 61.549 63.200 -0.018 0.000 0.773 694 S HN 0.320 nan 8.310 nan 0.000 0.507 695 T N -3.564 110.985 114.554 -0.008 0.000 3.003 695 T HA 0.293 4.665 4.350 0.038 0.000 0.261 695 T C -0.155 174.565 174.700 0.033 0.000 1.003 695 T CA -0.476 61.629 62.100 0.007 0.000 0.917 695 T CB -0.330 68.556 68.868 0.030 0.000 1.084 695 T HN 0.398 nan 8.240 nan 0.000 0.522 696 Y N 2.042 122.284 120.300 -0.097 0.000 2.335 696 Y HA 0.635 5.208 4.550 0.038 0.000 0.338 696 Y C -1.094 174.693 175.900 -0.188 0.000 0.977 696 Y CA -1.372 56.655 58.100 -0.121 0.000 1.114 696 Y CB 1.189 39.585 38.460 -0.106 0.000 1.182 696 Y HN -0.239 nan 8.280 nan 0.000 0.463 697 K N 8.134 128.200 120.400 -0.558 0.000 2.478 697 K HA 0.319 4.661 4.320 0.038 0.000 0.236 697 K C -0.629 175.700 176.600 -0.450 0.000 1.021 697 K CA -0.392 55.654 56.287 -0.402 0.000 1.010 697 K CB -0.146 32.188 32.500 -0.277 0.000 1.331 697 K HN 0.744 nan 8.250 nan 0.000 0.470 698 I N -0.827 119.501 120.570 -0.404 0.000 2.945 698 I HA 0.412 4.605 4.170 0.038 0.000 0.292 698 I C -1.712 174.307 176.117 -0.162 0.000 1.093 698 I CA -2.480 58.661 61.300 -0.265 0.000 1.336 698 I CB 0.064 37.941 38.000 -0.204 0.000 1.435 698 I HN 0.212 nan 8.210 nan 0.000 0.593 699 P HA 0.031 nan 4.420 nan 0.000 0.258 699 P C -0.647 176.637 177.300 -0.026 0.000 1.172 699 P CA 0.384 63.450 63.100 -0.057 0.000 0.762 699 P CB 0.304 31.985 31.700 -0.031 0.000 0.764 700 A N 3.367 126.184 122.820 -0.006 0.000 2.264 700 A HA 0.324 4.667 4.320 0.038 0.000 0.304 700 A C 1.053 178.704 177.584 0.111 0.000 1.100 700 A CA -0.549 51.520 52.037 0.053 0.000 0.839 700 A CB -0.089 18.940 19.000 0.048 0.000 1.121 700 A HN 0.549 nan 8.150 nan 0.000 0.496 701 F N 1.612 121.575 119.950 0.022 0.000 2.085 701 F HA -0.321 4.228 4.527 0.037 0.000 0.299 701 F C 2.722 178.543 175.800 0.034 0.000 1.096 701 F CA 3.047 61.069 58.000 0.037 0.000 1.227 701 F CB 0.052 39.072 39.000 0.033 0.000 0.983 701 F HN 0.588 nan 8.300 nan 0.000 0.482 702 S N -0.738 115.169 115.700 0.346 0.000 2.481 702 S HA -0.152 4.340 4.470 0.038 0.000 0.231 702 S C 1.440 176.104 174.600 0.106 0.000 0.996 702 S CA 1.139 59.481 58.200 0.236 0.000 0.942 702 S CB -0.637 62.653 63.200 0.150 0.000 0.768 702 S HN 0.457 nan 8.310 nan 0.000 0.520 703 D N 2.075 122.510 120.400 0.059 0.000 2.378 703 D HA -0.039 4.623 4.640 0.038 0.000 0.222 703 D C 0.908 177.204 176.300 -0.006 0.000 0.980 703 D CA 0.401 54.408 54.000 0.011 0.000 0.907 703 D CB -0.427 40.365 40.800 -0.013 0.000 0.899 703 D HN 0.753 nan 8.370 nan 0.000 0.527 704 R N 1.268 121.763 120.500 -0.010 0.000 2.640 704 R HA 0.198 4.560 4.340 0.038 0.000 0.270 704 R C -2.601 173.684 176.300 -0.025 0.000 1.024 704 R CA -1.059 55.032 56.100 -0.015 0.000 1.085 704 R CB -0.728 29.543 30.300 -0.049 0.000 0.963 704 R HN -0.196 nan 8.270 nan 0.000 0.426 705 P HA -0.020 