REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2w54_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVGKPLPHDS ARAHVTGQAR YLDDLPCPAN TLHLAFGLST EASAAITGLD DATA SEQUENCE LEPVRESPGV IAVFTAADLP HDNDASPAPS PEPVLATGEV HFVGQPIFLV DATA SEQUENCE AATSHRAARI AARKARITYA PRPAILTLDQ ALAADSRFEG GPVIWARGDV DATA SEQUENCE ETALAGAAHL AEGCFEIGGQ EHFYLEGQAA LALPAEGGVV IHCSSQHPSE DATA SEQUENCE IQHKVAHALG LAFHDVRVEM RRMGGGFGGK ESQGNHLAIA CAVAARATGR DATA SEQUENCE PCKMRYDRDD DMVITGKRHD FRIRYRIGAD ASGKLLGADF VHLARCGWSA DATA SEQUENCE DLSLPVCDRA MLHADGSYFV PALRIESHRL RTNTQSNTAF RGFGGPQGAL DATA SEQUENCE GMERAIEHLA RGMGRDPAEL RALNFYDPPE XXXXXXXXXX XXXXXXKKTQ DATA SEQUENCE TTHYGQEVAD CVLGELVTRL QKSANFTTRR AEIAAWNSTN RTLARGIALS DATA SEQUENCE PVKFGISFTL THLNQAGALV QIYTDGSVAL NHGGTEMGQG LHAKMVQVAA DATA SEQUENCE AVLGIDPVQV RITATDTSKV PNTSATAASS GADMNGMAVK DACETLRGRL DATA SEQUENCE AGFVAAREGC AARDVIFDAG QVQASGKSWR FAEIVAAAYM ARISLSATGF DATA SEQUENCE YATPKLSWDR LRGQGRPFLY FAYGAAITEV VIDRLTGENR ILRTDILHDA DATA SEQUENCE GASLNPALDI GQIEGAYVQG AGWLTTEELV WDHCGRLMTH APSTYKIPAF DATA SEQUENCE SDRPRIFNVA LWDQPNREET IFRSKAVGEP PFLLGISAFL ALHDACAACG DATA SEQUENCE PHWPDLQAPA TPEAVLAAVR RAEGRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.490 174.600 -0.183 0.000 1.055 2 S CA 0.000 58.116 58.200 -0.140 0.000 1.107 2 S CB 0.000 63.127 63.200 -0.121 0.000 0.593 3 V N 2.966 122.701 119.914 -0.299 0.000 2.788 3 V HA 0.418 4.565 4.120 0.044 0.000 0.307 3 V C 1.859 177.800 176.094 -0.255 0.000 1.069 3 V CA 1.783 63.862 62.300 -0.369 0.000 1.173 3 V CB 0.296 31.637 31.823 -0.803 0.000 0.925 3 V HN 1.124 nan 8.190 nan 0.000 0.492 4 G N 3.521 112.214 108.800 -0.178 0.000 2.217 4 G HA2 -0.213 3.774 3.960 0.044 0.000 0.246 4 G HA3 -0.213 3.774 3.960 0.044 0.000 0.246 4 G C 0.321 175.171 174.900 -0.083 0.000 0.990 4 G CA 0.106 45.137 45.100 -0.115 0.000 0.627 4 G HN 0.587 nan 8.290 nan 0.000 0.522 5 K N 1.410 121.758 120.400 -0.087 0.000 2.237 5 K HA 0.371 4.717 4.320 0.044 0.000 0.270 5 K C -2.293 174.279 176.600 -0.047 0.000 1.015 5 K CA -1.167 55.083 56.287 -0.061 0.000 0.949 5 K CB 1.371 33.834 32.500 -0.062 0.000 0.976 5 K HN 0.053 nan 8.250 nan 0.000 0.472 6 P HA 0.163 nan 4.420 nan 0.000 0.219 6 P C -0.568 176.723 177.300 -0.014 0.000 1.832 6 P CA -0.041 63.046 63.100 -0.020 0.000 1.014 6 P CB -0.056 31.634 31.700 -0.016 0.000 1.939 7 L N 3.044 124.256 121.223 -0.019 0.000 2.418 7 L HA 0.381 4.747 4.340 0.044 0.000 0.265 7 L C -1.522 175.351 176.870 0.006 0.000 1.143 7 L CA -2.188 52.645 54.840 -0.013 0.000 0.809 7 L CB 0.262 42.304 42.059 -0.028 0.000 1.124 7 L HN 0.059 nan 8.230 nan 0.000 0.456 8 P HA -0.015 nan 4.420 nan 0.000 0.272 8 P C -0.561 176.781 177.300 0.070 0.000 1.230 8 P CA -0.285 62.847 63.100 0.054 0.000 0.788 8 P CB 0.389 32.119 31.700 0.050 0.000 0.949 9 H N 2.303 121.388 119.070 0.024 0.000 3.038 9 H HA -0.093 4.488 4.556 0.042 0.000 0.338 9 H C 1.376 176.701 175.328 -0.005 0.000 1.041 9 H CA 1.057 57.124 56.048 0.032 0.000 1.394 9 H CB 0.583 30.396 29.762 0.084 0.000 1.357 9 H HN 0.564 nan 8.280 nan 0.000 0.600 10 D N 2.027 122.258 120.400 -0.281 0.000 2.190 10 D HA -0.143 4.523 4.640 0.044 0.000 0.200 10 D C 0.433 176.728 176.300 -0.007 0.000 0.992 10 D CA 1.193 55.129 54.000 -0.108 0.000 0.854 10 D CB 0.079 40.813 40.800 -0.111 0.000 0.936 10 D HN 0.267 nan 8.370 nan 0.000 0.462 11 S N -0.330 115.432 115.700 0.105 0.000 2.601 11 S HA 0.471 4.967 4.470 0.044 0.000 0.244 11 S C 1.529 175.818 174.600 -0.518 0.000 1.001 11 S CA 0.013 58.089 58.200 -0.207 0.000 0.984 11 S CB 1.000 64.029 63.200 -0.284 0.000 0.842 11 S HN 0.471 nan 8.310 nan 0.000 0.474 12 A N 2.367 125.093 122.820 -0.156 0.000 1.948 12 A HA -0.183 4.164 4.320 0.044 0.000 0.220 12 A C 2.077 179.639 177.584 -0.037 0.000 1.177 12 A CA 1.601 53.606 52.037 -0.052 0.000 0.636 12 A CB -0.385 18.660 19.000 0.076 0.000 0.815 12 A HN 0.460 nan 8.150 nan 0.000 0.449 13 R N -0.943 119.529 120.500 -0.046 0.000 2.093 13 R HA 0.068 4.434 4.340 0.044 0.000 0.224 13 R C 2.317 178.612 176.300 -0.009 0.000 1.101 13 R CA 1.053 57.148 56.100 -0.009 0.000 0.979 13 R CB -0.302 29.994 30.300 -0.007 0.000 0.877 13 R HN 0.450 nan 8.270 nan 0.000 0.441 14 A N 0.002 122.784 122.820 -0.064 0.000 1.972 14 A HA -0.167 4.180 4.320 0.044 0.000 0.219 14 A C 1.614 179.241 177.584 0.072 0.000 1.169 14 A CA 1.357 53.377 52.037 -0.028 0.000 0.635 14 A CB -0.673 18.284 19.000 -0.072 0.000 0.810 14 A HN 0.517 nan 8.150 nan 0.000 0.446 15 H N -1.808 117.296 119.070 0.058 0.000 2.299 15 H HA -0.061 4.520 4.556 0.042 0.000 0.302 15 H C 2.044 177.412 175.328 0.067 0.000 1.078 15 H CA 1.053 57.145 56.048 0.075 0.000 1.323 15 H CB -0.026 29.765 29.762 0.047 0.000 1.381 15 H HN 0.268 nan 8.280 nan 0.000 0.498 16 V N 1.068 121.091 119.914 0.182 0.000 2.720 16 V HA -0.157 3.989 4.120 0.044 0.000 0.256 16 V C 1.825 177.970 176.094 0.086 0.000 1.082 16 V CA 2.141 64.510 62.300 0.115 0.000 1.101 16 V CB -0.297 31.578 31.823 0.087 0.000 0.693 16 V HN 0.668 nan 8.190 nan 0.000 0.479 17 T N -4.039 110.565 114.554 0.082 0.000 3.132 17 T HA 0.370 4.746 4.350 0.044 0.000 0.274 17 T C 1.393 176.135 174.700 0.070 0.000 1.011 17 T CA 0.516 62.653 62.100 0.062 0.000 0.899 17 T CB 0.643 69.537 68.868 0.043 0.000 1.089 17 T HN 0.757 nan 8.240 nan 0.000 0.543 18 G N 1.971 110.830 108.800 0.098 0.000 2.180 18 G HA2 -0.359 3.627 3.960 0.044 0.000 0.263 18 G HA3 -0.359 3.627 3.960 0.044 0.000 0.263 18 G C 0.777 175.739 174.900 0.102 0.000 0.989 18 G CA 0.791 45.957 45.100 0.110 0.000 0.692 18 G HN 0.591 nan 8.290 nan 0.000 0.526 19 Q N -0.303 119.546 119.800 0.081 0.000 2.331 19 Q HA 0.384 4.750 4.340 0.044 0.000 0.203 19 Q C 1.815 177.839 176.000 0.039 0.000 0.944 19 Q CA 0.528 56.361 55.803 0.050 0.000 0.892 19 Q CB 0.180 28.935 28.738 0.028 0.000 0.983 19 Q HN 0.844 nan 8.270 nan 0.000 0.482 20 A N 1.859 124.717 122.820 0.064 0.000 2.524 20 A HA 0.135 4.481 4.320 0.044 0.000 0.250 20 A C -0.318 177.235 177.584 -0.052 0.000 1.078 20 A CA 0.047 52.080 52.037 -0.006 0.000 0.761 20 A CB 0.109 19.157 19.000 0.080 0.000 1.012 20 A HN 0.196 nan 8.150 nan 0.000 0.500 21 R N 1.424 121.835 120.500 -0.148 0.000 2.404 21 R HA 0.538 4.904 4.340 0.044 0.000 0.291 21 R C -1.128 174.977 176.300 -0.325 0.000 1.025 21 R CA -0.135 55.903 56.100 -0.103 0.000 0.991 21 R CB 0.797 31.058 30.300 -0.065 0.000 1.053 21 R HN 0.755 nan 8.270 nan 0.000 0.479 22 Y N 0.206 120.513 120.300 0.011 0.000 2.730 22 Y HA 0.203 4.781 4.550 0.047 0.000 0.325 22 Y C 1.357 177.247 175.900 -0.017 0.000 1.132 22 Y CA -0.902 57.198 58.100 0.001 0.000 1.206 22 Y CB 0.488 38.944 38.460 -0.005 0.000 1.390 22 Y HN 0.399 nan 8.280 nan 0.000 0.555 23 L N 0.443 121.749 121.223 0.138 0.000 1.989 23 L HA -0.224 4.142 4.340 0.044 0.000 0.211 23 L C 1.640 178.528 176.870 0.029 0.000 1.071 23 L CA 2.346 57.216 54.840 0.049 0.000 0.749 23 L CB -0.268 41.810 42.059 0.031 0.000 0.890 23 L HN 0.806 nan 8.230 nan 0.000 0.431 24 D N -0.660 119.765 120.400 0.042 0.000 2.264 24 D HA -0.187 4.480 4.640 0.044 0.000 0.208 24 D C 1.575 177.893 176.300 0.029 0.000 0.966 24 D CA 1.038 55.050 54.000 0.021 0.000 0.864 24 D CB 0.013 40.810 40.800 -0.004 0.000 0.933 24 D HN 0.452 nan 8.370 nan 0.000 0.499 25 D N -0.300 120.133 120.400 0.055 0.000 2.224 25 D HA -0.033 4.634 4.640 0.044 0.000 0.205 25 D C 0.536 176.843 176.300 0.012 0.000 0.965 25 D CA 0.172 54.201 54.000 0.050 0.000 0.852 25 D CB -0.204 40.654 40.800 0.095 0.000 0.947 25 D HN 0.306 nan 8.370 nan 0.000 0.494 26 L N 3.150 124.364 121.223 -0.015 0.000 2.540 26 L HA 0.083 4.450 4.340 0.044 0.000 0.276 26 L C -1.811 175.031 176.870 -0.046 0.000 1.212 26 L CA -1.145 53.658 54.840 -0.060 0.000 0.893 26 L CB -0.294 41.686 42.059 -0.131 0.000 1.138 26 L HN -0.083 nan 8.230 nan 0.000 0.491 27 P HA 0.209 nan 4.420 nan 0.000 0.275 27 P C -0.929 176.347 177.300 -0.039 0.000 1.228 27 P CA -0.483 62.602 63.100 -0.027 0.000 0.786 27 P CB 1.145 32.832 31.700 -0.022 0.000 0.927 28 C N 0.873 120.162 119.300 -0.019 0.000 3.288 28 C HA 0.689 5.175 4.460 0.044 0.000 0.318 28 C C -2.732 172.255 174.990 -0.005 0.000 1.356 28 C CA -2.261 56.743 59.018 -0.023 0.000 1.359 28 C CB 0.186 27.905 27.740 -0.036 0.000 1.688 28 C HN 0.357 nan 8.230 nan 0.000 0.467 29 P HA 0.310 nan 4.420 nan 0.000 0.269 29 P C 0.870 178.179 177.300 0.014 0.000 1.217 29 P CA 0.438 63.540 63.100 0.003 0.000 0.783 29 P CB 0.403 32.103 31.700 0.001 0.000 0.898 30 A N 2.658 125.491 122.820 0.021 0.000 1.948 30 A HA -0.234 4.112 4.320 0.044 0.000 0.220 30 A C 1.705 179.314 177.584 0.041 0.000 1.177 30 A CA 1.999 54.056 52.037 0.033 0.000 0.636 30 A CB -1.177 17.840 19.000 0.028 0.000 0.815 30 A HN 0.760 nan 8.150 nan 0.000 0.449 31 N N 0.031 118.748 118.700 0.027 0.000 2.515 31 N HA -0.040 4.726 4.740 0.044 0.000 0.185 31 N C -0.033 175.485 175.510 0.014 0.000 1.109 31 N CA 0.970 54.036 53.050 0.027 0.000 0.903 31 N CB -1.437 37.062 38.487 0.020 0.000 0.969 31 N HN 0.230 nan 8.380 nan 0.000 0.450 32 T N 2.205 116.753 114.554 -0.010 0.000 2.819 32 T HA 0.010 4.386 4.350 0.044 0.000 0.282 32 T C 0.517 175.122 174.700 -0.157 0.000 1.013 32 T CA 0.244 62.289 62.100 -0.093 0.000 1.159 32 T CB 0.331 69.120 68.868 -0.130 0.000 1.007 32 T HN 0.149 nan 8.240 nan 0.000 0.514 33 L N 3.684 124.802 121.223 -0.176 0.000 2.375 33 L HA 0.482 4.849 4.340 0.044 0.000 0.268 33 L C 0.636 177.312 176.870 -0.322 0.000 1.058 33 L CA -0.985 53.785 54.840 -0.117 0.000 0.803 33 L CB 0.847 42.910 42.059 0.006 0.000 1.212 33 L HN 0.642 nan 8.230 nan 0.000 0.451 34 H N 2.577 121.680 119.070 0.054 0.000 2.589 34 H HA 0.530 5.114 4.556 0.048 0.000 0.351 34 H C -0.982 174.368 175.328 0.037 0.000 1.074 34 H CA -0.610 55.475 56.048 0.062 0.000 1.203 34 H CB 2.127 31.948 29.762 0.098 0.000 1.558 34 H HN 0.317 nan 8.280 nan 0.000 0.522 35 L N 1.538 122.824 121.223 0.105 0.000 2.330 35 L HA 0.828 5.194 4.340 0.044 0.000 0.271 35 L C 0.011 176.849 176.870 -0.053 0.000 1.013 35 L CA -1.036 53.808 54.840 0.007 0.000 0.816 35 L CB 1.883 43.897 42.059 -0.075 0.000 1.287 35 L HN 0.583 nan 8.230 nan 0.000 0.435 36 A N 1.442 124.200 122.820 -0.104 0.000 2.520 36 A HA 0.731 5.078 4.320 0.044 0.000 0.298 36 A C -1.258 176.229 177.584 -0.161 0.000 1.051 36 A CA -0.451 51.503 52.037 -0.138 0.000 0.690 36 A CB 1.046 19.979 19.000 -0.111 0.000 1.281 36 A HN 0.531 nan 8.150 nan 0.000 0.402 37 F N 0.933 120.846 119.950 -0.061 0.000 2.389 37 F HA 0.485 5.040 4.527 0.047 0.000 0.337 37 F C 1.408 176.951 175.800 -0.428 0.000 1.112 37 F CA 0.096 57.976 58.000 -0.200 0.000 1.192 37 F CB 1.522 40.448 39.000 -0.122 0.000 1.185 37 F HN 0.664 nan 8.300 nan 0.000 0.552 38 G N 4.026 112.419 108.800 -0.678 0.000 2.329 38 G HA2 0.547 4.534 3.960 0.044 0.000 0.309 38 G HA3 0.547 4.534 3.960 0.044 0.000 0.309 38 G C -0.826 173.781 174.900 -0.489 0.000 1.110 38 G CA -0.575 43.919 45.100 -1.011 0.000 0.923 38 G HN 0.465 nan 8.290 nan 0.000 0.430 39 L N 1.441 122.518 121.223 -0.244 0.000 2.399 39 L HA 0.456 4.822 4.340 0.044 0.000 0.265 39 L C 1.081 177.866 176.870 -0.142 0.000 1.089 39 L CA -0.821 53.889 54.840 -0.216 0.000 0.802 39 L CB 1.684 43.611 