nan 4.420 nan 0.000 0.262 705 P C -0.080 177.195 177.300 -0.041 0.000 1.182 705 P CA -0.142 62.855 63.100 -0.172 0.000 0.761 705 P CB 0.591 31.979 31.700 -0.520 0.000 0.795 706 R N 2.507 122.995 120.500 -0.020 0.000 2.148 706 R HA 0.106 4.469 4.340 0.038 0.000 0.227 706 R C 0.748 177.072 176.300 0.040 0.000 1.103 706 R CA 0.897 57.011 56.100 0.025 0.000 0.983 706 R CB -0.379 29.929 30.300 0.013 0.000 0.874 706 R HN 0.524 nan 8.270 nan 0.000 0.451 707 I N 0.167 120.746 120.570 0.015 0.000 2.439 707 I HA 0.255 4.447 4.170 0.038 0.000 0.285 707 I C -1.063 175.096 176.117 0.072 0.000 1.021 707 I CA -0.508 60.821 61.300 0.047 0.000 1.091 707 I CB 1.869 39.879 38.000 0.017 0.000 1.242 707 I HN -0.125 nan 8.210 nan 0.000 0.439 708 F N 6.618 126.528 119.950 -0.067 0.000 2.646 708 F HA 0.427 4.977 4.527 0.038 0.000 0.364 708 F C -0.553 175.193 175.800 -0.090 0.000 1.137 708 F CA -0.928 57.008 58.000 -0.108 0.000 1.085 708 F CB 0.864 39.802 39.000 -0.105 0.000 1.331 708 F HN 0.447 nan 8.300 nan 0.000 0.472 709 N N 4.986 123.808 118.700 0.204 0.000 2.425 709 N HA 0.416 5.179 4.740 0.038 0.000 0.268 709 N C -1.078 174.478 175.510 0.075 0.000 0.991 709 N CA -0.315 52.787 53.050 0.087 0.000 0.931 709 N CB 2.542 41.060 38.487 0.051 0.000 1.130 709 N HN 0.185 nan 8.380 nan 0.000 0.493 710 V N 0.851 120.771 119.914 0.011 0.000 2.531 710 V HA 0.877 5.020 4.120 0.038 0.000 0.301 710 V C -0.210 175.893 176.094 0.015 0.000 1.034 710 V CA -0.749 61.555 62.300 0.007 0.000 0.865 710 V CB 1.342 33.117 31.823 -0.079 0.000 0.995 710 V HN 0.815 nan 8.190 nan 0.000 0.424 711 A N 4.843 127.695 122.820 0.053 0.000 2.566 711 A HA 0.947 5.290 4.320 0.038 0.000 0.292 711 A C -1.447 176.205 177.584 0.113 0.000 1.112 711 A CA -0.674 51.401 52.037 0.064 0.000 0.707 711 A CB 1.632 20.668 19.000 0.060 0.000 1.302 711 A HN 0.712 nan 8.150 nan 0.000 0.409 712 L N 0.922 122.214 121.223 0.115 0.000 2.331 712 L HA 0.389 4.752 4.340 0.038 0.000 0.275 712 L C -0.278 176.732 176.870 0.234 0.000 1.022 712 L CA -0.494 54.450 54.840 0.173 0.000 0.812 712 L CB 1.537 43.670 42.059 0.124 0.000 1.257 712 L HN 0.842 nan 8.230 nan 0.000 0.435 713 W N 3.756 125.078 121.300 0.037 0.000 2.356 713 W HA 0.098 4.780 4.660 0.037 0.000 0.311 713 W C -0.755 175.771 176.519 0.012 0.000 1.328 713 W CA -0.163 57.189 57.345 0.012 0.000 1.251 713 W CB 1.206 30.663 29.460 -0.005 0.000 1.280 713 W HN 0.495 nan 8.180 nan 0.000 0.524 714 D N 5.408 125.666 120.400 -0.237 0.000 2.485 714 D HA 0.195 4.858 4.640 0.038 0.000 0.221 714 D C -0.741 175.335 176.300 -0.374 0.000 1.112 714 D CA 0.284 54.159 54.000 -0.208 0.000 0.911 714 D CB 0.513 41.231 40.800 -0.137 0.000 1.019 714 D HN 0.356 nan 8.370 nan 0.000 0.516 715 Q N 2.761 122.388 119.800 -0.289 0.000 2.289 715 Q HA 0.345 4.708 4.340 0.038 0.000 0.270 715 Q C -2.493 173.481 176.000 -0.042 0.000 1.038 715 Q CA -1.971 53.700 55.803 -0.220 0.000 0.812 715 Q CB 2.692 31.257 28.738 -0.287 0.000 1.300 715 Q HN 0.228 nan 8.270 nan 0.000 0.427 716 P HA -0.099 nan 4.420 nan 0.000 0.269 716 P C -0.709 176.586 177.300 -0.008 0.000 1.211 716 P CA -0.006 63.080 63.100 -0.022 0.000 0.781 716 P CB 0.548 32.232 31.700 -0.026 0.000 0.877 717 N N 1.730 120.403 118.700 -0.044 0.000 2.518 717 N HA 0.089 4.851 4.740 0.038 0.000 0.283 717 N C 1.106 176.586 175.510 -0.051 0.000 1.119 717 N CA -0.164 52.838 53.050 -0.081 0.000 0.983 717 N CB 0.577 38.916 38.487 -0.246 0.000 1.139 717 N HN 0.198 nan 8.380 nan 0.000 0.465 718 R N 1.093 121.588 120.500 -0.008 0.000 2.091 718 R HA -0.056 4.306 4.340 0.038 0.000 0.238 718 R C 0.037 176.333 176.300 -0.006 0.000 1.136 718 R CA 1.060 57.167 56.100 0.012 0.000 0.959 718 R CB -0.059 30.273 30.300 0.053 0.000 0.856 718 R HN 0.659 nan 8.270 nan 0.000 0.437 719 E N 1.281 121.467 120.200 -0.025 0.000 2.373 719 E HA 0.030 4.403 4.350 0.038 0.000 0.263 719 E C -0.470 176.099 176.600 -0.051 0.000 1.073 719 E CA 0.027 56.420 56.400 -0.012 0.000 0.894 719 E CB 0.637 30.357 29.700 0.033 0.000 1.008 719 E HN 0.148 nan 8.360 nan 0.000 0.420 720 E N 1.559 121.750 120.200 -0.015 0.000 1.842 720 E HA 0.047 4.420 4.350 0.038 0.000 0.278 720 E C -0.200 176.377 176.600 -0.038 0.000 1.171 720 E CA -0.103 56.278 56.400 -0.031 0.000 1.127 720 E CB 0.011 29.709 29.700 -0.004 0.000 1.100 720 E HN 0.354 nan 8.360 nan 0.000 0.456 721 T N -0.731 113.767 114.554 -0.094 0.000 2.952 721 T HA 0.308 4.681 4.350 0.038 0.000 0.286 721 T C 0.417 175.032 174.700 -0.142 0.000 1.024 721 T CA -1.058 60.976 62.100 -0.110 0.000 1.029 721 T CB 1.139 69.920 68.868 -0.145 0.000 1.094 721 T HN 0.183 nan 8.240 nan 0.000 0.515 722 I N 2.592 123.068 120.570 -0.157 0.000 3.192 722 I HA 0.022 4.215 4.170 0.038 0.000 0.314 722 I C 0.012 176.149 176.117 0.034 0.000 1.243 722 I CA -0.483 60.749 61.300 -0.113 0.000 1.404 722 I CB -1.708 36.259 38.000 -0.055 0.000 1.374 722 I HN 0.735 nan 8.210 nan 0.000 0.522 723 F N 6.855 126.756 119.950 -0.083 0.000 3.056 723 F HA -0.328 4.221 4.527 0.037 0.000 0.266 723 F C 1.234 176.992 175.800 -0.071 0.000 0.957 723 F CA 1.039 58.998 58.000 -0.068 0.000 0.894 723 F CB -1.647 37.316 39.000 -0.062 0.000 0.832 723 F HN 0.680 nan 8.300 nan 0.000 0.745 724 R N -2.153 118.338 120.500 -0.017 0.000 3.627 724 R HA -0.227 4.135 4.340 0.038 0.000 0.281 724 R C 0.719 176.997 176.300 -0.037 0.000 1.140 724 R CA 0.915 56.987 56.100 -0.048 0.000 0.761 724 R CB -2.441 27.842 30.300 -0.029 0.000 1.181 724 R HN 0.607 nan 8.270 nan 0.000 0.472 725 S N -0.067 115.623 115.700 -0.017 0.000 2.661 725 S HA 0.611 5.104 4.470 0.038 0.000 0.265 725 S C 0.156 174.713 174.600 -0.073 0.000 1.225 725 S CA -0.603 57.589 58.200 -0.013 0.000 0.986 725 S CB 2.259 65.470 63.200 0.018 0.000 1.008 725 S HN 0.265 nan 8.310 nan 0.000 0.565 726 K N -0.146 120.250 120.400 -0.007 0.000 2.468 726 K HA 0.609 4.952 4.320 0.038 0.000 0.252 726 K C -0.641 176.044 176.600 0.143 0.000 0.932 726 K CA -0.666 55.650 56.287 0.048 0.000 0.794 726 K CB 2.023 34.586 32.500 0.105 0.000 1.241 726 K HN 0.895 nan 8.250 nan 0.000 0.428 727 A N 1.623 124.576 122.820 0.222 0.000 2.603 727 A HA 0.018 4.361 4.320 0.038 0.000 0.235 727 A C 0.516 178.150 177.584 0.083 0.000 1.035 727 A CA 0.336 52.441 52.037 0.114 0.000 0.755 727 A CB 0.262 19.312 19.000 0.084 0.000 0.954 727 A HN 0.562 nan 8.150 nan 0.000 0.511 728 V N 2.680 122.608 119.914 0.023 0.000 3.355 728 V HA 0.335 4.477 4.120 0.038 0.000 0.330 728 V C 1.276 177.334 176.094 -0.059 0.000 1.479 728 V CA 0.900 63.212 62.300 0.020 0.000 1.150 728 V CB 0.015 31.864 31.823 0.044 0.000 1.044 728 V HN 1.149 nan 8.190 nan 0.000 0.501 729 G N 0.063 108.812 108.800 -0.086 0.000 2.411 729 G HA2 -0.034 3.949 3.960 0.038 0.000 0.213 729 G HA3 -0.034 3.949 3.960 0.038 0.000 0.213 729 G C 1.079 175.898 174.900 -0.134 0.000 1.166 729 G CA 1.031 46.077 45.100 -0.089 0.000 0.802 729 G HN 0.585 nan 8.290 nan 0.000 0.533 730 E N 0.633 120.666 120.200 -0.280 0.000 2.079 730 E HA 0.023 4.396 4.350 0.038 0.000 0.191 730 E C -0.410 175.879 176.600 -0.519 0.000 0.961 730 E CA 0.015 56.162 56.400 -0.421 0.000 0.823 730 E CB -0.491 28.838 29.700 -0.619 0.000 0.789 730 E HN 0.139 nan 8.360 nan 0.000 0.459 731 P HA -0.234 nan 4.420 nan 0.000 0.218 731 P C -1.600 175.651 177.300 -0.082 0.000 1.132 731 P CA 2.620 65.442 63.100 -0.464 0.000 0.968 731 P CB -1.288 30.373 31.700 -0.065 0.000 0.783 732 P HA -0.197 nan 4.420 nan 0.000 0.218 732 P C 1.523 178.839 177.300 0.028 0.000 1.146 732 P CA 1.214 64.231 63.100 -0.138 0.000 0.813 732 P CB -0.759 30.767 31.700 -0.290 0.000 0.778 733 F N 0.597 120.481 119.950 -0.109 0.000 2.202 733 F HA -0.173 4.377 4.527 0.039 0.000 0.301 733 F C 1.706 177.482 175.800 -0.039 0.000 1.082 733 F CA 1.286 59.243 58.000 -0.071 0.000 1.313 733 F CB -0.819 38.113 39.000 -0.114 0.000 1.024 733 F HN -0.255 nan 8.300 nan 0.000 0.495 734 L N 0.086 121.347 121.223 0.064 0.000 2.456 734 L HA -0.122 4.241 4.340 0.038 0.000 0.224 734 L C 1.902 178.755 176.870 -0.028 0.000 1.148 734 L CA 0.942 55.795 54.840 0.022 0.000 0.825 734 L CB -0.852 41.294 42.059 0.145 0.000 0.937 734 L HN 0.176 nan 8.230 nan 0.000 0.450 735 L N -0.956 120.268 121.223 0.003 0.000 2.456 735 L HA -0.072 4.291 4.340 0.038 0.000 0.224 735 L C 2.487 179.316 176.870 -0.069 0.000 1.148 735 L CA 0.873 55.760 54.840 0.078 0.000 0.825 735 L CB -1.077 41.129 42.059 0.245 0.000 0.937 735 L HN 0.345 nan 8.230 nan 0.000 0.450 736 G N 0.442 109.046 108.800 -0.327 0.000 2.450 736 G HA2 -0.236 3.747 3.960 0.038 0.000 0.220 736 G HA3 -0.236 3.747 