42.059 -0.219 0.000 1.180 39 L HN 0.526 nan 8.230 nan 0.000 0.454 40 S N -0.466 115.099 115.700 -0.226 0.000 2.549 40 S HA 0.103 4.599 4.470 0.044 0.000 0.279 40 S C 0.960 175.425 174.600 -0.225 0.000 1.321 40 S CA -0.187 57.912 58.200 -0.170 0.000 1.054 40 S CB 0.803 63.819 63.200 -0.308 0.000 0.899 40 S HN 0.760 nan 8.310 nan 0.000 0.497 41 T N 1.197 115.622 114.554 -0.215 0.000 3.044 41 T HA 0.283 4.659 4.350 0.044 0.000 0.250 41 T C 0.206 174.669 174.700 -0.395 0.000 1.081 41 T CA -0.129 61.811 62.100 -0.266 0.000 1.040 41 T CB 0.013 68.776 68.868 -0.176 0.000 0.962 41 T HN 0.517 nan 8.240 nan 0.000 0.506 42 E N 0.731 120.582 120.200 -0.581 0.000 2.204 42 E HA 0.649 5.025 4.350 0.044 0.000 0.276 42 E C 0.836 177.244 176.600 -0.320 0.000 0.974 42 E CA -0.230 55.859 56.400 -0.519 0.000 0.815 42 E CB 1.808 31.047 29.700 -0.768 0.000 1.119 42 E HN 0.239 nan 8.360 nan 0.000 0.393 43 A N 2.231 124.923 122.820 -0.213 0.000 1.898 43 A HA -0.030 4.316 4.320 0.044 0.000 0.214 43 A C 1.039 178.568 177.584 -0.092 0.000 1.183 43 A CA 0.998 52.964 52.037 -0.118 0.000 0.622 43 A CB 0.323 19.278 19.000 -0.074 0.000 0.824 43 A HN 0.338 nan 8.150 nan 0.000 0.444 44 S N -1.498 114.136 115.700 -0.111 0.000 2.614 44 S HA 0.607 5.104 4.470 0.044 0.000 0.259 44 S C -0.828 173.716 174.600 -0.094 0.000 1.118 44 S CA 0.225 58.371 58.200 -0.089 0.000 1.065 44 S CB 0.410 63.595 63.200 -0.025 0.000 1.121 44 S HN 1.474 nan 8.310 nan 0.000 0.458 45 A N 2.939 125.696 122.820 -0.104 0.000 2.610 45 A HA 0.934 5.280 4.320 0.044 0.000 0.291 45 A C -0.657 176.927 177.584 -0.001 0.000 1.086 45 A CA -0.293 51.731 52.037 -0.022 0.000 0.677 45 A CB 0.939 19.956 19.000 0.028 0.000 1.278 45 A HN 1.510 nan 8.150 nan 0.000 0.414 46 A N 0.427 123.268 122.820 0.035 0.000 2.306 46 A HA 0.707 5.053 4.320 0.044 0.000 0.314 46 A C -0.371 177.232 177.584 0.032 0.000 1.164 46 A CA -0.423 51.625 52.037 0.019 0.000 0.822 46 A CB 0.079 19.085 19.000 0.009 0.000 1.130 46 A HN 0.755 nan 8.150 nan 0.000 0.496 47 I N 2.752 123.308 120.570 -0.024 0.000 2.308 47 I HA 0.105 4.302 4.170 0.044 0.000 0.293 47 I C 0.927 176.980 176.117 -0.107 0.000 1.078 47 I CA -0.113 61.109 61.300 -0.129 0.000 1.292 47 I CB 0.915 38.828 38.000 -0.144 0.000 1.423 47 I HN 0.790 nan 8.210 nan 0.000 0.493 48 T N 3.581 118.064 114.554 -0.118 0.000 2.978 48 T HA 0.120 4.496 4.350 0.044 0.000 0.262 48 T C 0.833 175.480 174.700 -0.088 0.000 1.063 48 T CA 0.430 62.485 62.100 -0.076 0.000 1.140 48 T CB 0.173 69.010 68.868 -0.051 0.000 0.886 48 T HN 0.773 nan 8.240 nan 0.000 0.470 49 G N 0.350 109.070 108.800 -0.133 0.000 2.732 49 G HA2 0.565 4.551 3.960 0.044 0.000 0.296 49 G HA3 0.565 4.551 3.960 0.044 0.000 0.296 49 G C -2.335 172.468 174.900 -0.162 0.000 1.448 49 G CA -0.705 44.322 45.100 -0.121 0.000 0.911 49 G HN 0.177 nan 8.290 nan 0.000 0.528 50 L N 1.523 122.663 121.223 -0.137 0.000 2.529 50 L HA 0.536 4.902 4.340 0.044 0.000 0.260 50 L C -1.393 175.382 176.870 -0.157 0.000 0.997 50 L CA -0.619 54.126 54.840 -0.158 0.000 0.885 50 L CB 1.816 43.792 42.059 -0.139 0.000 1.185 50 L HN 0.467 nan 8.230 nan 0.000 0.442 51 D N 4.226 124.530 120.400 -0.160 0.000 2.347 51 D HA 0.310 4.976 4.640 0.044 0.000 0.235 51 D C 0.370 176.542 176.300 -0.213 0.000 1.149 51 D CA 0.064 53.973 54.000 -0.151 0.000 0.850 51 D CB 1.020 41.754 40.800 -0.110 0.000 1.061 51 D HN 0.606 nan 8.370 nan 0.000 0.487 52 L N 3.111 124.195 121.223 -0.231 0.000 2.857 52 L HA 0.198 4.564 4.340 0.044 0.000 0.249 52 L C 1.613 178.366 176.870 -0.194 0.000 1.172 52 L CA -0.186 54.471 54.840 -0.306 0.000 0.980 52 L CB 0.329 42.167 42.059 -0.368 0.000 1.299 52 L HN 0.305 nan 8.230 nan 0.000 0.535 53 E N 1.839 121.956 120.200 -0.138 0.000 2.031 53 E HA -0.141 4.236 4.350 0.044 0.000 0.193 53 E C -0.729 175.824 176.600 -0.078 0.000 0.994 53 E CA 1.682 58.025 56.400 -0.096 0.000 0.800 53 E CB -0.668 28.987 29.700 -0.075 0.000 0.752 53 E HN 0.231 nan 8.360 nan 0.000 0.447 54 P HA -0.088 nan 4.420 nan 0.000 0.223 54 P C 1.146 178.422 177.300 -0.040 0.000 1.151 54 P CA 0.784 63.855 63.100 -0.047 0.000 0.787 54 P CB 0.138 31.815 31.700 -0.039 0.000 0.788 55 V N 0.026 119.900 119.914 -0.067 0.000 2.358 55 V HA -0.188 3.958 4.120 0.044 0.000 0.246 55 V C 2.446 178.524 176.094 -0.027 0.000 1.047 55 V CA 1.672 63.950 62.300 -0.037 0.000 1.035 55 V CB -0.947 30.815 31.823 -0.103 0.000 0.658 55 V HN 0.079 nan 8.190 nan 0.000 0.452 56 R N 0.031 120.496 120.500 -0.059 0.000 2.092 56 R HA -0.124 4.242 4.340 0.044 0.000 0.231 56 R C 2.200 178.481 176.300 -0.031 0.000 1.119 56 R CA 1.425 57.495 56.100 -0.050 0.000 0.970 56 R CB -0.203 30.054 30.300 -0.071 0.000 0.864 56 R HN 0.608 nan 8.270 nan 0.000 0.440 57 E N 0.475 120.657 120.200 -0.030 0.000 2.358 57 E HA -0.013 4.363 4.350 0.044 0.000 0.195 57 E C 0.498 177.093 176.600 -0.009 0.000 1.010 57 E CA -0.029 56.359 56.400 -0.020 0.000 0.856 57 E CB 0.206 29.893 29.700 -0.022 0.000 0.795 57 E HN 0.020 nan 8.360 nan 0.000 0.504 58 S N 1.545 117.243 115.700 -0.003 0.000 2.563 58 S HA 0.032 4.529 4.470 0.044 0.000 0.284 58 S C -2.356 172.249 174.600 0.010 0.000 1.331 58 S CA -1.418 56.786 58.200 0.007 0.000 1.047 58 S CB 0.406 63.617 63.200 0.018 0.000 0.859 58 S HN -0.175 nan 8.310 nan 0.000 0.514 59 P HA 0.197 nan 4.420 nan 0.000 0.264 59 P C 0.736 178.047 177.300 0.018 0.000 1.193 59 P CA 1.076 64.183 63.100 0.012 0.000 0.763 59 P CB 0.183 31.890 31.700 0.011 0.000 0.810 60 G N 1.460 110.272 108.800 0.020 0.000 2.162 60 G HA2 -0.223 3.764 3.960 0.044 0.000 0.260 60 G HA3 -0.223 3.764 3.960 0.044 0.000 0.260 60 G C 0.112 175.035 174.900 0.038 0.000 0.976 60 G CA -0.109 45.009 45.100 0.030 0.000 0.655 60 G HN 0.517 nan 8.290 nan 0.000 0.533 61 V N 1.815 121.746 119.914 0.029 0.000 2.488 61 V HA 0.355 4.501 4.120 0.044 0.000 0.277 61 V C 1.519 177.624 176.094 0.019 0.000 1.046 61 V CA -0.310 62.009 62.300 0.031 0.000 0.986 61 V CB 1.338 33.175 31.823 0.024 0.000 0.989 61 V HN 0.166 nan 8.190 nan 0.000 0.475 62 I N 2.964 123.551 120.570 0.028 0.000 3.039 62 I HA 0.392 4.588 4.170 0.044 0.000 0.270 62 I C 0.923 177.027 176.117 -0.020 0.000 1.150 62 I CA 0.818 62.129 61.300 0.018 0.000 1.448 62 I CB -0.036 37.992 38.000 0.047 0.000 1.197 62 I HN 0.689 nan 8.210 nan 0.000 0.450 63 A N 0.434 123.232 122.820 -0.037 0.000 2.572 63 A HA 0.725 5.072 4.320 0.044 0.000 0.295 63 A C -1.314 176.118 177.584 -0.254 0.000 1.072 63 A CA -0.364 51.546 52.037 -0.212 0.000 0.691 63 A CB 1.974 20.817 19.000 -0.261 0.000 1.291 63 A HN -0.167 nan 8.150 nan 0.000 0.404 64 V N 1.147 120.794 119.914 -0.445 0.000 2.638 64 V HA 0.634 4.781 4.120 0.044 0.000 0.306 64 V C -1.393 174.444 176.094 -0.427 0.000 1.052 64 V CA -0.298 61.856 62.300 -0.242 0.000 0.885 64 V CB 1.408 33.169 31.823 -0.102 0.000 0.999 64 V HN 0.714 nan 8.190 nan 0.000 0.424 65 F N 1.581 121.628 119.950 0.162 0.000 2.507 65 F HA 0.676 5.230 4.527 0.045 0.000 0.325 65 F C 0.649 176.562 175.800 0.188 0.000 1.116 65 F CA -0.429 57.657 58.000 0.144 0.000 0.930 65 F CB 2.327 41.410 39.000 0.138 0.000 1.146 65 F HN 0.393 nan 8.300 nan 0.000 0.447 66 T N 0.920 115.649 114.554 0.292 0.000 2.948 66 T HA 0.452 4.828 4.350 0.044 0.000 0.285 66 T C 1.164 175.985 174.700 0.201 0.000 1.019 66 T CA -0.210 62.024 62.100 0.224 0.000 1.013 66 T CB 1.791 70.730 68.868 0.118 0.000 1.117 66 T HN 0.678 nan 8.240 nan 0.000 0.533 67 A N 0.697 123.611 122.820 0.155 0.000 2.032 67 A HA 0.007 4.353 4.320 0.044 0.000 0.221 67 A C 2.390 180.034 177.584 0.099 0.000 1.165 67 A CA 1.939 54.049 52.037 0.121 0.000 0.645 67 A CB -1.168 17.893 19.000 0.103 0.000 0.807 67 A HN 0.922 nan 8.150 nan 0.000 0.453 68 A N -0.332 122.542 122.820 0.090 0.000 1.969 68 A HA -0.136 4.210 4.320 0.044 0.000 0.218 68 A C 1.610 179.240 177.584 0.077 0.000 1.169 68 A CA 1.570 53.648 52.037 0.067 0.000 0.635 68 A CB -0.337 18.691 19.000 0.047 0.000 0.810 68 A HN 0.495 nan 8.150 nan 0.000 0.445 69 D N -0.355 120.120 120.400 0.125 0.000 2.355 69 D HA 0.108 4.774 4.640 0.044 0.000 0.218 69 D C 0.250 176.646 176.300 0.161 0.000 1.004 69 D CA 0.136 54.237 54.000 0.168 0.000 0.880 69 D CB -0.008 40.961 40.800 0.281 0.000 0.911 69 D HN 0.377 nan 8.370 nan 0.000 0.528 70 L N 1.804 123.093 121.223 0.110 0.000 2.410 70 L HA 0.069 4.436 4.340 0.044 0.000 0.273 70 L C -0.939 175.932 176.870 0.002 0.000 1.152 70 L CA -1.238 53.637 54.840 0.059 0.000 0.855 70 L CB 0.505 42.600 42.059 0.060 0.000 1.129 70 L HN -0.200 nan 8.230 nan 0.000 0.463 71 P HA -0.050 nan 4.420 nan 0.000 0.216 71 P C 0.016 177.016 177.300 -0.501 0.000 1.153 71 P CA 1.488 64.458 63.100 -0.218 0.000 0.844 71 P CB 0.326 31.972 31.700 -0.089 0.000 0.787 72 H N -2.944 116.146 119.070 0.033 0.000 5.199 72 H HA 0.266 4.848 4.556 0.043 0.000 0.185 72 H C -0.243 175.109 175.328 0.039 0.000 1.309 72 H CA -0.659 55.411 56.048 0.037 0.000 0.262 72 H CB -0.876 28.909 29.762 0.038 0.000 1.619 72 H HN -0.281 nan 8.280 nan 0.000 0.311 73 D N 0.965 121.491 120.400 0.210 0.000 2.472 73 D HA 0.037 4.703 4.640 0.044 0.000 0.237 73 D C -0.061 176.287 176.300 0.079 0.000 1.141 73 D CA 0.506 54.575 54.000 0.114 0.000 0.875 73 D CB 0.243 41.102 40.800 0.098 0.000 1.192 73 D HN 0.315 nan 8.370 nan 0.000 0.450 74 N N 1.853 120.588 118.700 0.059 0.000 2.818 74 N HA 0.146 4.912 4.740 0.044 0.000 0.301 74 N C -1.879 173.650 175.510 0.033 0.000 1.821 74 N CA -0.530 52.549 53.050 0.048 0.000 0.930 74 N CB 0.146 38.672 38.487 0.065 0.000 1.263 74 N HN 0.251 nan 8.380 nan 0.000 0.487 75 D N -0.372 120.035 120.400 0.011 0.000 2.788 75 D HA 0.548 5.214 4.640 0.044 0.000 0.247 75 D C -0.336 175.952 176.300 -0.019 0.000 1.236 75 D CA -0.559 53.440 54.000 -0.002 0.000 0.898 75 D CB 1.538 42.333 40.800 -0.008 0.000 1.401 75 D HN 0.163 nan 8.370 nan 0.000 0.549 76 A N 2.721 125.519 122.820 -0.037 0.000 2.431 76 A HA 0.271 4.618 4.320 0.044 0.000 0.239 76 A C 0.829 178.432 177.584 0.032 0.000 1.230 76 A CA -0.264 51.754 52.037 -0.032 0.000 0.928 76 A CB 0.227 19.111 19.000 -0.193 0.000 1.006 76 A HN 0.399 nan 8.150 nan 0.000 0.520 77 S N 1.452 117.157 115.700 0.008 0.000 2.549 77 S HA 0.284 4.781 4.470 0.044 0.000 0.283 77 S C -1.068 173.523 174.600 -0.014 0.000 1.320 77 S CA -0.998 57.193 58.200 -0.016 0.000 1.058 77 S CB 0.833 63.993 63.200 -0.066 0.000 0.882 77 S HN 0.305 nan 8.310 nan 0.000 0.498 78 P HA 0.132 nan 4.420 nan 0.000 0.229 78 P C 0.147 177.434 177.300 -0.023 0.000 1.160 78 P CA 0.322 63.413 63.100 -0.014 0.000 0.777 78 P CB -0.038 31.680 31.700 0.029 0.000 0.814 79 A N 1.052 123.846 122.820 -0.043 0.000 2.287 79 A HA 0.429 4.776 4.320 0.044 0.000 0.273 79 A C -1.360 176.198 177.584 -0.043 0.000 1.091 79 A CA -1.322 50.685 52.037 -0.051 0.000 0.817 79 A CB -0.350 18.588 19.000 -0.103 0.000 1.069 79 A HN -0.073 nan 8.150 nan 0.000 0.492 80 P HA -0.044 nan 4.420 nan 0.000 0.220 80 P C 0.438 177.721 177.300 -0.028 0.000 1.148 80 P CA 1.258 64.344 63.100 -0.023 0.000 0.803 80 P CB -0.097 31.596 31.700 -0.013 0.000 0.782 81 S N 0.580 116.256 115.700 -0.040 0.000 2.564 81 S HA 0.300 4.797 4.470 0.044 0.000 0.278 81 S C -2.343 172.225 174.600 -0.054 0.000 1.333 81 S CA -1.402 56.775 58.200 -0.039 0.000 1.048 81 S CB -0.177 62.999 63.200 -0.039 0.000 0.900 81 S HN 0.002 nan 8.310 nan 0.000 0.505 82 P HA 0.265 nan 4.420 nan 0.000 0.281 82 P C -0.890 176.377 177.300 -0.055 0.000 1.252 82 P CA -0.173 62.910 63.100 -0.028 0.000 0.778 82 P CB 0.569 32.272 31.700 0.005 0.000 0.895 83 E N 5.002 125.171 120.200 -0.051 0.000 2.220 83 E HA 0.331 4.707 4.350 0.044 0.000 0.256 83 E C -2.522 174.144 176.600 0.110 0.000 0.881 83 E CA -2.783 53.582 56.400 -0.059 0.000 0.766 83 E CB 1.912 31.491 29.700 -0.201 0.000 1.187 83 E HN 0.266 nan 8.360 nan 0.000 0.419 84 P HA 0.007 nan 4.420 nan 0.000 0.275 84 P C 0.818 178.225 177.300 0.178 0.000 1.228 84 P CA -0.285 62.931 63.100 0.193 0.000 0.786 84 P CB 1.650 33.487 31.700 0.228 0.000 0.927 85 V N 2.709 122.620 119.914 -0.004 0.000 2.283 85 V HA -0.106 4.040 4.120 0.044 0.000 0.243 85 V C 1.319 177.400 176.094 -0.022 0.000 1.039 85 V CA 1.502 63.706 62.300 -0.161 0.000 1.016 85 V CB -0.731 31.006 31.823 -0.144 0.000 0.650 85 V HN 0.405 nan 8.190 nan 0.000 0.449 86 L N 0.528 121.775 121.223 0.040 0.000 2.307 86 L HA 0.671 5.038 4.340 0.044 0.000 0.284 86 L C 0.285 177.204 176.870 0.082 0.000 1.023 86 L CA -0.707 54.162 54.840 0.049 0.000 0.810 86 L CB 1.329 43.461 42.059 0.123 0.000 1.231 86 L HN 0.185 nan 8.230 nan 0.000 0.423 87 A N 1.603 124.457 122.820 0.056 0.000 2.565 87 A HA 0.242 4.589 4.320 0.044 0.000 0.237 87 A C 0.684 178.326 177.584 0.097 0.000 1.053 87 A CA 0.157 52.243 52.037 0.080 0.000 0.755 87 A CB -0.188 18.822 19.000 0.016 0.000 0.980 87 A HN 0.757 nan 8.150 nan 0.000 0.506 88 T N 0.440 115.069 114.554 0.125 0.000 3.471 88 T HA 0.516 4.893 4.350 0.044 0.000 0.355 88 T C 1.084 175.836 174.700 0.086 0.000 1.775 88 T CA 0.329 62.492 62.100 0.106 0.000 1.305 88 T CB -0.038 68.902 68.868 0.119 0.000 1.171 88 T HN 2.356 nan 8.240 nan 0.000 0.776 89 G N 1.810 110.641 108.800 0.053 0.000 2.205 89 G HA2 -0.226 3.761 3.960 0.044 0.000 0.261 89 G HA3 -0.226 3.761 3.960 0.044 0.000 0.261 89 G C -0.194 174.713 174.900 0.012 0.000 0.980 89 G CA 0.338 45.454 45.100 0.027 0.000 0.632 89 G HN 1.097 nan 8.290 nan 0.000 0.533 90 E N -1.359 118.848 120.200 0.012 0.000 2.412 90 E HA 0.646 5.022 4.350 0.044 0.000 0.279 90 E C -0.581 175.932 176.600 -0.146 0.000 0.984 90 E CA -0.749 55.614 56.400 -0.062 0.000 0.788 90 E CB 2.247 31.892 29.700 -0.091 0.000 1.277 90 E HN 1.035 nan 8.360 nan 0.000 0.455 91 V N -0.857 118.911 119.914 -0.244 0.000 2.628 91 V HA 0.489 4.636 4.120 0.044 0.000 0.306 91 V C -0.185 175.629 176.094 -0.468 0.000 1.045 91 V CA -0.565 61.559 62.300 -0.293 0.000 0.905 91 V CB 1.550 33.276 31.823 -0.162 0.000 0.997 91 V HN 0.892 nan 8.190 nan 0.000 0.436 92 H N 3.343 122.317 119.070 -0.161 0.000 2.986 92 H HA 0.390 4.973 4.556 0.044 0.000 0.267 92 H C -0.184 175.171 175.328 0.044 0.000 1.072 92 H CA 0.797 56.847 56.048 0.004 0.000 1.202 92 H CB 1.253 31.175 29.762 0.266 0.000 1.535 92 H HN 0.797 nan 8.280 nan 0.000 0.522 93 F N -1.605 118.168 119.950 -0.295 0.000 2.719 93 F HA 0.455 5.008 4.527 0.043 0.000 0.309 93 F C -1.365 174.298 175.800 -0.229 0.000 1.138 93 F CA -1.468 56.390 58.000 -0.237 0.000 0.943 93 F CB 0.865 39.720 39.000 -0.240 0.000 1.304 93 F HN -0.350 nan 8.300 nan 0.000 0.445 94 V N 2.807 122.609 119.914 -0.186 0.000 2.400 94 V HA 0.471 4.617 4.120 0.044 0.000 0.263 94 V C 0.857 176.716 176.094 -0.393 0.000 1.026 94 V CA 0.923 63.059 62.300 -0.273 0.000 1.077 94 V CB -0.429 31.337 31.823 -0.094 0.000 1.054 94 V HN 1.531 nan 8.190 nan 0.000 0.477 95 G N 3.370 111.764 108.800 -0.676 0.000 2.173 95 G HA2 -0.151 3.835 3.960 0.044 0.000 0.142 95 G HA3 -0.151 3.835 3.960 0.044 0.000 0.142 95 G C 0.039 174.357 174.900 -0.969 0.000 1.019 95 G CA -0.146 44.584 45.100 -0.617 0.000 0.699 95 G HN 0.629 nan 8.290 nan 0.000 0.495 96 Q N 1.112 120.083 119.800 -1.381 0.000 2.296 96 Q HA 0.411 4.777 4.340 0.044 0.000 0.262 96 Q C -2.375 173.306 176.000 -0.532 0.000 0.981 96 Q CA -1.775 53.404 55.803 -1.041 0.000 0.905 96 Q CB 1.157 29.274 28.738 -1.034 0.000 1.186 96 Q HN 0.135 nan 8.270 nan 0.000 0.399 97 P HA -0.020 nan 4.420 nan 0.000 0.267 97 P C -0.403 176.745 177.300 -0.252 0.000 1.205 97 P CA 0.665 63.482 63.100 -0.473 0.000 0.765 97 P CB 0.574 31.667 31.700 -1.011 0.000 0.828 98 I N 2.723 123.206 120.570 -0.144 0.000 3.300 98 I HA 0.155 4.352 4.170 0.044 0.000 0.279 98 I C 0.717 176.964 176.117 0.215 0.000 1.172 98 I CA 0.461 61.791 61.300 0.050 0.000 1.431 98 I CB 0.091 38.179 38.000 0.146 0.000 1.240 98 I HN 0.282 nan 8.210 nan 0.000 0.453 99 F N -0.104 119.910 119.950 0.107 0.000 2.706 99 F HA 0.793 5.346 4.527 0.044 0.000 0.328 99 F C -1.329 174.667 175.800 0.327 0.000 1.123 99 F CA -1.505 56.605 58.000 0.183 0.000 0.978 99 F CB 1.441 40.510 39.000 0.115 0.000 1.404 99 F HN -0.293 nan 8.300 nan 0.000 0.497 100 L N 2.089 123.616 121.223 0.507 0.000 2.406 100 L HA 0.748 5.115 4.340 0.044 0.000 0.272 100 L C -1.661 175.461 176.870 0.419 0.000 0.980 100 L CA -0.625 54.454 54.840 0.398 0.000 0.831 100 L CB 2.000 44.308 42.059 0.414 0.000 1.253 100 L HN 0.621 nan 8.230 nan 0.000 0.406 101 V N 4.322 124.388 119.914 0.254 0.000 2.394 101 V HA 0.785 4.932 4.120 0.044 0.000 0.282 101 V C 0.376 176.573 176.094 0.171 0.000 1.031 101 V CA -0.317 62.119 62.300 0.226 0.000 0.881 101 V CB 1.271 33.207 31.823 0.189 0.000 0.982 101 V HN 0.914 nan 8.190 nan 0.000 0.451 102 A N 4.316 127.251 122.820 0.191 0.000 2.322 102 A HA 0.866 5.212 4.320 0.044 0.000 0.327 102 A C 0.208 177.864 177.584 0.120 0.000 1.394 102 A CA -0.109 52.029 52.037 0.169 0.000 0.921 102 A CB 0.444 19.595 19.000 0.252 0.000 1.153 102 A HN 1.183 nan 8.150 nan 0.000 0.523 103 A N 1.547 124.438 122.820 0.119 0.000 2.309 103 A HA 0.732 5.078 4.320 0.044 0.000 0.317 103 A C 1.169 178.846 177.584 0.154 0.000 1.134 103 A CA 0.216 52.317 52.037 0.107 0.000 0.866 103 A CB 0.422 19.470 19.000 0.079 0.000 1.329 103 A HN 1.231 nan 8.150 nan 0.000 0.477 104 T N -1.600 113.030 114.554 0.127 0.000 3.148 104 T HA 0.273 4.650 4.350 0.044 0.000 0.253 104 T C 0.588 175.393 174.700 0.175 0.000 1.134 104 T CA 0.787 62.984 62.100 0.161 0.000 1.051 104 T CB -0.801 68.123 68.868 0.093 0.000 0.959 104 T HN 1.466 nan 8.240 nan 0.000 0.525 105 S N -0.857 114.891 115.700 0.081 0.000 2.579 105 S HA 0.361 4.857 4.470 0.044 0.000 0.272 105 S C 0.414 174.945 174.600 -0.115 0.000 1.141 105 S CA -0.875 57.236 58.200 -0.149 0.000 0.843 105 S CB 1.316 64.463 63.200 -0.087 0.000 1.122 105 S HN 0.201 nan 8.310 nan 0.000 0.468 106 H N 1.137 120.000 119.070 -0.345 0.000 2.389 106 H HA 0.056 4.638 4.556 0.044 0.000 0.299 106 H C 1.673 176.977 175.328 -0.040 0.000 1.081 106 H CA 1.345 57.325 56.048 -0.113 0.000 1.345 106 H CB 0.088 29.783 29.762 -0.112 0.000 1.393 106 H HN 0.486 nan 8.280 nan 0.000 0.520 107 R N 0.311 120.804 120.500 -0.012 0.000 2.075 107 R HA -0.020 4.346 4.340 0.044 0.000 0.232 107 R C 2.443 178.716 176.300 -0.045 0.000 1.126 107 R CA 0.950 57.037 56.100 -0.023 0.000 0.963 107 R CB -0.586 29.724 30.300 0.016 0.000 0.858 107 R HN 0.350 nan 8.270 nan 0.000 0.435 108 A N 0.992 123.795 122.820 -0.028 0.000 1.972 108 A HA -0.074 4.272 4.320 0.044 0.000 0.219 108 A C 2.333 179.912 177.584 -0.009 0.000 1.169 108 A CA 1.680 53.713 52.037 -0.007 0.000 0.635 108 A CB -0.418 18.589 19.000 0.011 0.000 0.810 108 A HN 0.362 nan 8.150 nan 0.000 0.446 109 A N 0.171 122.970 122.820 -0.034 0.000 1.858 109 A HA -0.156 4.190 4.320 0.044 0.000 0.216 109 A C 2.259 179.808 177.584 -0.058 0.000 1.190 109 A CA 1.442 53.459 52.037 -0.033 0.000 0.617 109 A CB -0.461 18.507 19.000 -0.053 0.000 0.827 109 A HN 0.544 nan 8.150 nan 0.000 0.443 110 R N -0.666 119.754 120.500 -0.133 0.000 2.115 110 R HA 0.044 4.410 4.340 0.044 0.000 0.226 110 R C 1.993 178.275 176.300 -0.031 0.000 1.100 110 R CA 1.276 57.315 56.100 -0.102 0.000 0.980 110 R CB -0.506 29.706 30.300 -0.148 0.000 0.875 110 R HN 0.546 nan 8.270 nan 0.000 0.445 111 I N 1.045 121.603 120.570 -0.020 0.000 2.179 111 I HA -0.264 3.932 4.170 0.044 0.000 0.242 111 I C 2.616 178.752 176.117 0.031 0.000 1.088 111 I CA 1.385 62.690 61.300 0.007 0.000 1.357 111 I CB -0.352 37.651 38.000 0.006 0.000 1.051 111 I HN 0.162 nan 8.210 nan 0.000 0.409 112 A N 0.512 123.356 122.820 0.040 0.000 1.969 112 A HA -0.114 4.233 4.320 0.044 0.000 0.218 112 A C 2.528 180.199 177.584 0.145 0.000 1.169 112 A CA 1.564 53.647 52.037 0.076 0.000 0.635 112 A CB -0.764 18.282 19.000 0.077 0.000 0.810 112 A HN 0.430 nan 8.150 nan 0.000 0.445 113 A N 0.375 123.273 122.820 0.129 0.000 1.917 113 A HA -0.217 4.129 4.320 0.044 0.000 0.219 113 A C 2.206 179.918 177.584 0.213 0.000 1.182 113 A CA 1.607 53.741 52.037 0.161 0.000 0.633 113 A CB -0.490 18.508 19.000 -0.004 0.000 0.819 113 A HN 0.581 nan 8.150 nan 0.000 0.448 114 R N -0.314 120.256 120.500 0.117 0.000 2.189 114 R HA -0.005 4.361 4.340 0.044 0.000 0.218 114 R C 1.114 177.480 176.300 0.111 0.000 1.074 114 R CA 1.052 57.212 56.100 0.099 0.000 0.991 114 R CB -0.212 30.118 30.300 0.049 0.000 0.883 114 R HN 0.462 nan 8.270 nan 0.000 0.457 115 K N 1.114 121.580 120.400 0.109 0.000 2.569 115 K HA 0.138 4.484 4.320 0.044 0.000 0.193 115 K C 0.335 176.954 176.600 0.033 0.000 1.026 115 K CA -0.153 56.170 56.287 0.060 0.000 1.093 115 K CB 0.434 32.957 32.500 0.038 0.000 0.849 115 K HN 0.083 nan 8.250 nan 0.000 0.509 116 A N 1.594 124.457 122.820 0.072 0.000 2.322 116 A HA 0.274 4.620 4.320 0.044 0.000 0.269 116 A C -0.206 177.369 177.584 -0.016 0.000 1.094 116 A CA -0.374 51.643 52.037 -0.034 0.000 0.807 116 A CB 0.401 19.382 19.000 -0.032 0.000 1.047 116 A HN 0.252 nan 8.150 nan 0.000 0.487 117 R N 1.666 122.124 120.500 -0.070 0.000 2.312 117 R HA 0.408 4.774 4.340 0.044 0.000 0.310 117 R C -1.350 174.896 176.300 -0.091 0.000 1.064 117 R CA -0.024 56.045 56.100 -0.052 0.000 0.983 117 R CB 0.733 31.002 30.300 -0.051 0.000 1.139 117 R HN 0.677 nan 8.270 nan 0.000 0.536 118 I N 2.156 122.672 120.570 -0.089 0.000 2.377 118 I HA 0.243 4.440 4.170 0.044 0.000 0.293 118 I C 0.698 176.643 176.117 -0.287 0.000 0.987 118 I CA -0.726 60.431 61.300 -0.239 0.000 1.185 118 I CB 2.036 39.844 38.000 -0.321 0.000 1.341 118 I HN 0.414 nan 8.210 nan 0.000 0.455 119 T N 2.204 116.567 114.554 -0.317 0.000 2.867 119 T HA 0.622 4.998 4.350 0.044 0.000 0.282 119 T C -0.786 173.705 174.700 -0.350 0.000 1.000 119 T CA -0.546 61.430 62.100 -0.207 0.000 1.042 119 T CB 1.024 69.834 68.868 -0.097 0.000 0.973 119 T HN 0.295 nan 8.240 nan 0.000 0.465 120 Y N 0.351 120.634 120.300 -0.029 0.000 2.562 120 Y HA 0.638 5.214 4.550 0.044 0.000 0.343 120 Y C 0.260 176.142 175.900 -0.031 0.000 1.025 120 Y CA -1.486 56.592 58.100 -0.036 0.000 1.082 120 Y CB 2.051 40.483 38.460 -0.046 0.000 1.264 120 Y HN 0.956 nan 8.280 nan 0.000 0.478 121 A N 3.284 126.184 122.820 0.133 0.000 2.511 121 A HA 0.584 4.931 4.320 0.044 0.000 0.340 121 A C -2.865 174.754 177.584 0.058 0.000 1.396 121 A CA -1.811 50.268 52.037 0.070 0.000 0.887 121 A CB -0.399 18.622 19.000 0.035 0.000 1.145 121 A HN 0.395 nan 8.150 nan 0.000 0.497 122 P HA 0.274 nan 4.420 nan 0.000 0.268 122 P C -0.212 177.086 177.300 -0.003 0.000 1.204 122 P CA 0.287 