3.960 0.038 0.000 0.220 736 G C 1.602 176.349 174.900 -0.255 0.000 1.130 736 G CA 0.610 45.397 45.100 -0.522 0.000 0.760 736 G HN 0.331 nan 8.290 nan 0.000 0.557 737 I N 1.742 122.240 120.570 -0.120 0.000 2.151 737 I HA -0.304 3.888 4.170 0.038 0.000 0.243 737 I C 3.206 179.344 176.117 0.035 0.000 1.080 737 I CA 1.695 62.979 61.300 -0.026 0.000 1.339 737 I CB -0.303 37.713 38.000 0.027 0.000 1.039 737 I HN 0.380 nan 8.210 nan 0.000 0.409 738 S N 1.326 117.051 115.700 0.042 0.000 2.400 738 S HA -0.320 4.173 4.470 0.038 0.000 0.234 738 S C 2.186 176.824 174.600 0.064 0.000 1.049 738 S CA 1.430 59.677 58.200 0.078 0.000 1.039 738 S CB -0.699 62.565 63.200 0.105 0.000 0.856 738 S HN 0.464 nan 8.310 nan 0.000 0.465 739 A N 0.670 123.494 122.820 0.006 0.000 1.933 739 A HA 0.082 4.424 4.320 0.038 0.000 0.218 739 A C 2.010 179.617 177.584 0.038 0.000 1.175 739 A CA 1.443 53.478 52.037 -0.003 0.000 0.628 739 A CB -1.075 17.868 19.000 -0.095 0.000 0.814 739 A HN 0.675 nan 8.150 nan 0.000 0.444 740 F N -0.080 119.803 119.950 -0.112 0.000 2.146 740 F HA -0.091 4.459 4.527 0.038 0.000 0.298 740 F C 1.812 177.581 175.800 -0.051 0.000 1.096 740 F CA 1.187 59.125 58.000 -0.104 0.000 1.275 740 F CB -0.144 38.771 39.000 -0.142 0.000 1.008 740 F HN 0.140 nan 8.300 nan 0.000 0.480 741 L N 0.636 121.956 121.223 0.162 0.000 2.043 741 L HA -0.195 4.168 4.340 0.038 0.000 0.212 741 L C 2.655 179.544 176.870 0.032 0.000 1.075 741 L CA 2.023 56.903 54.840 0.067 0.000 0.752 741 L CB -1.803 40.313 42.059 0.095 0.000 0.891 741 L HN 0.274 nan 8.230 nan 0.000 0.432 742 A N -1.569 121.267 122.820 0.027 0.000 1.897 742 A HA -0.139 4.204 4.320 0.038 0.000 0.215 742 A C 2.133 179.693 177.584 -0.041 0.000 1.181 742 A CA 1.053 53.102 52.037 0.022 0.000 0.620 742 A CB -0.670 18.344 19.000 0.023 0.000 0.821 742 A HN 0.307 nan 8.150 nan 0.000 0.443 743 L N -0.091 121.067 121.223 -0.109 0.000 2.129 743 L HA -0.215 4.147 4.340 0.038 0.000 0.212 743 L C 2.311 179.060 176.870 -0.202 0.000 1.087 743 L CA 2.539 57.274 54.840 -0.176 0.000 0.757 743 L CB -1.304 40.603 42.059 -0.253 0.000 0.896 743 L HN 0.804 nan 8.230 nan 0.000 0.434 744 H N -2.291 116.571 119.070 -0.347 0.000 2.482 744 H HA -0.093 4.486 4.556 0.038 0.000 0.286 744 H C 1.976 177.193 175.328 -0.185 0.000 1.017 744 H CA 1.198 57.041 56.048 -0.341 0.000 1.322 744 H CB 0.128 29.637 29.762 -0.421 0.000 1.426 744 H HN 0.279 nan 8.280 nan 0.000 0.546 745 D N 0.559 120.991 120.400 0.053 0.000 2.123 745 D HA -0.180 4.483 4.640 0.038 0.000 0.196 745 D C 2.272 178.501 176.300 -0.120 0.000 0.992 745 D CA 1.633 55.634 54.000 0.002 0.000 0.833 745 D CB -0.426 40.415 40.800 0.068 0.000 0.954 745 D HN 0.553 nan 8.370 nan 0.000 0.455 746 A N -0.262 122.493 122.820 -0.109 0.000 1.858 746 A HA -0.197 4.145 4.320 0.038 0.000 0.216 746 A C 2.691 180.189 177.584 -0.144 0.000 1.190 746 A CA 1.757 53.737 52.037 -0.093 0.000 0.617 746 A CB -1.145 17.811 19.000 -0.072 0.000 0.827 746 A HN 0.497 nan 8.150 nan 0.000 0.443 747 C N -0.657 118.511 119.300 -0.220 0.000 2.398 747 C HA -0.069 4.413 4.460 0.038 0.000 0.276 747 C C 3.261 178.106 174.990 -0.242 0.000 1.222 747 C CA 0.887 59.763 59.018 -0.236 0.000 1.746 747 C CB -1.630 25.921 27.740 -0.315 0.000 2.039 747 C HN 0.707 nan 8.230 nan 0.000 0.470 748 A N 0.572 123.176 122.820 -0.361 0.000 1.986 748 A HA 0.038 4.380 4.320 0.038 0.000 0.220 748 A C 2.225 179.737 177.584 -0.120 0.000 1.171 748 A CA 1.986 53.871 52.037 -0.254 0.000 0.640 748 A CB -0.740 18.102 19.000 -0.264 0.000 0.811 748 A HN 0.701 nan 8.150 nan 0.000 0.451 749 A N -1.888 120.872 122.820 -0.100 0.000 2.239 749 A HA 0.091 4.433 4.320 0.038 0.000 0.209 749 A C 1.542 179.099 177.584 -0.045 0.000 1.171 749 A CA 1.114 53.121 52.037 -0.049 0.000 0.768 749 A CB -0.922 18.067 19.000 -0.019 0.000 0.790 749 A HN 0.592 nan 8.150 nan 0.000 0.478 750 C N -1.253 118.011 119.300 -0.061 0.000 3.038 750 C HA 0.574 5.056 4.460 0.038 0.000 0.279 750 C C 1.335 176.303 174.990 -0.037 0.000 1.276 750 C CA 0.005 58.996 59.018 -0.045 0.000 1.697 750 C CB -1.056 26.654 27.740 -0.049 0.000 2.032 750 C HN 0.764 nan 8.230 nan 0.000 0.636 751 G N 0.828 109.602 108.800 -0.044 0.000 2.342 751 G HA2 0.450 4.433 3.960 0.038 0.000 0.297 751 G HA3 0.450 4.433 3.960 0.038 0.000 0.297 751 G C -2.917 171.933 174.900 -0.084 0.000 1.313 751 G CA -0.186 44.887 45.100 -0.045 0.000 0.830 751 G HN -0.167 nan 8.290 nan 0.000 0.506 752 P HA 0.262 nan 4.420 nan 0.000 0.282 752 P C -0.097 177.040 177.300 -0.272 0.000 1.327 752 P CA 0.056 63.014 63.100 -0.236 0.000 0.949 752 P CB 0.354 31.860 31.700 -0.324 0.000 1.445 753 H N -1.088 118.023 119.070 0.067 0.000 2.508 753 H HA 0.131 4.710 4.556 0.038 0.000 0.344 753 H C -0.245 175.201 175.328 0.197 0.000 1.192 753 H CA -0.697 55.426 56.048 0.124 0.000 1.290 753 H CB 0.661 30.482 29.762 0.099 0.000 1.571 753 H HN 0.145 nan 8.280 nan 0.000 0.555 754 W N 3.758 125.144 121.300 0.144 0.000 2.489 754 W HA 0.018 4.701 4.660 0.038 0.000 0.327 754 W C -1.936 174.597 176.519 0.023 0.000 1.436 754 W CA -1.716 55.661 57.345 0.053 0.000 1.315 754 W CB 0.548 30.040 29.460 0.054 0.000 1.373 754 W HN 0.481 nan 8.180 nan 0.000 0.557 755 P HA -0.210 nan 4.420 nan 0.000 0.218 755 P C 0.175 177.111 177.300 -0.606 0.000 1.149 755 P CA 1.585 64.436 63.100 -0.414 0.000 0.817 755 P CB 0.066 31.482 31.700 -0.473 0.000 0.785 756 D N -2.067 117.549 120.400 -1.307 0.000 2.689 756 D HA -0.171 4.492 4.640 0.038 0.000 0.237 756 D C -0.534 175.520 176.300 -0.411 0.000 1.148 756 D CA 0.141 53.554 54.000 -0.978 0.000 0.656 756 D CB -1.338 39.203 40.800 -0.432 0.000 1.050 756 D HN 0.010 nan 8.370 nan 0.000 0.426 757 L N 1.194 122.171 