63.388 63.100 0.001 0.000 0.768 122 P CB 0.587 32.278 31.700 -0.014 0.000 0.842 123 R N 3.556 124.047 120.500 -0.015 0.000 2.873 123 R HA 0.540 4.906 4.340 0.044 0.000 0.264 123 R C -2.274 174.019 176.300 -0.013 0.000 1.026 123 R CA -2.190 53.905 56.100 -0.009 0.000 1.002 123 R CB 0.368 30.665 30.300 -0.005 0.000 1.174 123 R HN 0.351 nan 8.270 nan 0.000 0.488 124 P HA 0.047 nan 4.420 nan 0.000 0.266 124 P C -0.993 176.304 177.300 -0.005 0.000 1.215 124 P CA 0.027 63.124 63.100 -0.005 0.000 0.763 124 P CB 0.815 32.515 31.700 -0.001 0.000 0.806 125 A N 4.387 127.201 122.820 -0.011 0.000 2.302 125 A HA 0.516 4.862 4.320 0.044 0.000 0.285 125 A C 0.219 177.796 177.584 -0.013 0.000 1.105 125 A CA -0.707 51.324 52.037 -0.011 0.000 0.816 125 A CB 0.143 19.128 19.000 -0.024 0.000 1.067 125 A HN 0.538 nan 8.150 nan 0.000 0.489 126 I N 2.555 123.117 120.570 -0.014 0.000 2.412 126 I HA 0.186 4.383 4.170 0.044 0.000 0.279 126 I C 0.234 176.316 176.117 -0.059 0.000 1.063 126 I CA 0.179 61.460 61.300 -0.031 0.000 1.193 126 I CB 0.633 38.615 38.000 -0.029 0.000 1.370 126 I HN 0.625 nan 8.210 nan 0.000 0.479 127 L N 3.138 124.319 121.223 -0.071 0.000 2.425 127 L HA 0.155 4.522 4.340 0.044 0.000 0.215 127 L C 1.236 178.020 176.870 -0.143 0.000 1.065 127 L CA 0.357 55.122 54.840 -0.125 0.000 0.842 127 L CB -0.069 41.931 42.059 -0.099 0.000 1.033 127 L HN 0.597 nan 8.230 nan 0.000 0.474 128 T N -3.093 111.412 114.554 -0.083 0.000 2.943 128 T HA 0.308 4.684 4.350 0.044 0.000 0.284 128 T C 0.968 175.626 174.700 -0.069 0.000 1.015 128 T CA -0.662 61.398 62.100 -0.068 0.000 1.042 128 T CB 2.051 70.903 68.868 -0.027 0.000 1.055 128 T HN -0.203 nan 8.240 nan 0.000 0.500 129 L N 1.210 122.395 121.223 -0.063 0.000 2.043 129 L HA -0.076 4.291 4.340 0.044 0.000 0.212 129 L C 2.356 179.191 176.870 -0.058 0.000 1.075 129 L CA 1.812 56.614 54.840 -0.064 0.000 0.752 129 L CB -1.074 40.951 42.059 -0.056 0.000 0.891 129 L HN 0.765 nan 8.230 nan 0.000 0.432 130 D N -1.022 119.353 120.400 -0.042 0.000 2.116 130 D HA -0.241 4.425 4.640 0.044 0.000 0.193 130 D C 2.133 178.409 176.300 -0.040 0.000 0.998 130 D CA 1.315 55.293 54.000 -0.038 0.000 0.836 130 D CB -0.119 40.668 40.800 -0.021 0.000 0.951 130 D HN 0.485 nan 8.370 nan 0.000 0.449 131 Q N 0.472 120.250 119.800 -0.037 0.000 2.050 131 Q HA -0.090 4.277 4.340 0.044 0.000 0.202 131 Q C 2.324 178.297 176.000 -0.045 0.000 0.980 131 Q CA 1.508 57.289 55.803 -0.035 0.000 0.840 131 Q CB -0.174 28.544 28.738 -0.033 0.000 0.898 131 Q HN 0.239 nan 8.270 nan 0.000 0.424 132 A N 0.563 123.350 122.820 -0.056 0.000 1.933 132 A HA -0.185 4.161 4.320 0.044 0.000 0.218 132 A C 2.001 179.547 177.584 -0.064 0.000 1.175 132 A CA 1.180 53.178 52.037 -0.066 0.000 0.628 132 A CB -0.543 18.411 19.000 -0.076 0.000 0.814 132 A HN 0.325 nan 8.150 nan 0.000 0.444 133 L N -0.562 120.621 121.223 -0.067 0.000 2.072 133 L HA 0.053 4.419 4.340 0.044 0.000 0.205 133 L C 2.679 179.516 176.870 -0.056 0.000 1.079 133 L CA 2.007 56.801 54.840 -0.076 0.000 0.752 133 L CB -0.783 41.211 42.059 -0.108 0.000 0.906 133 L HN 0.332 nan 8.230 nan 0.000 0.436 134 A N -1.088 121.705 122.820 -0.046 0.000 2.014 134 A HA 0.105 4.451 4.320 0.044 0.000 0.218 134 A C 2.238 179.806 177.584 -0.028 0.000 1.163 134 A CA 1.234 53.251 52.037 -0.033 0.000 0.652 134 A CB -0.724 18.260 19.000 -0.027 0.000 0.808 134 A HN 0.459 nan 8.150 nan 0.000 0.449 135 A N -1.470 121.331 122.820 -0.032 0.000 2.178 135 A HA 0.305 4.651 4.320 0.044 0.000 0.211 135 A C 0.825 178.389 177.584 -0.033 0.000 1.157 135 A CA 1.085 53.105 52.037 -0.029 0.000 0.780 135 A CB -0.212 18.770 19.000 -0.031 0.000 0.828 135 A HN 0.525 nan 8.150 nan 0.000 0.476 136 D N -1.092 119.286 120.400 -0.037 0.000 2.800 136 D HA -0.150 4.517 4.640 0.044 0.000 0.232 136 D C -0.035 176.227 176.300 -0.064 0.000 1.137 136 D CA 0.988 54.966 54.000 -0.037 0.000 0.718 136 D CB -1.597 39.189 40.800 -0.023 0.000 1.084 136 D HN 0.267 nan 8.370 nan 0.000 0.432 137 S N 0.285 115.935 115.700 -0.083 0.000 2.405 137 S HA 0.499 4.995 4.470 0.044 0.000 0.291 137 S C 0.113 174.597 174.600 -0.194 0.000 1.137 137 S CA -0.105 58.013 58.200 -0.136 0.000 1.061 137 S CB 0.176 63.307 63.200 -0.114 0.000 1.001 137 S HN 0.473 nan 8.310 nan 0.000 0.507 138 R N 2.893 123.223 120.500 -0.284 0.000 2.747 138 R HA 0.524 4.890 4.340 0.044 0.000 0.272 138 R C -1.738 174.277 176.300 -0.476 0.000 1.032 138 R CA -0.877 55.047 56.100 -0.293 0.000 0.896 138 R CB 0.536 30.783 30.300 -0.087 0.000 1.253 138 R HN 0.420 nan 8.270 nan 0.000 0.461 139 F N 0.301 120.237 119.950 -0.023 0.000 2.556 139 F HA 0.360 4.914 4.527 0.045 0.000 0.327 139 F C 0.412 176.195 175.800 -0.027 0.000 1.059 139 F CA -0.399 57.582 58.000 -0.031 0.000 0.953 139 F CB 2.004 40.979 39.000 -0.043 0.000 1.227 139 F HN 0.881 nan 8.300 nan 0.000 0.478 140 E N 0.059 120.372 120.200 0.189 0.000 3.673 140 E HA -0.211 4.166 4.350 0.044 0.000 0.309 140 E C 0.763 177.390 176.600 0.045 0.000 0.819 140 E CA 0.619 57.072 56.400 0.088 0.000 1.111 140 E CB -1.586 28.152 29.700 0.063 0.000 1.561 140 E HN 1.150 nan 8.360 nan 0.000 0.450 141 G N -0.219 108.601 108.800 0.034 0.000 2.372 141 G HA2 0.111 4.097 3.960 0.044 0.000 0.297 141 G HA3 0.111 4.097 3.960 0.044 0.000 0.297 141 G C 0.467 175.371 174.900 0.007 0.000 1.005 141 G CA 0.930 46.036 45.100 0.011 0.000 1.173 141 G HN 1.245 nan 8.290 nan 0.000 0.511 142 G N -0.257 108.546 108.800 0.005 0.000 2.375 142 G HA2 0.471 4.458 3.960 0.044 0.000 0.663 142 G HA3 0.471 4.458 3.960 0.044 0.000 0.663 142 G C -2.623 172.247 174.900 -0.049 0.000 1.391 142 G CA -0.166 44.931 45.100 -0.005 0.000 0.949 142 G HN 0.849 nan 8.290 nan 0.000 0.646 143 P HA 0.459 nan 4.420 nan 0.000 0.275 143 P C 0.159 177.326 177.300 -0.221 0.000 1.227 143 P CA -0.247 62.664 63.100 -0.315 0.000 0.781 143 P CB 1.432 32.718 31.700 -0.689 0.000 0.906 144 V N 4.865 124.635 119.914 -0.240 0.000 2.488 144 V HA 0.198 4.344 4.120 0.044 0.000 0.277 144 V C 0.718 176.628 176.094 -0.307 0.000 1.046 144 V CA 0.041 62.197 62.300 -0.240 0.000 0.986 144 V CB 0.079 31.724 31.823 -0.298 0.000 0.989 144 V HN 0.368 nan 8.190 nan 0.000 0.475 145 I N 4.692 125.151 120.570 -0.185 0.000 2.447 145 I HA 0.449 4.646 4.170 0.044 0.000 0.287 145 I C -1.023 175.175 176.117 0.135 0.000 1.023 145 I CA -0.321 60.928 61.300 -0.086 0.000 1.083 145 I CB 1.848 39.844 38.000 -0.007 0.000 1.245 145 I HN 0.498 nan 8.210 nan 0.000 0.434 146 W N 4.906 126.252 121.300 0.077 0.000 2.632 146 W HA 0.806 5.492 4.660 0.043 0.000 0.328 146 W C -0.298 176.291 176.519 0.117 0.000 1.044 146 W CA -1.487 55.930 57.345 0.120 0.000 1.225 146 W CB 1.885 31.464 29.460 0.198 0.000 1.396 146 W HN 0.422 nan 8.180 nan 0.000 0.499 147 A N 3.570 126.589 122.820 0.333 0.000 2.393 147 A HA 0.835 5.181 4.320 0.044 0.000 0.306 147 A C -1.018 176.676 177.584 0.183 0.000 1.050 147 A CA -0.897 51.269 52.037 0.215 0.000 0.724 147 A CB 2.125 21.212 19.000 0.144 0.000 1.248 147 A HN 0.531 nan 8.150 nan 0.000 0.424 148 R N 1.919 122.513 120.500 0.158 0.000 2.473 148 R HA 0.542 4.908 4.340 0.044 0.000 0.303 148 R C 0.400 176.746 176.300 0.076 0.000 1.002 148 R CA 0.807 56.980 56.100 0.122 0.000 0.884 148 R CB 0.969 31.362 30.300 0.154 0.000 1.173 148 R HN 2.326 nan 8.270 nan 0.000 0.464 149 G N 3.076 111.913 108.800 0.062 0.000 2.593 149 G HA2 -0.278 3.708 3.960 0.044 0.000 0.237 149 G HA3 -0.278 3.708 3.960 0.044 0.000 0.237 149 G C -1.104 173.820 174.900 0.040 0.000 1.312 149 G CA 0.099 45.225 45.100 0.043 0.000 0.896 149 G HN 0.585 nan 8.290 nan 0.000 0.574 150 D N 0.334 120.750 120.400 0.026 0.000 2.446 150 D HA 0.488 5.154 4.640 0.044 0.000 0.251 150 D C 1.807 178.113 176.300 0.009 0.000 1.137 150 D CA 0.255 54.268 54.000 0.022 0.000 0.890 150 D CB 0.911 41.722 40.800 0.019 0.000 1.071 150 D HN 0.917 nan 8.370 nan 0.000 0.528 151 V N 2.143 122.062 119.914 0.008 0.000 2.287 151 V HA -0.167 3.979 4.120 0.044 0.000 0.248 151 V C 2.001 178.085 176.094 -0.016 0.000 1.053 151 V CA 1.102 63.395 62.300 -0.011 0.000 1.027 151 V CB -0.495 31.318 31.823 -0.016 0.000 0.646 151 V HN 0.344 nan 8.190 nan 0.000 0.447 152 E N 0.968 121.163 120.200 -0.008 0.000 2.049 152 E HA -0.192 4.184 4.350 0.044 0.000 0.198 152 E C 2.391 178.985 176.600 -0.011 0.000 1.007 152 E CA 2.352 58.745 56.400 -0.011 0.000 0.809 152 E CB -0.954 28.744 29.700 -0.003 0.000 0.749 152 E HN 0.748 nan 8.360 nan 0.000 0.450 153 T N 1.488 116.039 114.554 -0.005 0.000 2.622 153 T HA -0.180 4.196 4.350 0.044 0.000 0.266 153 T C 1.946 176.641 174.700 -0.010 0.000 1.047 153 T CA 1.966 64.063 62.100 -0.005 0.000 1.159 153 T CB -0.421 68.448 68.868 0.002 0.000 0.863 153 T HN 0.326 nan 8.240 nan 0.000 0.422 154 A N 1.319 124.132 122.820 -0.011 0.000 1.873 154 A HA -0.067 4.279 4.320 0.044 0.000 0.218 154 A C 2.371 179.941 177.584 -0.023 0.000 1.193 154 A CA 1.552 53.580 52.037 -0.015 0.000 0.629 154 A CB -1.046 17.942 19.000 -0.019 0.000 0.826 154 A HN 0.484 nan 8.150 nan 0.000 0.447 155 L N -0.899 120.306 121.223 -0.031 0.000 2.083 155 L HA -0.196 4.170 4.340 0.044 0.000 0.209 155 L C 3.114 179.963 176.870 -0.035 0.000 1.083 155 L CA 0.982 55.799 54.840 -0.039 0.000 0.752 155 L CB -0.631 41.399 42.059 -0.049 0.000 0.899 155 L HN 0.467 nan 8.230 nan 0.000 0.433 156 A N 0.247 123.050 122.820 -0.029 0.000 1.908 156 A HA -0.143 4.203 4.320 0.044 0.000 0.218 156 A C 2.027 179.594 177.584 -0.028 0.000 1.181 156 A CA 1.868 53.889 52.037 -0.027 0.000 0.627 156 A CB -1.009 17.979 19.000 -0.020 0.000 0.818 156 A HN 0.448 nan 8.150 nan 0.000 0.445 157 G N -1.059 107.726 108.800 -0.025 0.000 3.609 157 G HA2 0.486 4.472 3.960 0.044 0.000 0.280 157 G HA3 0.486 4.472 3.960 0.044 0.000 0.280 157 G C 0.285 175.166 174.900 -0.032 0.000 1.155 157 G CA 0.496 45.580 45.100 -0.027 0.000 0.876 157 G HN 0.722 nan 8.290 nan 0.000 0.535 158 A N -0.099 122.699 122.820 -0.037 0.000 2.354 158 A HA 0.689 5.035 4.320 0.044 0.000 0.269 158 A C 1.569 179.111 177.584 -0.070 0.000 1.109 158 A CA 0.326 52.341 52.037 -0.037 0.000 0.800 158 A CB 0.960 19.943 19.000 -0.028 0.000 1.045 158 A HN 0.674 nan 8.150 nan 0.000 0.489 159 A N 1.641 124.410 122.820 -0.085 0.000 1.968 159 A HA 0.135 4.482 4.320 0.044 0.000 0.217 159 A C 0.690 178.006 177.584 -0.447 0.000 1.169 159 A CA 1.339 53.239 52.037 -0.227 0.000 0.638 159 A CB -0.361 18.527 19.000 -0.186 0.000 0.812 159 A HN 0.896 nan 8.150 nan 0.000 0.446 160 H N -2.494 116.558 119.070 -0.030 0.000 2.667 160 H HA 0.653 5.235 4.556 0.044 0.000 0.353 160 H C -1.305 173.999 175.328 -0.041 0.000 1.072 160 H CA -0.531 55.498 56.048 -0.033 0.000 1.214 160 H CB 1.782 31.525 29.762 -0.032 0.000 1.600 160 H HN 0.229 nan 8.280 nan 0.000 0.527 161 L N 2.063 123.322 121.223 0.061 0.000 2.354 161 L HA 0.866 5.233 4.340 0.044 0.000 0.269 161 L C -1.024 175.838 176.870 -0.013 0.000 1.005 161 L CA -0.546 54.294 54.840 -0.000 0.000 0.819 161 L CB 1.742 43.781 42.059 -0.033 0.000 1.311 161 L HN 0.815 nan 8.230 nan 0.000 0.423 162 A N 3.456 126.238 122.820 -0.063 0.000 2.499 162 A HA 0.609 4.955 4.320 0.044 0.000 0.280 162 A C -1.061 176.350 177.584 -0.290 0.000 1.135 162 A CA -0.502 51.444 52.037 -0.152 0.000 0.744 162 A CB 0.634 19.601 19.000 -0.056 0.000 1.213 162 A HN 0.680 nan 8.150 nan 0.000 0.434 163 E N 1.107 121.068 120.200 -0.398 0.000 2.175 163 E HA 0.613 4.989 4.350 0.044 0.000 0.278 163 E C 0.303 176.446 176.600 -0.762 0.000 0.969 163 E CA -0.271 55.844 56.400 -0.476 0.000 0.796 163 E CB 2.061 31.592 29.700 -0.282 0.000 1.104 163 E HN 0.840 nan 8.360 nan 0.000 0.395 164 G N 0.832 108.921 108.800 -1.185 0.000 2.682 164 G HA2 0.535 4.521 3.960 0.044 0.000 0.290 164 G HA3 0.535 4.521 3.960 0.044 0.000 0.290 164 G C -1.709 172.638 174.900 -0.922 0.000 1.425 164 G CA -0.469 43.988 45.100 -1.071 0.000 0.807 164 G HN 0.626 nan 8.290 nan 0.000 0.482 165 C N 0.382 119.585 119.300 -0.161 0.000 2.931 165 C HA 0.860 5.347 4.460 0.044 0.000 0.370 165 C C -1.610 173.656 174.990 0.459 0.000 1.071 165 C CA -1.200 57.910 59.018 0.153 0.000 1.266 165 C CB -0.332 27.439 27.740 0.053 0.000 1.691 165 C HN 1.364 nan 8.230 nan 0.000 0.511 166 F N 3.513 123.601 119.950 0.231 0.000 2.641 166 F HA 0.726 5.280 4.527 0.044 0.000 0.308 166 F C -0.710 175.188 175.800 0.163 0.000 1.105 166 F CA -0.678 57.455 58.000 0.221 0.000 0.964 166 F CB 1.110 40.287 39.000 0.295 0.000 1.294 166 F HN 0.465 nan 8.300 nan 0.000 0.442 167 E N 3.651 123.834 120.200 -0.027 0.000 2.283 167 E HA 0.426 4.802 4.350 0.044 0.000 0.278 167 E C -0.764 175.678 176.600 -0.264 0.000 1.027 167 E CA -0.380 55.939 56.400 -0.134 0.000 0.843 167 E CB 2.507 32.213 29.700 0.011 0.000 1.062 167 E HN 0.637 nan 8.360 nan 0.000 0.401 168 I N 1.841 122.247 120.570 -0.272 0.000 2.420 168 I HA 0.232 4.428 4.170 0.044 0.000 0.282 168 I C 0.800 176.913 176.117 -0.006 0.000 1.019 168 I CA -0.703 60.458 61.300 -0.231 0.000 1.130 168 I CB 1.700 39.540 38.000 -0.266 0.000 1.262 168 I HN 0.412 nan 8.210 nan 0.000 0.454 169 G N 3.827 112.618 108.800 -0.015 0.000 2.636 169 G HA2 0.415 4.402 3.960 0.044 0.000 0.246 169 G HA3 0.415 4.402 3.960 0.044 0.000 0.246 169 G C 0.556 175.634 174.900 0.296 0.000 1.216 169 G CA -0.053 45.121 45.100 0.123 0.000 0.854 169 G HN 0.695 nan 8.290 nan 0.000 0.572 170 G N -1.295 107.694 108.800 0.317 0.000 2.468 170 G HA2 0.484 4.471 3.960 0.044 0.000 0.264 170 G HA3 0.484 4.471 3.960 0.044 0.000 0.264 170 G C -0.175 174.932 174.900 0.346 0.000 1.460 170 G CA -0.150 45.149 45.100 0.332 0.000 1.060 170 G HN 0.754 nan 8.290 nan 0.000 0.543 171 Q N -1.321 118.597 119.800 0.197 0.000 2.443 171 Q HA 0.296 4.662 4.340 0.044 0.000 0.258 171 Q C -1.781 174.318 176.000 0.165 0.000 0.967 171 Q CA -0.653 55.258 55.803 0.180 0.000 0.951 171 Q CB 2.003 30.633 28.738 -0.179 0.000 1.459 171 Q HN 0.557 nan 8.270 nan 0.000 0.415 172 E N 1.611 121.848 120.200 0.063 0.000 2.227 172 E HA 0.189 4.566 4.350 0.044 0.000 0.282 172 E C -0.236 176.444 176.600 0.134 0.000 1.015 172 E CA 0.303 56.631 56.400 -0.120 0.000 0.823 172 E CB 0.755 29.990 29.700 -0.775 0.000 1.081 172 E HN 0.675 nan 8.360 nan 0.000 0.396 173 H N 4.076 123.134 119.070 -0.019 0.000 2.290 173 H HA -0.037 4.547 4.556 0.046 0.000 0.298 173 H C 0.044 175.266 175.328 -0.176 0.000 1.087 173 H CA 1.779 57.641 56.048 -0.311 0.000 1.291 173 H CB -0.307 29.135 29.762 -0.533 0.000 1.369 173 H HN 0.695 nan 8.280 nan 0.000 0.492 174 F N 0.684 120.403 119.950 -0.385 0.000 2.866 174 F HA -0.264 4.290 4.527 0.046 0.000 0.254 174 F C -0.843 174.827 175.800 -0.215 0.000 1.009 174 F CA -0.564 57.240 58.000 -0.326 0.000 0.907 174 F CB -1.484 37.469 39.000 -0.079 0.000 0.859 174 F HN 0.152 nan 8.300 nan 0.000 0.842 175 Y N 1.186 121.546 120.300 0.099 0.000 2.526 175 Y HA 0.273 4.851 4.550 0.048 0.000 0.330 175 Y C 0.927 176.807 175.900 -0.033 0.000 1.156 175 Y CA -1.471 56.726 58.100 0.161 0.000 1.419 175 Y CB 0.136 38.689 38.460 0.155 0.000 1.250 175 Y HN 0.157 nan 8.280 nan 0.000 0.540 176 L N 1.436 122.784 121.223 0.208 0.000 2.131 176 L HA -0.082 4.284 4.340 0.044 0.000 0.210 176 L C 1.110 177.977 176.870 -0.004 0.000 1.092 176 L CA 1.352 56.232 54.840 0.067 0.000 0.759 176 L CB -0.667 41.447 42.059 0.093 0.000 0.903 176 L HN 0.847 nan 8.230 nan 0.000 0.435 177 E N 0.385 120.591 120.200 0.010 0.000 2.130 177 E HA 0.318 4.695 4.350 0.044 0.000 0.284 177 E C 0.126 176.750 176.600 0.040 0.000 1.018 177 E CA -0.289 56.079 56.400 -0.054 0.000 0.817 177 E CB 1.150 30.759 29.700 -0.151 0.000 1.078 177 E HN 0.191 nan 8.360 nan 0.000 0.396 178 G N 3.273 112.102 108.800 0.048 0.000 2.616 178 G HA2 0.011 3.997 3.960 0.044 0.000 0.268 178 G HA3 0.011 3.997 3.960 0.044 0.000 0.268 178 G C -0.073 174.781 174.900 -0.077 0.000 1.213 178 G CA -0.537 44.639 45.100 0.127 0.000 0.926 178 G HN 0.545 nan 8.290 nan 0.000 0.523 179 Q N -0.615 119.130 119.800 -0.092 0.000 2.283 179 Q HA 0.353 4.719 4.340 0.044 0.000 0.301 179 Q C 0.159 176.004 176.000 -0.259 0.000 1.063 179 Q CA 0.653 56.292 55.803 -0.274 0.000 0.952 179 Q CB 0.964 29.456 28.738 -0.410 0.000 1.166 179 Q HN 0.688 nan 8.270 nan 0.000 0.381 180 A N 1.209 123.900 122.820 -0.215 0.000 2.520 180 A HA 0.843 5.190 4.320 0.044 0.000 0.298 180 A C -1.458 176.061 177.584 -0.109 0.000 1.051 180 A CA -0.012 51.941 52.037 -0.140 0.000 0.690 180 A CB 1.881 20.836 19.000 -0.075 0.000 1.281 180 A HN 0.697 nan 8.150 nan 0.000 0.402 181 A N 0.699 123.468 122.820 -0.085 0.000 2.572 181 A HA 0.830 5.176 4.320 0.044 0.000 0.295 181 A C -1.810 175.757 177.584 -0.028 0.000 1.072 181 A CA -0.415 51.591 52.037 -0.052 0.000 0.691 181 A CB 1.558 20.517 19.000 -0.069 0.000 1.291 181 A HN 2.142 nan 8.150 nan 0.000 0.404 182 L N 1.063 122.289 121.223 0.004 0.000 2.464 182 L HA 0.867 5.233 4.340 0.044 0.000 0.266 182 L C -0.532 176.354 176.870 0.028 0.000 0.965 182 L CA -0.025 54.823 54.840 0.014 0.000 0.833 182 L CB 1.926 44.008 42.059 0.039 0.000 1.296 182 L HN 1.373 nan 8.230 nan 0.000 0.405 183 A N 6.043 128.863 122.820 -0.000 0.000 2.340 183 A HA 0.749 5.095 4.320 0.044 0.000 0.297 183 A C -1.423 176.162 177.584 0.003 0.000 1.195 183 A CA -0.365 51.668 52.037 -0.006 0.000 0.769 183 A CB 0.542 19.523 19.000 -0.033 0.000 1.163 183 A HN 0.667 nan 8.150 nan 0.000 0.472 184 L N 4.622 125.859 121.223 0.024 0.000 2.265 184 L HA 0.412 4.779 4.340 0.044 0.000 0.289 184 L C -2.165 174.709 176.870 0.007 0.000 1.033 184 L CA -1.929 52.925 54.840 0.023 0.000 0.814 184 L CB 1.828 43.921 42.059 0.057 0.000 1.203 184 L HN 0.453 nan 8.230 nan 0.000 0.423 185 P HA 0.132 nan 4.420 nan 0.000 0.280 185 P C -0.669 176.633 177.300 0.003 0.000 1.300 185 P CA -0.194 62.906 63.100 -0.000 0.000 0.785 185 P CB 1.214 32.916 31.700 0.003 0.000 0.874 186 A N 4.381 127.200 122.820 -0.001 0.000 2.838 186 A HA 0.304 4.650 4.320 0.044 0.000 0.337 186 A C 0.428 178.010 177.584 -0.002 0.000 1.383 186 A CA -0.683 51.353 52.037 -0.001 0.000 0.985 186 A CB -0.676 18.322 19.000 -0.003 0.000 1.157 186 A HN 0.662 nan 8.150 nan 0.000 0.497 187 E N 0.955 121.155 120.200 0.001 0.000 1.357 187 E HA -0.173 4.203 4.350 0.044 0.000 0.313 187 E C 0.895 177.494 176.600 -0.001 0.000 1.457 187 E CA 0.628 57.028 56.400 0.001 0.000 1.143 187 E CB -1.584 28.115 29.700 -0.001 0.000 0.669 187 E HN 2.020 nan 8.360 nan 0.000 0.334 188 G N 1.479 110.281 108.800 0.004 0.000 2.284 188 G HA2 -0.192 3.794 3.960 0.044 0.000 0.230 188 G HA3 -0.192 3.794 3.960 0.044 0.000 0.230 188 G C 0.512 175.417 174.900 0.009 0.000 1.021 188 G CA 0.050 45.154 45.100 0.006 0.000 0.619 188 G HN 1.467 nan 8.290 nan 0.000 0.510 189 G N -1.508 107.294 108.800 0.003 0.000 2.870 189 G HA2 0.842 4.829 3.960 0.044 0.000 0.299 189 G HA3 0.842 4.829 3.960 0.044 0.000 0.299 189 G C -0.724 174.170 174.900 -0.010 0.000 1.324 189 G CA 0.586 45.686 45.100 0.000 0.000 0.808 189 G HN 1.614 nan 8.290 nan 0.000 0.535 190 V N -2.476 117.425 119.914 -0.022 0.000 2.864 190 V HA 0.866 5.012 4.120 0.044 0.000 0.314 190 V C -0.578 175.488 176.094 -0.046 0.000 1.073 190 V CA -1.076 61.206 62.300 -0.031 0.000 0.956 190 V CB 1.576 33.376 31.823 -0.038 0.000 1.023 190 V HN 0.622 nan 8.190 nan 0.000 0.435 191 V N 4.381 124.266 119.914 -0.049 0.000 2.398 191 V HA 0.516 4.662 4.120 0.044 0.000 0.286 191 V C -0.295 175.729 176.094 -0.118 0.000 1.026 191 V CA -0.416 61.827 62.300 -0.096 0.000 0.868 191 V CB 1.412 33.187 31.823 -0.080 0.000 0.982 191 V HN 0.712 nan 8.190 nan 0.000 0.443 192 I N 4.638 125.099 120.570 -0.182 0.000 2.339 192 I HA 0.453 4.649 4.170 0.044 0.000 0.290 192 I C -0.091 175.861 176.117 -0.275 0.000 0.994 192 I CA -0.354 60.855 61.300 -0.152 0.000 1.191 192 I CB 1.215 39.150 38.000 -0.108 0.000 1.343 192 I HN 0.573 nan 8.210 nan 0.000 0.458 193 H N 5.372 124.420 119.070 -0.036 0.000 2.457 193 H HA 0.606 5.153 4.556 -0.014 0.000 0.335 193 H C -0.311 174.994 175.328 -0.038 0.000 1.115 193 H CA -0.294 55.735 56.048 -0.032 0.000 1.219 193 H CB 2.444 32.189 29.762 -0.028 0.000 1.471 193 H HN 0.816 nan 8.280 nan 0.000 0.491 194 C N 0.583 119.922 119.300 0.064 0.000 3.307 194 C HA 0.382 4.869 4.460 0.044 0.000 0.333 194 C C 0.190 175.177 174.990 -0.005 0.000 1.291 194 C CA -1.131 57.892 59.018 0.008 0.000 1.273 194 C CB 1.181 28.905 27.740 -0.026 0.000 1.580 194 C HN 0.726 nan 8.230 nan 0.000 0.481 195 S N 1.845 117.521 115.700 -0.039 0.000 2.411 195 S HA 0.646 5.142 4.470 0.044 0.000 0.304 195 S C -0.192 174.350 174.600 -0.097 0.000 1.098 195 S CA 0.339 58.501 58.200 -0.063 0.000 1.068 195 S CB -0.504 62.638 63.200 -0.097 0.000 1.032 195 S HN 1.392 nan 8.310 nan 0.000 0.511 196 S N 3.258 118.919 115.700 -0.064 0.000 2.535 196 S HA 0.338 4.834 4.470 0.044 0.000 0.272 196 S C 0.021 174.609 174.600 -0.021 0.000 1.149 196 S CA -0.608 57.562 58.200 -0.049 0.000 0.888 196 S CB 1.504 64.692 63.200 -0.020 0.000 1.110 196 S HN 0.741 nan 8.310 nan 0.000 0.463 197 Q N 1.406 121.201 119.800 -0.008 0.000 2.403 197 Q HA 0.171 4.537 4.340 0.044 0.000 0.203 197 Q C -0.123 175.910 176.000 0.056 0.000 0.932 197 Q CA 0.420 56.225 55.803 0.003 0.000 0.945 197 Q CB 0.185 28.916 28.738 -0.013 0.000 1.045 197 Q HN 0.688 nan 8.270 nan 0.000 0.511 198 H N -0.427 118.634 119.070 -0.015 0.000 2.651 198 H HA 0.147 4.729 4.556 0.042 0.000 0.252 198 H C -2.209 173.107 175.328 -0.019 0.000 1.365 198 H CA -2.099 53.943 56.048 -0.009 0.000 1.539 198 H CB 1.287 31.046 29.762 -0.005 0.000 1.621 198 H HN -0.031 nan 8.280 nan 0.000 0.526 199 P HA -0.081 nan 4.420 nan 0.000 0.219 199 P C 1.374 178.698 177.300 0.039 0.000 1.150 199 P CA 0.828 63.964 63.100 0.060 0.000 0.814 199 P CB 0.475 32.195 31.700 0.033 0.000 0.787 200 S N -0.316 115.466 115.700 0.137 0.000 2.368 200 S HA -0.182 4.315 4.470 0.044 0.000 0.224 200 S C 1.958 176.499 174.600 -0.099 0.000 1.029 200 S CA 1.159 59.398 58.200 0.065 0.000 0.988 200 S CB -0.704 62.603 63.200 0.180 0.000 0.838 200 S HN 0.322 nan 8.310 nan 0.000 0.462 201 E N 0.713 120.693 120.200 -0.367 0.000 2.106 201 E HA -0.114 4.262 4.350 0.044 0.000 0.192 201 E C 1.827 178.310 176.600 -0.195 0.000 0.984 201 E CA 0.803 56.922 56.400 -0.467 0.000 0.806 201 E CB -0.023 29.117 29.700 -0.934 0.000 0.750 201 E HN 0.308 nan 8.360 nan 0.000 0.458 202 I N 1.519 121.999 120.570 -0.150 0.000 2.127 202 I HA -0.326 3.870 4.170 0.044 0.000 0.241 202 I C 2.696 178.733 176.117 -0.133 0.000 1.075 202 I CA 1.616 