121.223 -0.411 0.000 2.477 757 L HA 0.190 4.553 4.340 0.038 0.000 0.272 757 L C 0.416 177.317 176.870 0.051 0.000 1.157 757 L CA 0.400 55.116 54.840 -0.206 0.000 0.889 757 L CB 0.665 42.521 42.059 -0.338 0.000 1.158 757 L HN 0.062 nan 8.230 nan 0.000 0.473 758 Q N 3.878 123.759 119.800 0.135 0.000 2.317 758 Q HA 0.649 5.012 4.340 0.038 0.000 0.229 758 Q C -0.522 175.699 176.000 0.368 0.000 0.984 758 Q CA -0.225 55.757 55.803 0.299 0.000 0.911 758 Q CB 1.278 30.120 28.738 0.173 0.000 1.217 758 Q HN 0.821 nan 8.270 nan 0.000 0.501 759 A N 2.149 125.120 122.820 0.251 0.000 2.350 759 A HA 0.657 5.000 4.320 0.038 0.000 0.324 759 A C -2.341 175.205 177.584 -0.062 0.000 1.118 759 A CA -1.613 50.450 52.037 0.043 0.000 0.783 759 A CB 1.021 19.776 19.000 -0.409 0.000 1.236 759 A HN 0.447 nan 8.150 nan 0.000 0.457 760 P HA 0.227 nan 4.420 nan 0.000 0.280 760 P C 0.133 177.455 177.300 0.036 0.000 1.244 760 P CA 0.036 63.087 63.100 -0.081 0.000 0.784 760 P CB 1.382 33.019 31.700 -0.106 0.000 0.913 761 A N 3.222 126.108 122.820 0.109 0.000 2.849 761 A HA 0.103 4.446 4.320 0.038 0.000 0.246 761 A C 1.134 178.702 177.584 -0.028 0.000 1.820 761 A CA 0.079 52.137 52.037 0.035 0.000 1.512 761 A CB -1.795 17.195 19.000 -0.018 0.000 0.884 761 A HN 0.657 nan 8.150 nan 0.000 0.626 762 T N -2.589 111.947 114.554 -0.030 0.000 2.680 762 T HA 0.207 4.580 4.350 0.038 0.000 0.314 762 T C -1.466 173.205 174.700 -0.047 0.000 1.045 762 T CA -0.715 61.357 62.100 -0.046 0.000 1.025 762 T CB 0.034 68.878 68.868 -0.040 0.000 1.000 762 T HN 0.168 nan 8.240 nan 0.000 0.535 763 P HA -0.096 nan 4.420 nan 0.000 0.215 763 P C 1.613 178.889 177.300 -0.040 0.000 1.157 763 P CA 1.299 64.372 63.100 -0.045 0.000 0.868 763 P CB -0.017 31.660 31.700 -0.039 0.000 0.788 764 E N 0.008 120.190 120.200 -0.031 0.000 2.070 764 E HA -0.274 4.099 4.350 0.038 0.000 0.197 764 E C 1.922 178.505 176.600 -0.028 0.000 1.004 764 E CA 1.717 58.102 56.400 -0.025 0.000 0.805 764 E CB -0.773 28.917 29.700 -0.016 0.000 0.744 764 E HN 0.070 nan 8.360 nan 0.000 0.451 765 A N 0.449 123.253 122.820 -0.027 0.000 1.908 765 A HA -0.158 4.184 4.320 0.038 0.000 0.218 765 A C 2.460 180.011 177.584 -0.055 0.000 1.181 765 A CA 1.709 53.730 52.037 -0.027 0.000 0.627 765 A CB -0.735 18.259 19.000 -0.010 0.000 0.818 765 A HN 0.255 nan 8.150 nan 0.000 0.445 766 V N -0.347 119.525 119.914 -0.069 0.000 2.358 766 V HA -0.209 3.933 4.120 0.038 0.000 0.246 766 V C 2.473 178.516 176.094 -0.084 0.000 1.047 766 V CA 1.836 64.077 62.300 -0.098 0.000 1.035 766 V CB -0.774 30.992 31.823 -0.096 0.000 0.658 766 V HN 0.598 nan 8.190 nan 0.000 0.452 767 L N 0.989 122.176 121.223 -0.061 0.000 2.131 767 L HA -0.071 4.292 4.340 0.038 0.000 0.210 767 L C 2.358 179.197 176.870 -0.052 0.000 1.092 767 L CA 2.237 57.046 54.840 -0.051 0.000 0.759 767 L CB -0.827 41.210 42.059 -0.037 0.000 0.903 767 L HN 0.217 nan 8.230 nan 0.000 0.435 768 A N -0.639 122.150 122.820 -0.051 0.000 1.930 768 A HA 0.018 4.360 4.320 0.038 0.000 0.217 768 A C 2.426 179.968 177.584 -0.070 0.000 1.175 768 A CA 1.369 53.378 52.037 -0.048 0.000 0.627 768 A CB -0.953 18.026 19.000 -0.035 0.000 0.815 768 A HN 0.538 nan 8.150 nan 0.000 0.443 769 A N -0.645 122.115 122.820 -0.100 0.000 1.969 769 A HA 0.091 4.434 4.320 0.038 0.000 0.218 769 A C 2.188 179.695 177.584 -0.128 0.000 1.169 769 A CA 1.516 53.465 52.037 -0.146 0.000 0.635 769 A CB -0.700 18.175 19.000 -0.209 0.000 0.810 769 A HN 0.305 nan 8.150 nan 0.000 0.445 770 V N 0.452 120.305 119.914 -0.101 0.000 2.261 770 V HA -0.272 3.871 4.120 0.038 0.000 0.246 770 V C 2.670 178.732 176.094 -0.053 0.000 1.047 770 V CA 2.178 64.429 62.300 -0.082 0.000 1.015 770 V CB -0.755 31.028 31.823 -0.067 0.000 0.642 770 V HN 0.547 nan 8.190 nan 0.000 0.446 771 R N -0.206 120.269 120.500 -0.043 0.000 2.103 771 R HA -0.213 4.149 4.340 0.038 0.000 0.242 771 R C 2.442 178.734 176.300 -0.013 0.000 1.142 771 R CA 1.748 57.834 56.100 -0.023 0.000 0.960 771 R CB -0.561 29.725 30.300 -0.023 0.000 0.858 771 R HN 0.475 nan 8.270 nan 0.000 0.439 772 R N 0.353 120.835 120.500 -0.029 0.000 2.083 772 R HA -0.113 4.250 4.340 0.038 0.000 0.237 772 R C 2.342 178.669 176.300 0.045 0.000 1.137 772 R CA 1.623 57.714 56.100 -0.015 0.000 0.951 772 R CB -0.368 29.906 30.300 -0.044 0.000 0.851 772 R HN 0.252 nan 8.270 nan 0.000 0.434 773 A N 0.595 123.427 122.820 0.020 0.000 2.014 773 A HA -0.128 4.215 4.320 0.038 0.000 0.218 773 A C 1.706 179.358 177.584 0.114 0.000 1.163 773 A CA 1.066 53.147 52.037 0.074 0.000 0.652 773 A CB -0.155 18.829 19.000 -0.027 0.000 0.808 773 A HN 0.313 nan 8.150 nan 0.000 0.449 774 E N -1.543 118.696 120.200 0.065 0.000 2.358 774 E HA 0.158 4.531 4.350 0.038 0.000 0.195 774 E C 1.221 177.896 176.600 0.124 0.000 1.010 774 E CA 0.354 56.792 56.400 0.062 0.000 0.856 774 E CB -0.110 29.600 29.700 0.017 0.000 0.795 774 E HN 0.726 nan 8.360 nan 0.000 0.504 775 G N 1.805 110.693 108.800 0.147 0.000 2.143 775 G HA2 -0.330 3.653 3.960 0.038 0.000 0.249 775 G HA3 -0.330 3.653 3.960 0.038 0.000 0.249 775 G C 0.453 175.367 174.900 0.024 0.000 0.981 775 G CA 0.151 45.308 45.100 0.095 0.000 0.665 775 G HN 0.201 nan 8.290 nan 0.000 0.528 776 R N 0.303 120.813 120.500 0.017 0.000 3.541 776 R HA 0.580 4.943 4.340 0.038 0.000 0.277 776 R C 0.939 177.234 176.300 -0.010 0.000 1.539 776 R CA 0.749 56.850 56.100 0.002 0.000 1.338 776 R CB -0.239 30.061 30.300 0.001 0.000 1.343 776 R HN 1.679 nan 8.270 nan 0.000 0.623 777 A N 0.000 122.808 122.820 -0.021 0.000 2.254 777 A HA 0.000 4.343 4.320 0.038 0.000 0.244 777 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 777 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486