62.856 61.300 -0.098 0.000 1.334 202 I CB -1.514 36.445 38.000 -0.069 0.000 1.040 202 I HN 0.381 nan 8.210 nan 0.000 0.405 203 Q N 0.449 120.149 119.800 -0.167 0.000 2.045 203 Q HA -0.322 4.044 4.340 0.044 0.000 0.206 203 Q C 2.382 178.087 176.000 -0.492 0.000 0.991 203 Q CA 2.463 58.104 55.803 -0.270 0.000 0.851 203 Q CB -0.382 28.215 28.738 -0.236 0.000 0.911 203 Q HN 0.615 nan 8.270 nan 0.000 0.418 204 H N 0.145 118.840 119.070 -0.626 0.000 2.289 204 H HA -0.138 4.443 4.556 0.043 0.000 0.296 204 H C 1.932 177.089 175.328 -0.284 0.000 1.091 204 H CA 2.381 57.978 56.048 -0.750 0.000 1.274 204 H CB 0.202 29.808 29.762 -0.261 0.000 1.364 204 H HN 0.087 nan 8.280 nan 0.000 0.490 205 K N -0.048 120.340 120.400 -0.019 0.000 2.025 205 K HA -0.058 4.288 4.320 0.044 0.000 0.207 205 K C 2.436 179.008 176.600 -0.047 0.000 1.049 205 K CA 1.097 57.406 56.287 0.037 0.000 0.933 205 K CB -0.586 31.941 32.500 0.043 0.000 0.714 205 K HN 0.239 nan 8.250 nan 0.000 0.438 206 V N 1.873 121.722 119.914 -0.108 0.000 2.332 206 V HA -0.261 3.885 4.120 0.044 0.000 0.248 206 V C 2.497 178.508 176.094 -0.139 0.000 1.055 206 V CA 1.947 64.183 62.300 -0.106 0.000 1.038 206 V CB -0.786 30.970 31.823 -0.112 0.000 0.651 206 V HN 0.297 nan 8.190 nan 0.000 0.450 207 A N -0.626 122.039 122.820 -0.258 0.000 1.865 207 A HA -0.303 4.044 4.320 0.044 0.000 0.217 207 A C 1.990 179.423 177.584 -0.251 0.000 1.191 207 A CA 2.423 54.282 52.037 -0.297 0.000 0.623 207 A CB -0.916 17.784 19.000 -0.501 0.000 0.826 207 A HN 0.706 nan 8.150 nan 0.000 0.444 208 H N -0.683 118.294 119.070 -0.156 0.000 2.389 208 H HA 0.091 4.673 4.556 0.045 0.000 0.299 208 H C 2.443 177.735 175.328 -0.060 0.000 1.081 208 H CA 1.321 57.305 56.048 -0.107 0.000 1.345 208 H CB -0.079 29.612 29.762 -0.119 0.000 1.393 208 H HN 0.544 nan 8.280 nan 0.000 0.520 209 A N 0.699 123.557 122.820 0.063 0.000 1.883 209 A HA -0.135 4.212 4.320 0.044 0.000 0.217 209 A C 2.141 179.782 177.584 0.096 0.000 1.186 209 A CA 1.390 53.466 52.037 0.066 0.000 0.624 209 A CB -0.593 18.419 19.000 0.019 0.000 0.822 209 A HN 0.360 nan 8.150 nan 0.000 0.444 210 L N -1.375 119.862 121.223 0.024 0.000 2.446 210 L HA 0.169 4.536 4.340 0.044 0.000 0.219 210 L C 1.481 178.323 176.870 -0.046 0.000 1.116 210 L CA 0.479 55.346 54.840 0.046 0.000 0.844 210 L CB -0.473 41.577 42.059 -0.014 0.000 0.970 210 L HN 0.610 nan 8.230 nan 0.000 0.457 211 G N 1.546 110.159 108.800 -0.311 0.000 2.324 211 G HA2 -0.254 3.732 3.960 0.044 0.000 0.292 211 G HA3 -0.254 3.732 3.960 0.044 0.000 0.292 211 G C -0.349 174.356 174.900 -0.325 0.000 1.079 211 G CA -0.027 44.647 45.100 -0.710 0.000 1.026 211 G HN 0.218 nan 8.290 nan 0.000 0.506 212 L N -0.494 120.607 121.223 -0.203 0.000 2.341 212 L HA 0.843 5.209 4.340 0.044 0.000 0.267 212 L C 0.865 177.669 176.870 -0.110 0.000 1.009 212 L CA -0.927 53.844 54.840 -0.115 0.000 0.819 212 L CB 2.003 44.023 42.059 -0.066 0.000 1.323 212 L HN 0.394 nan 8.230 nan 0.000 0.425 213 A N 0.575 123.338 122.820 -0.095 0.000 2.407 213 A HA 0.269 4.615 4.320 0.044 0.000 0.248 213 A C 0.612 178.172 177.584 -0.039 0.000 1.082 213 A CA -0.103 51.825 52.037 -0.181 0.000 0.785 213 A CB 0.003 18.720 19.000 -0.473 0.000 1.020 213 A HN 0.614 nan 8.150 nan 0.000 0.489 214 F N 1.029 120.779 119.950 -0.334 0.000 2.236 214 F HA -0.219 4.337 4.527 0.047 0.000 0.302 214 F C 2.323 178.078 175.800 -0.076 0.000 1.073 214 F CA 2.159 60.040 58.000 -0.198 0.000 1.336 214 F CB -0.909 37.998 39.000 -0.155 0.000 1.040 214 F HN 0.889 nan 8.300 nan 0.000 0.507 215 H N -2.901 116.240 119.070 0.119 0.000 2.555 215 H HA 0.043 4.625 4.556 0.043 0.000 0.269 215 H C 0.616 175.950 175.328 0.010 0.000 0.988 215 H CA 0.675 56.752 56.048 0.048 0.000 1.178 215 H CB -0.159 29.620 29.762 0.028 0.000 1.373 215 H HN 0.124 nan 8.280 nan 0.000 0.588 216 D N 1.496 122.090 120.400 0.324 0.000 2.349 216 D HA 0.125 4.791 4.640 0.044 0.000 0.214 216 D C -0.205 176.119 176.300 0.039 0.000 1.063 216 D CA 0.144 54.236 54.000 0.155 0.000 0.847 216 D CB 1.044 41.933 40.800 0.148 0.000 0.933 216 D HN 0.165 nan 8.370 nan 0.000 0.513 217 V N 1.298 121.218 119.914 0.010 0.000 2.407 217 V HA 0.338 4.484 4.120 0.044 0.000 0.291 217 V C 0.007 176.067 176.094 -0.057 0.000 1.018 217 V CA -0.916 61.349 62.300 -0.058 0.000 0.842 217 V CB 2.591 34.334 31.823 -0.134 0.000 0.996 217 V HN -0.123 nan 8.190 nan 0.000 0.426 218 R N 3.860 124.319 120.500 -0.068 0.000 2.437 218 R HA 0.783 5.150 4.340 0.044 0.000 0.310 218 R C -1.908 174.319 176.300 -0.122 0.000 0.955 218 R CA -0.412 55.643 56.100 -0.076 0.000 0.851 218 R CB 2.044 32.306 30.300 -0.064 0.000 1.161 218 R HN 0.506 nan 8.270 nan 0.000 0.446 219 V N 4.494 124.339 119.914 -0.115 0.000 2.407 219 V HA 0.318 4.465 4.120 0.044 0.000 0.291 219 V C -0.552 175.462 176.094 -0.134 0.000 1.018 219 V CA -0.718 61.500 62.300 -0.137 0.000 0.842 219 V CB 1.536 33.302 31.823 -0.096 0.000 0.996 219 V HN 0.817 nan 8.190 nan 0.000 0.426 220 E N 4.729 124.798 120.200 -0.218 0.000 2.179 220 E HA 0.700 5.077 4.350 0.044 0.000 0.275 220 E C -0.649 175.921 176.600 -0.051 0.000 0.945 220 E CA -0.860 55.453 56.400 -0.144 0.000 0.792 220 E CB 2.320 31.904 29.700 -0.194 0.000 1.125 220 E HN 0.576 nan 8.360 nan 0.000 0.397 221 M N 2.979 122.580 119.600 0.002 0.000 2.134 221 M HA 0.291 4.798 4.480 0.044 0.000 0.249 221 M C -0.489 175.835 176.300 0.040 0.000 0.955 221 M CA -0.410 54.907 55.300 0.028 0.000 1.037 221 M CB 1.214 33.820 32.600 0.009 0.000 2.110 221 M HN 0.326 nan 8.290 nan 0.000 0.449 222 R N 3.312 123.842 120.500 0.049 0.000 2.055 222 R HA 0.361 4.728 4.340 0.044 0.000 0.226 222 R C -0.206 176.130 176.300 0.061 0.000 1.135 222 R CA 2.060 58.188 56.100 0.047 0.000 0.959 222 R CB 0.369 30.677 30.300 0.014 0.000 0.854 222 R HN 0.765 nan 8.270 nan 0.000 0.431 223 R N -1.555 118.954 120.500 0.015 0.000 2.663 223 R HA 0.418 4.784 4.340 0.044 0.000 0.267 223 R C -1.283 175.048 176.300 0.050 0.000 1.038 223 R CA -0.746 55.361 56.100 0.013 0.000 0.886 223 R CB 1.016 31.291 30.300 -0.041 0.000 1.249 223 R HN -0.005 nan 8.270 nan 0.000 0.463 224 M N 0.852 120.497 119.600 0.075 0.000 2.578 224 M HA 0.411 4.917 4.480 0.044 0.000 0.321 224 M C 0.647 177.066 176.300 0.198 0.000 1.182 224 M CA -0.744 54.614 55.300 0.097 0.000 0.965 224 M CB 2.368 34.948 32.600 -0.032 0.000 1.694 224 M HN 0.965 nan 8.290 nan 0.000 0.461 225 G N 1.265 110.158 108.800 0.155 0.000 3.581 225 G HA2 0.488 4.474 3.960 0.044 0.000 0.255 225 G HA3 0.488 4.474 3.960 0.044 0.000 0.255 225 G C 0.338 175.271 174.900 0.055 0.000 1.121 225 G CA 0.209 45.324 45.100 0.024 0.000 1.739 225 G HN 1.093 nan 8.290 nan 0.000 0.646 226 G N -1.357 107.450 108.800 0.012 0.000 2.777 226 G HA2 0.318 4.304 3.960 0.044 0.000 0.686 226 G HA3 0.318 4.304 3.960 0.044 0.000 0.686 226 G C 0.596 175.446 174.900 -0.083 0.000 1.177 226 G CA -0.364 44.700 45.100 -0.059 0.000 0.775 226 G HN 1.132 nan 8.290 nan 0.000 0.613 227 G N -0.445 108.178 108.800 -0.295 0.000 2.754 227 G HA2 0.527 4.513 3.960 0.044 0.000 0.205 227 G HA3 0.527 4.513 3.960 0.044 0.000 0.205 227 G C 0.883 175.808 174.900 0.042 0.000 1.213 227 G CA 0.833 45.842 45.100 -0.152 0.000 0.616 227 G HN 1.672 nan 8.290 nan 0.000 0.900 228 F N 0.686 120.649 119.950 0.022 0.000 3.069 228 F HA -0.205 4.349 4.527 0.045 0.000 0.285 228 F C 1.941 177.736 175.800 -0.010 0.000 0.827 228 F CA 1.078 59.084 58.000 0.011 0.000 1.108 228 F CB -1.435 37.552 39.000 -0.022 0.000 1.252 228 F HN 1.020 nan 8.300 nan 0.000 0.483 229 G N -1.164 107.685 108.800 0.082 0.000 2.232 229 G HA2 -0.170 3.816 3.960 0.044 0.000 0.226 229 G HA3 -0.170 3.816 3.960 0.044 0.000 0.226 229 G C 1.053 175.932 174.900 -0.034 0.000 0.996 229 G CA 0.010 45.183 45.100 0.121 0.000 0.626 229 G HN 1.249 nan 8.290 nan 0.000 0.509 230 G N -0.177 108.369 108.800 -0.423 0.000 2.920 230 G HA2 0.368 4.354 3.960 0.044 0.000 0.208 230 G HA3 0.368 4.354 3.960 0.044 0.000 0.208 230 G C 0.983 175.726 174.900 -0.262 0.000 1.159 230 G CA 1.061 45.728 45.100 -0.723 0.000 0.784 230 G HN 0.489 nan 8.290 nan 0.000 0.535 231 K N -0.252 120.034 120.400 -0.190 0.000 2.536 231 K HA 0.169 4.516 4.320 0.044 0.000 0.203 231 K C 1.274 177.850 176.600 -0.040 0.000 1.063 231 K CA -0.096 56.099 56.287 -0.155 0.000 1.063 231 K CB 0.832 33.185 32.500 -0.245 0.000 0.843 231 K HN 0.313 nan 8.250 nan 0.000 0.521 232 E N 0.937 121.146 120.200 0.016 0.000 2.107 232 E HA -0.125 4.251 4.350 0.044 0.000 0.191 232 E C 1.436 178.115 176.600 0.132 0.000 0.982 232 E CA 1.754 58.218 56.400 0.106 0.000 0.809 232 E CB 0.343 30.134 29.700 0.151 0.000 0.756 232 E HN 0.200 nan 8.360 nan 0.000 0.459 233 S N -1.657 114.098 115.700 0.092 0.000 2.648 233 S HA 0.091 4.588 4.470 0.044 0.000 0.270 233 S C 1.548 176.204 174.600 0.094 0.000 1.082 233 S CA -0.584 57.669 58.200 0.088 0.000 1.116 233 S CB 0.133 63.393 63.200 0.100 0.000 1.040 233 S HN 0.063 nan 8.310 nan 0.000 0.572 234 Q N 1.708 121.552 119.800 0.074 0.000 2.369 234 Q HA 0.148 4.514 4.340 0.044 0.000 0.206 234 Q C 1.973 178.025 176.000 0.088 0.000 0.963 234 Q CA 1.293 57.154 55.803 0.096 0.000 0.894 234 Q CB -0.814 27.966 28.738 0.070 0.000 0.965 234 Q HN 0.710 nan 8.270 nan 0.000 0.475 235 G N 1.518 110.335 108.800 0.029 0.000 2.422 235 G HA2 -0.289 3.697 3.960 0.044 0.000 0.218 235 G HA3 -0.289 3.697 3.960 0.044 0.000 0.218 235 G C 1.252 176.184 174.900 0.053 0.000 1.146 235 G CA 0.741 45.837 45.100 -0.007 0.000 0.769 235 G HN 0.441 nan 8.290 nan 0.000 0.547 236 N N 0.138 118.893 118.700 0.093 0.000 2.036 236 N HA -0.249 4.517 4.740 0.044 0.000 0.199 236 N C 1.925 177.517 175.510 0.136 0.000 1.036 236 N CA 1.580 54.684 53.050 0.090 0.000 0.870 236 N CB -0.388 38.151 38.487 0.086 0.000 1.055 236 N HN 0.384 nan 8.380 nan 0.000 0.436 237 H N 0.147 119.300 119.070 0.138 0.000 2.325 237 H HA -0.146 4.436 4.556 0.043 0.000 0.293 237 H C 1.980 177.470 175.328 0.270 0.000 1.106 237 H CA 1.623 57.825 56.048 0.257 0.000 1.247 237 H CB -0.320 29.668 29.762 0.377 0.000 1.359 237 H HN 0.135 nan 8.280 nan 0.000 0.488 238 L N -0.454 120.915 121.223 0.244 0.000 2.072 238 L HA -0.067 4.300 4.340 0.044 0.000 0.205 238 L C 2.711 179.581 176.870 0.001 0.000 1.079 238 L CA 1.452 56.316 54.840 0.040 0.000 0.752 238 L CB -0.761 41.202 42.059 -0.161 0.000 0.906 238 L HN 0.311 nan 8.230 nan 0.000 0.436 239 A N -0.037 122.784 122.820 0.002 0.000 1.877 239 A HA -0.173 4.174 4.320 0.044 0.000 0.216 239 A C 2.318 179.890 177.584 -0.021 0.000 1.186 239 A CA 1.802 53.826 52.037 -0.022 0.000 0.620 239 A CB -0.820 18.162 19.000 -0.029 0.000 0.822 239 A HN 0.346 nan 8.150 nan 0.000 0.443 240 I N -0.114 120.458 120.570 0.003 0.000 2.179 240 I HA -0.294 3.903 4.170 0.044 0.000 0.242 240 I C 2.985 179.093 176.117 -0.014 0.000 1.088 240 I CA 1.167 62.463 61.300 -0.006 0.000 1.357 240 I CB -0.369 37.630 38.000 -0.002 0.000 1.051 240 I HN 0.344 nan 8.210 nan 0.000 0.409 241 A N -0.102 122.737 122.820 0.032 0.000 1.883 241 A HA -0.262 4.085 4.320 0.044 0.000 0.217 241 A C 2.464 179.983 177.584 -0.108 0.000 1.186 241 A CA 2.109 54.139 52.037 -0.013 0.000 0.624 241 A CB -1.339 17.658 19.000 -0.005 0.000 0.822 241 A HN 0.563 nan 8.150 nan 0.000 0.444 242 C N -1.220 118.030 119.300 -0.083 0.000 2.436 242 C HA 0.065 4.551 4.460 0.044 0.000 0.277 242 C C 3.360 178.298 174.990 -0.088 0.000 1.241 242 C CA 0.827 59.794 59.018 -0.085 0.000 1.721 242 C CB -1.395 26.307 27.740 -0.063 0.000 2.043 242 C HN 0.717 nan 8.230 nan 0.000 0.472 243 A N 0.182 122.957 122.820 -0.075 0.000 1.908 243 A HA -0.138 4.209 4.320 0.044 0.000 0.218 243 A C 2.292 179.822 177.584 -0.090 0.000 1.181 243 A CA 2.300 54.296 52.037 -0.068 0.000 0.627 243 A CB -0.827 18.138 19.000 -0.059 0.000 0.818 243 A HN 0.381 nan 8.150 nan 0.000 0.445 244 V N -0.394 119.438 119.914 -0.136 0.000 2.295 244 V HA -0.242 3.904 4.120 0.044 0.000 0.246 244 V C 3.050 178.945 176.094 -0.332 0.000 1.049 244 V CA 2.093 64.263 62.300 -0.217 0.000 1.024 244 V CB -1.120 30.539 31.823 -0.274 0.000 0.648 244 V HN 0.630 nan 8.190 nan 0.000 0.447 245 A N -0.424 122.163 122.820 -0.389 0.000 1.929 245 A HA 0.008 4.354 4.320 0.044 0.000 0.216 245 A C 2.382 179.941 177.584 -0.042 0.000 1.176 245 A CA 1.766 53.615 52.037 -0.314 0.000 0.628 245 A CB -0.660 18.237 19.000 -0.171 0.000 0.816 245 A HN 0.550 nan 8.150 nan 0.000 0.444 246 A N -0.138 122.650 122.820 -0.053 0.000 1.877 246 A HA -0.160 4.186 4.320 0.044 0.000 0.216 246 A C 2.253 179.841 177.584 0.006 0.000 1.186 246 A CA 1.674 53.703 52.037 -0.012 0.000 0.620 246 A CB -0.527 18.459 19.000 -0.025 0.000 0.822 246 A HN 0.528 nan 8.150 nan 0.000 0.443 247 R N -0.421 120.073 120.500 -0.009 0.000 2.083 247 R HA -0.147 4.219 4.340 0.044 0.000 0.237 247 R C 2.314 178.643 176.300 0.048 0.000 1.137 247 R CA 1.573 57.681 56.100 0.014 0.000 0.951 247 R CB -0.395 29.909 30.300 0.007 0.000 0.851 247 R HN 0.462 nan 8.270 nan 0.000 0.434 248 A N -0.026 122.840 122.820 0.077 0.000 1.855 248 A HA -0.144 4.202 4.320 0.044 0.000 0.215 248 A C 2.189 179.863 177.584 0.150 0.000 1.191 248 A CA 2.024 54.160 52.037 0.165 0.000 0.613 248 A CB -0.916 18.306 19.000 0.370 0.000 0.829 248 A HN 0.621 nan 8.150 nan 0.000 0.442 249 T N -4.197 110.450 114.554 0.154 0.000 3.067 249 T HA 0.353 4.730 4.350 0.044 0.000 0.261 249 T C 1.518 176.258 174.700 0.067 0.000 1.110 249 T CA 1.202 63.369 62.100 0.112 0.000 1.113 249 T CB -0.128 68.812 68.868 0.120 0.000 0.917 249 T HN 1.762 nan 8.240 nan 0.000 0.499 250 G N 2.288 111.121 108.800 0.055 0.000 2.162 250 G HA2 -0.279 3.708 3.960 0.044 0.000 0.260 250 G HA3 -0.279 3.708 3.960 0.044 0.000 0.260 250 G C 0.082 174.998 174.900 0.026 0.000 0.976 250 G CA 0.254 45.375 45.100 0.036 0.000 0.655 250 G HN 1.010 nan 8.290 nan 0.000 0.533 251 R N -1.225 119.290 120.500 0.026 0.000 2.836 251 R HA 0.734 5.100 4.340 0.044 0.000 0.269 251 R C -3.285 173.015 176.300 0.000 0.000 1.010 251 R CA -2.346 53.763 56.100 0.014 0.000 0.930 251 R CB 0.897 31.207 30.300 0.016 0.000 1.218 251 R HN 0.027 nan 8.270 nan 0.000 0.473 252 P HA 0.041 nan 4.420 nan 0.000 0.266 252 P C -0.763 176.500 177.300 -0.061 0.000 1.195 252 P CA -0.328 62.754 63.100 -0.030 0.000 0.768 252 P CB 0.472 32.152 31.700 -0.033 0.000 0.838 253 C N 3.699 122.960 119.300 -0.065 0.000 2.397 253 C HA 0.433 4.920 4.460 0.044 0.000 0.325 253 C C 0.178 175.108 174.990 -0.099 0.000 1.201 253 C CA -0.408 58.556 59.018 -0.090 0.000 1.377 253 C CB 0.587 28.292 27.740 -0.058 0.000 2.038 253 C HN 0.539 nan 8.230 nan 0.000 0.457 254 K N 3.578 123.883 120.400 -0.157 0.000 2.164 254 K HA 0.792 5.138 4.320 0.044 0.000 0.258 254 K C -1.018 175.562 176.600 -0.032 0.000 0.951 254 K CA -0.421 55.807 56.287 -0.098 0.000 0.844 254 K CB 1.234 33.664 32.500 -0.118 0.000 1.099 254 K HN 0.813 nan 8.250 nan 0.000 0.435 255 M N 4.516 124.108 119.600 -0.014 0.000 2.271 255 M HA 0.365 4.871 4.480 0.044 0.000 0.285 255 M C -1.863 174.432 176.300 -0.008 0.000 1.059 255 M CA -0.612 54.691 55.300 0.005 0.000 0.940 255 M CB 1.638 34.184 32.600 -0.089 0.000 1.636 255 M HN 0.712 nan 8.290 nan 0.000 0.460 256 R N 3.634 124.189 120.500 0.091 0.000 2.574 256 R HA 0.477 4.843 4.340 0.044 0.000 0.288 256 R C -1.844 174.607 176.300 0.253 0.000 1.004 256 R CA -0.791 55.339 56.100 0.050 0.000 0.895 256 R CB 1.157 31.453 30.300 -0.007 0.000 1.191 256 R HN 0.612 nan 8.270 nan 0.000 0.444 257 Y N 1.274 121.636 120.300 0.103 0.000 2.511 257 Y HA -0.034 4.545 4.550 0.048 0.000 0.332 257 Y C 0.680 176.658 175.900 0.130 0.000 1.177 257 Y CA -0.408 57.767 58.100 0.125 0.000 1.422 257 Y CB 0.897 39.427 38.460 0.116 0.000 1.271 257 Y HN 0.667 nan 8.280 nan 0.000 0.550 258 D N 1.785 122.371 120.400 0.311 0.000 2.372 258 D HA 0.039 4.705 4.640 0.044 0.000 0.243 258 D C 1.202 177.592 176.300 0.149 0.000 1.121 258 D CA -0.209 53.917 54.000 0.210 0.000 0.898 258 D CB 1.023 41.932 40.800 0.181 0.000 1.202 258 D HN 0.442 nan 8.370 nan 0.000 0.428 259 R N 1.835 122.393 120.500 0.097 0.000 2.133 259 R HA -0.192 4.174 4.340 0.044 0.000 0.247 259 R C 0.921 177.266 176.300 0.075 0.000 1.151 259 R CA 2.028 58.155 56.100 0.046 0.000 0.971 259 R CB -0.169 30.136 30.300 0.009 0.000 0.866 259 R HN 0.544 nan 8.270 nan 0.000 0.447 260 D N -0.240 120.226 120.400 0.109 0.000 2.144 260 D HA -0.104 4.563 4.640 0.044 0.000 0.200 260 D C 1.254 177.606 176.300 0.087 0.000 0.978 260 D CA 1.397 55.500 54.000 0.171 0.000 0.833 260 D CB -0.149 40.770 40.800 0.199 0.000 0.961 260 D HN 0.263 nan 8.370 nan 0.000 0.470 261 D N 0.254 120.668 120.400 0.023 0.000 2.097 261 D HA -0.144 4.522 4.640 0.044 0.000 0.197 261 D C 1.675 177.888 176.300 -0.145 0.000 0.984 261 D CA 0.737 54.678 54.000 -0.100 0.000 0.826 261 D CB -0.424 40.285 40.800 -0.151 0.000 0.973 261 D HN 0.141 nan 8.370 nan 0.000 0.460 262 D N 0.355 120.748 120.400 -0.011 0.000 2.160 262 D HA -0.186 4.481 4.640 0.044 0.000 0.189 262 D C 2.071 178.416 176.300 0.075 0.000 1.003 262 D CA 1.173 55.254 54.000 0.136 0.000 0.846 262 D CB -0.051 40.882 40.800 0.223 0.000 0.949 262 D HN 0.180 nan 8.370 nan 0.000 0.446 263 M N -0.172 119.453 119.600 0.042 0.000 2.229 263 M HA -0.111 4.396 4.480 0.044 0.000 0.264 263 M C 2.410 178.743 176.300 0.054 0.000 1.063 263 M CA 0.557 55.875 55.300 0.029 0.000 1.114 263 M CB 0.002 32.615 32.600 0.022 0.000 1.387 263 M HN -0.055 nan 8.290 nan 0.000 0.420 264 V N 0.604 120.542 119.914 0.040 0.000 2.453 264 V HA -0.199 3.948 4.120 0.044 0.000 0.247 264 V C 2.129 178.305 176.094 0.137 0.000 1.048 264 V CA 1.478 63.809 62.300 0.051 0.000 1.049 264 V CB -0.339 31.451 31.823 -0.055 0.000 0.672 264 V HN 0.388 nan 8.190 nan 0.000 0.457 265 I N 0.015 120.607 120.570 0.038 0.000 2.296 265 I HA -0.048 4.149 4.170 0.044 0.000 0.242 265 I C 1.526 177.742 176.117 0.164 0.000 1.087 265 I CA 1.050 62.396 61.300 0.076 0.000 1.393 265 I CB -0.459 37.410 38.000 -0.218 0.000 1.093 265 I HN 0.414 nan 8.210 nan 0.000 0.421 266 T N -0.358 114.276 114.554 0.134 0.000 2.849 266 T HA 0.486 4.862 4.350 0.044 0.000 0.284 266 T C 0.445 175.213 174.700 0.114 0.000 1.004 266 T CA -0.472 61.718 62.100 0.150 0.000 1.021 266 T CB 1.370 70.372 68.868 0.224 0.000 1.013 266 T HN 0.235 nan 8.240 nan 0.000 0.527 267 G N 0.380 109.238 108.800 0.097 0.000 2.588 267 G HA2 0.563 4.550 3.960 0.044 0.000 0.278 267 G HA3 0.563 4.550 3.960 0.044 0.000 0.278 267 G C -0.628 174.363 174.900 0.152 0.000 1.307 267 G CA -0.799 44.346 45.100 0.075 0.000 1.016 267 G HN 0.826 nan 8.290 nan 0.000 0.503 268 K N -1.565 118.907 120.400 0.120 0.000 2.399 268 K HA 0.412 4.758 4.320 0.044 0.000 0.260 268 K C -0.085 176.586 176.600 0.118 0.000 1.049 268 K CA -0.904 55.485 56.287 0.170 0.000 0.890 268 K CB 1.895 34.485 32.500 0.150 0.000 1.430 268 K HN 0.457 nan 8.250 nan 0.000 0.459 269 R N 1.219 121.812 120.500 0.154 0.000 2.570 269 R HA 0.021 4.388 4.340 0.044 0.000 0.277 269 R C -0.791 175.554 176.300 0.075 0.000 1.039 269 R CA 0.036 56.180 56.100 0.074 0.000 1.065 269 R CB 0.107 30.279 30.300 -0.214 0.000 0.964 269 R HN 0.526 nan 8.270 nan 0.000 0.428 270 H N 2.810 121.939 119.070 0.099 0.000 3.091 270 H HA -0.036 4.546 4.556 0.044 0.000 0.289 270 H C -0.258 175.223 175.328 0.255 0.000 0.995 270 H CA 0.616 56.737 56.048 0.122 0.000 1.461 270 H CB 0.206 30.030 29.762 0.104 0.000 1.510 270 H HN 0.526 nan 8.280 nan 0.000 0.546 271 D N 3.326 123.879 120.400 0.255 0.000 2.345 271 D HA 0.120 4.786 4.640 0.044 0.000 0.247 271 D C -0.276 176.134 176.300 0.185 0.000 1.108 271 D CA -0.186 53.983 54.000 0.281 0.000 0.894 271 D CB 0.920 41.844 40.800 0.207 0.000 1.203 271 D HN 0.275 nan 8.370 nan 0.000 0.430 272 F N -0.267 119.690 119.950 0.011 0.000 2.561 272 F HA 0.408 4.961 4.527 0.043 0.000 0.321 272 F C 0.779 176.508 175.800 -0.119 0.000 1.065 272 F CA -1.213 56.752 58.000 -0.059 0.000 0.934 272 F CB 2.422 41.343 39.000 -0.133 0.000 1.215 272 F HN 0.093 nan 8.300 nan 0.000 0.471 273 R N 3.247 123.781 120.500 0.056 0.000 2.393 273 R HA 0.624 4.990 4.340 0.044 0.000 0.315 273 R C -1.639 174.704 176.300 0.071 0.000 0.952 273 R CA -0.413 55.689 56.100 0.003 0.000 0.842 273 R CB 0.940 31.245 30.300 0.008 0.000 1.163 273 R HN 0.686 nan 8.270 nan 0.000 0.450 274 I N 4.734 125.309 120.570 0.008 0.000 2.390 274 I HA 0.351 4.547 4.170 0.044 0.000 0.283 274 I C -0.043 176.308 176.117 0.391 0.000 1.016 274 I CA -0.665 60.763 61.300 0.213 0.000 1.151 274 I CB 1.675 39.765 38.000 0.149 0.000 1.293 274 I HN 0.419 nan 8.210 nan 0.000 0.458 275 R N 6.466 127.173 120.500 0.345 0.000 2.312 275 R HA 0.529 4.895 4.340 0.044 0.000 0.311 275 R C -1.528 174.954 176.300 0.304 0.000 1.004 275 R CA -0.410 55.823 56.100 0.223 0.000 0.902 275 R CB 1.157 31.520 30.300 0.107 0.000 1.073 275 R HN 0.553 nan 8.270 nan 0.000 0.457 276 Y N 0.066 120.452 120.300 0.142 0.000 2.581 276 Y HA 0.619 5.196 4.550 0.044 0.000 0.345 276 Y C -1.247 174.552 175.900 -0.168 0.000 1.036 276 Y CA -1.420 56.664 58.100 -0.026 0.000 1.042 276 Y CB 1.525 40.031 38.460 0.077 0.000 1.289 276 Y HN 0.399 nan 8.280 nan 0.000 0.471 277 R N 3.441 123.871 120.500 -0.117 0.000 2.518 277 R HA 0.619 4.985 4.340 0.044 0.000 0.296 277 R C -1.879 174.325 176.300 -0.159 0.000 1.080 277 R CA -0.586 55.432 56.100 -0.137 0.000 0.922 277 R CB 2.343 32.557 30.300 -0.143 0.000 1.184 277 R HN 0.925 nan 8.270 nan 0.000 0.445 278 I N 1.060 121.577 120.570 -0.088 0.000 2.569 278 I HA 0.727 4.923 4.170 0.044 0.000 0.296 278 I C -0.589 175.485 176.117 -0.072 0.000 1.028 278 I CA -0.497 60.737 61.300 -0.110 0.000 1.082 278 I CB 2.147 40.086 38.000 -0.102 0.000 1.264 278 I HN 0.728 nan 8.210 nan 0.000 0.429 279 G N 4.955 113.715 108.800 -0.066 0.000 2.620 279 G HA2 0.823 4.809 3.960 0.044 0.000 0.301 279 G HA3 0.823 4.809 3.960 0.044 0.000 0.301 279 G C -1.800 173.088 174.900 -0.021 0.000 1.347 279 G CA -0.386 44.695 45.100 -0.032 0.000 0.971 279 G HN 0.876 nan 8.290 nan 0.000 0.488 280 A N 0.970 123.802 122.820 0.020 0.000 2.530 280 A HA 0.872 5.218 4.320 0.044 0.000 0.288 280 A C -0.644 176.988 177.584 0.080 0.000 1.172 280 A CA -0.510 51.544 52.037 0.029 0.000 0.733 280 A CB 1.685 20.687 19.000 0.003 0.000 1.320 280 A HN 0.874 nan 8.150 nan 0.000 0.419 281 D N -0.484 119.959 120.400 0.071 0.000 2.529 281 D HA 0.575 5.242 4.640 0.044 0.000 0.273 281 D C 1.189 177.579 176.300 0.149 0.000 1.197 281 D CA 0.148 54.195 54.000 0.077 0.000 1.070 281 D CB 0.609 41.432 40.800 0.039 0.000 1.134 281 D HN 0.593 nan 8.370 nan 0.000 0.590 282 A N 0.071 122.952 122.820 0.101 0.000 1.892 282 A HA -0.204 4.143 4.320 0.044 0.000 0.218 282 A C 2.096 179.743 177.584 0.105 0.000 1.188 282 A CA 2.993 55.108 52.037 0.130 0.000 0.631 282 A CB -1.430 17.604 19.000 0.056 0.000 0.822 282 A HN 0.684 nan 8.150 nan 0.000 0.447 283 S N -2.070 113.664 115.700 0.057 0.000 2.453 283 S HA 0.320 4.817 4.470 0.044 0.000 0.231 283 S C 1.439 176.044 174.600 0.008 0.000 1.005 283 S CA 1.281 59.498 58.200 0.029 0.000 0.949 283 S CB -0.305 62.908 63.200 0.022 0.000 0.774 283 S HN 2.058 nan 8.310 nan 0.000 0.510 284 G N 0.514 109.321 108.800 0.011 0.000 2.138 284 G HA2 -0.141 3.845 3.960 0.044 0.000 0.193 284 G HA3 -0.141 3.845 3.960 0.044 0.000 0.193 284 G C -0.208 174.670 174.900 -0.037 0.000 0.998 284 G CA -0.328 44.752 45.100 -0.034 0.000 0.668 284 G HN 0.409 nan 8.290 nan 0.000 0.516 285 K N 0.573 120.968 120.400 -0.007 0.000 2.172 285 K HA 0.484 4.831 4.320 0.044 0.000 0.276 285 K C 0.990 177.587 176.600 -0.006 0.000 1.013 285 K CA -0.619 55.667 56.287 -0.002 0.000 0.913 285 K CB 1.435 33.952 32.500 0.029 0.000 1.055 285 K HN 0.277 nan 8.250 nan 0.000 0.461 286 L N 4.385 125.594 121.223 -0.024 0.000 2.499 286 L HA -0.023 4.344 4.340 0.044 0.000 0.273 286 L C 1.538 178.391 176.870 -0.028 0.000 1.195 286 L CA 0.092 54.906 54.840 -0.043 0.000 0.882 286 L CB 0.151 42.168 42.059 -0.071 0.000 1.133 286 L HN 0.504 nan 8.230 nan 0.000 0.483 287 L N 2.722 123.926 121.223 -0.031 0.000 2.425 287 L HA 0.368 4.734 4.340 0.044 0.000 0.215 287 L C 0.901 177.741 176.870 -0.050 0.000 1.065 287 L CA 0.255 55.079 54.840 -0.027 0.000 0.842 287 L CB 0.192 42.243 42.059 -0.014 0.000 1.033 287 L HN 0.766 nan 8.230 nan 0.000 0.474 288 G N -0.589 108.174 108.800 -0.061 0.000 2.579 288 G HA2 0.651 4.637 3.960 0.044 0.000 0.292 288 G HA3 0.651 4.637 3.960 0.044 0.000 0.292 288 G C -2.119 172.724 174.900 -0.095 0.000 1.484 288 G CA 0.112 45.170 45.100 -0.070 0.000 0.813 288 G HN 0.027 nan 8.290 nan 0.000 0.515 289 A N 0.490 123.242 122.820 -0.113 0.000 2.465 289 A HA 0.700 5.046 4.320 0.044 0.000 0.292 289 A C -1.840 175.562 177.584 -0.303 0.000 1.041 289 A CA -0.486 51.404 52.037 -0.246 0.000 0.718 289 A CB 2.139 21.041 19.000 -0.162 0.000 1.266 289 A HN 0.733 nan 8.150 nan 0.000 0.403 290 D N 1.753 121.901 120.400 -0.419 0.000 2.425 290 D HA 0.668 5.334 4.640 0.044 0.000 0.240 290 D C -1.270 174.810 176.300 -0.366 0.000 1.080 290 D CA 0.070 53.910 54.000 -0.266 0.000 0.836 290 D CB 0.435 41.162 40.800 -0.122 0.000 1.125 290 D HN 0.235 nan 8.370 nan 0.000 0.525 291 F N 2.237 122.239 119.950 0.087 0.000 2.480 291 F HA 0.560 5.114 4.527 0.045 0.000 0.329 291 F C 0.032 175.907 175.800 0.126 0.000 1.091 291 F CA -1.045 57.047 58.000 0.154 0.000 0.972 291 F CB 2.007 41.099 39.000 0.154 0.000 1.150 291 F HN -0.008 nan 8.300 nan 0.000 0.467 292 V N 2.507 122.678 119.914 0.428 0.000 2.444 292 V HA 0.297 4.443 4.120 0.044 0.000 0.294 292 V C -0.631 175.779 176.094 0.527 0.000 1.022 292 V CA -0.734 61.782 62.300 0.360 0.000 0.850 292 V CB 1.316 33.293 31.823 0.257 0.000 0.992 292 V HN 0.734 nan 8.190 nan 0.000 0.426 293 H N 5.666 124.909 119.070 0.288 0.000 2.519 293 H HA 0.549 5.131 4.556 0.044 0.000 0.316 293 H C -0.857 174.610 175.328 0.230 0.000 1.065 293 H CA -0.742 55.493 56.048 0.311 0.000 1.264 293 H CB 1.648 31.621 29.762 0.352 0.000 1.413 293 H HN 0.423 nan 8.280 nan 0.000 0.465 294 L N 3.429 124.776 121.223 0.206 0.000 2.324 294 L HA 0.468 4.834 4.340 0.044 0.000 0.274 294 L C -0.053 176.667 176.870 -0.250 0.000 1.012 294 L CA -0.657 54.193 54.840 0.017 0.000 0.859 294 L CB 1.210 43.256 42.059 -0.022 0.000 1.224 294 L HN 0.574 nan 8.230 nan 0.000 0.429 295 A N 3.817 126.387 122.820 -0.417 0.000 2.292 295 A HA 0.570 4.916 4.320 0.044 0.000 0.319 295 A C -0.276 177.142 177.584 -0.277 0.000 1.206 295 A CA -0.619 50.965 52.037 -0.756 0.000 0.835 295 A CB 0.955 19.310 19.000 -1.075 0.000 1.164 295 A HN 0.727 nan 8.150 nan 0.000 0.505 296 R N 2.386 122.769 120.500 -0.195 0.000 2.234 296 R HA 0.321 4.687 4.340 0.044 0.000 0.324 296 R C -0.369 175.946 176.300 0.024 0.000 1.054 296 R CA -0.223 55.833 56.100 -0.074 0.000 0.912 296 R CB 0.496 30.739 30.300 -0.096 0.000 1.030 296 R HN 0.813 nan 8.270 nan 0.000 0.455 297 C N 2.980 122.330 119.300 0.083 0.000 3.019 297 C HA 0.373 4.859 4.460 0.044 0.000 0.295 297 C C 1.050 176.062 174.990 0.036 0.000 1.256 297 C CA 0.381 59.487 59.018 0.148 0.000 1.706 297 C CB -0.613 27.309 27.740 0.303 0.000 2.153 297 C HN 1.117 nan 8.230 nan 0.000 0.618 298 G N 1.096 109.921 108.800 0.042 0.000 2.698 298 G HA2 -0.226 3.760 3.960 0.044 0.000 0.225 298 G HA3 -0.226 3.760 3.960 0.044 0.000 0.225 298 G C 0.400 175.409 174.900 0.183 0.000 1.345 298 G CA 0.101 45.227 45.100 0.043 0.000 0.871 298 G HN 0.575 nan 8.290 nan 0.000 0.540 299 W N 0.001 121.285 121.300 -0.025 0.000 2.425 299 W HA 0.369 5.054 4.660 0.042 0.000 0.277 299 W C 0.698 177.321 176.519 0.174 0.000 1.231 299 W CA 1.271 58.658 57.345 0.070 0.000 1.248 299 W CB -0.953 28.576 29.460 0.115 0.000 1.117 299 W HN 1.195 nan 8.180 nan 0.000 0.568 300 S N -0.583 114.759 115.700 -0.597 0.000 2.570 300 S HA 0.606 5.103 4.470 0.044 0.000 0.286 300 S C 0.890 175.105 174.600 -0.642 0.000 1.099 300 S CA -0.003 57.765 58.200 -0.719 0.000 0.913 300 S CB 1.758 64.071 63.200 -1.478 0.000 1.085 300 S HN 0.161 nan 8.310 nan 0.000 0.480 301 A N 3.009 125.339 122.820 -0.817 0.000 1.883 301 A HA 0.016 4.362 4.320 0.044 0.000 0.217 301 A C 1.221 178.482 177.584 -0.539 0.000 1.186 301 A CA 2.490 53.899 52.037 -1.048 0.000 0.624 301 A CB -1.704 16.875 19.000 -0.703 0.000 0.822 301 A HN 1.205 nan 8.150 nan 0.000 0.444 302 D N -2.156 118.034 120.400 -0.351 0.000 3.899 302 D HA -0.252 4.414 4.640 0.044 0.000 0.146 302 D C 0.334 176.582 176.300 -0.087 0.000 0.820 302 D CA 2.419 56.316 54.000 -0.172 0.000 1.056 302 D CB -1.069 39.651 40.800 -0.133 0.000 0.474 302 D HN 0.237 nan 8.370 nan 0.000 0.457 303 L N 0.333 121.549 121.223 -0.012 0.000 3.110 303 L HA 0.331 4.698 4.340 0.044 0.000 0.266 303 L C 1.438 178.289 176.870 -0.031 0.000 1.257 303 L CA -0.159 54.717 54.840 0.061 0.000 1.038 303 L CB 0.507 42.688 42.059 0.203 0.000 1.395 303 L HN 0.135 nan 8.230 nan 0.000 0.566 304 S N 0.390 116.034 115.700 -0.093 0.000 2.368 304 S HA -0.176 4.320 4.470 0.044 0.000 0.224 304 S C 1.836 176.313 174.600 -0.206 0.000 1.029 304 S CA 1.268 59.342 58.200 -0.209 0.000 0.988 304 S CB -0.045 63.070 63.200 -0.142 0.000 0.838 304 S HN 0.471 nan 8.310 nan 0.000 0.462 305 L N 2.716 123.874 121.223 -0.110 0.000 1.971 305 L HA -0.100 4.266 4.340 0.044 0.000 0.215 305 L C -0.842 176.063 176.870 0.058 0.000 1.072 305 L CA 1.737 56.563 54.840 -0.023 0.000 0.758 305 L CB -1.142 40.917 42.059 0.001 0.000 0.889 305 L HN 0.219 nan 8.230 nan 0.000 0.433 306 P HA -0.120 nan 4.420 nan 0.000 0.218 306 P C 1.959 179.447 177.300 0.312 0.000 1.149 306 P CA 1.312 64.610 63.100 0.329 0.000 0.817 306 P CB -0.028 31.982 31.700 0.516 0.000 0.785 307 V N 0.567 120.411 119.914 -0.118 0.000 2.255 307 V HA -0.256 3.890 4.120 0.044 0.000 0.247 307 V C 2.805 178.842 176.094 -0.095 0.000 1.051 307 V CA 2.259 64.279 62.300 -0.467 0.000 1.018 307 V CB -1.469 29.882 31.823 -0.786 0.000 0.641 307 V HN 0.171 nan 8.190 nan 0.000 0.445 308 C N -0.267 118.993 119.300 -0.067 0.000 2.448 308 C HA -0.081 4.405 4.460 0.044 0.000 0.280 308 C C 2.398 177.451 174.990 0.106 0.000 1.398 308 C CA 0.328 59.395 59.018 0.081 0.000 1.774 308 C CB -1.129 26.617 27.740 0.011 0.000 1.888 308 C HN 0.601 nan 8.230 nan 0.000 0.519 309 D N 0.602 121.087 120.400 0.142 0.000 2.097 309 D HA -0.119 4.547 4.640 0.044 0.000 0.197 309 D C 2.335 178.821 176.300 0.310 0.000 0.984 309 D CA 1.023 55.182 54.000 0.265 0.000 0.826 309 D CB -0.428 40.619 40.800 0.412 0.000 0.973 309 D HN 0.458 nan 8.370 nan 0.000 0.460 310 R N 0.480 121.154 120.500 0.291 0.000 2.115 310 R HA -0.041 4.326 4.340 0.044 0.000 0.230 310 R C 2.061 178.551 176.300 0.317 0.000 1.111 310 R CA 1.185 57.477 56.100 0.321 0.000 0.976 310 R CB -0.071 30.429 30.300 0.333 0.000 0.870 310 R HN 0.089 nan 8.270 nan 0.000 0.445 311 A N 1.031 123.975 122.820 0.207 0.000 1.865 311 A HA -0.220 4.126 4.320 0.044 0.000 0.217 311 A C 2.211 179.969 177.584 0.291 0.000 1.191 311 A CA 1.767 53.907 52.037 0.170 0.000 0.623 311 A CB -0.512 18.573 19.000 0.142 0.000 0.826 311 A HN 0.350 nan 8.150 nan 0.000 0.444 312 M N -1.236 118.510 119.600 0.243 0.000 2.117 312 M HA -0.131 4.375 4.480 0.044 0.000 0.262 312 M C 1.981 178.603 176.300 0.537 0.000 1.065 312 M CA 1.101 56.522 55.300 0.201 0.000 1.114 312 M CB -0.434 32.068 32.600 -0.164 0.000 1.361 312 M HN 0.315 nan 8.290 nan 0.000 0.408 313 L N -0.537 120.989 121.223 0.505 0.000 2.129 313 L HA -0.222 4.145 4.340 0.044 0.000 0.212 313 L C 1.814 178.873 176.870 0.316 0.000 1.087 313 L CA 2.041 57.047 54.840 0.277 0.000 0.757 313 L CB -1.232 40.812 42.059 -0.024 0.000 0.896 313 L HN 0.334 nan 8.230 nan 0.000 0.434 314 H N -2.210 117.038 119.070 0.297 0.000 2.586 314 H HA 0.336 4.918 4.556 0.044 0.000 0.273 314 H C 1.847 177.290 175.328 0.193 0.000 0.997 314 H CA 0.523 56.707 56.048 0.226 0.000 1.177 314 H CB 0.163 29.980 29.762 0.092 0.000 1.471 314 H HN 0.213 nan 8.280 nan 0.000 0.538 315 A N 0.895 123.865 122.820 0.249 0.000 2.225 315 A HA -0.141 4.205 4.320 0.044 0.000 0.215 315 A C 1.590 179.118 177.584 -0.093 0.000 1.164 315 A CA 1.433 53.426 52.037 -0.074 0.000 0.710 315 A CB -0.190 18.676 19.000 -0.224 0.000 0.780 315 A HN 0.573 nan 8.150 nan 0.000 0.473 316 D N -1.476 119.023 120.400 0.165 0.000 2.349 316 D HA 0.228 4.894 4.640 0.044 0.000 0.215 316 D C 1.265 177.720 176.300 0.258 0.000 1.016 316 D CA 0.928 55.073 54.000 0.242 0.000 0.870 316 D CB -0.560 40.503 40.800 0.437 0.000 0.917 316 D HN 0.520 nan 8.370 nan 0.000 0.524 317 G N 1.156 110.081 108.800 0.208 0.000 2.622 317 G HA2 -0.350 3.636 3.960 0.044 0.000 0.307 317 G HA3 -0.350 3.636 3.960 0.044 0.000 0.307 317 G C 0.748 175.637 174.900 -0.018 0.000 1.226 317 G CA 0.769 45.953 45.100 0.141 0.000 0.997 317 G HN 0.347 nan 8.290 nan 0.000 0.551 318 S N 0.602 115.992 115.700 -0.517 0.000 2.557 318 S HA 0.435 4.931 4.470 0.044 0.000 0.223 318 S C -0.401 173.955 174.600 -0.405 0.000 0.969 318 S CA 0.253 58.194 58.200 -0.432 0.000 0.927 318 S CB 0.079 63.043 63.200 -0.394 0.000 0.806 318 S HN 0.448 nan 8.310 nan 0.000 0.489 319 Y N 0.198 120.553 120.300 0.092 0.000 2.393 319 Y HA 0.513 5.090 4.550 0.044 0.000 0.341 319 Y C -0.345 175.278 175.900 -0.461 0.000 0.988 319 Y CA -1.756 56.243 58.100 -0.167 0.000 1.078 319 Y CB 0.582 38.994 38.460 -0.080 0.000 1.203 319 Y HN 0.091 nan 8.280 nan 0.000 0.453 320 F N 3.875 123.370 119.950 -0.758 0.000 2.541 320 F HA 0.461 5.014 4.527 0.044 0.000 0.378 320 F C -0.739 174.986 175.800 -0.125 0.000 1.068 320 F CA -0.466 57.195 58.000 -0.565 0.000 1.199 320 F CB 0.269 39.017 39.000 -0.419 0.000 1.091 320 F HN 0.207 nan 8.300 nan 0.000 0.555 321 V N 9.376 128.874 119.914 -0.692 0.000 2.443 321 V HA 0.231 4.378 4.120 0.044 0.000 0.293 321 V C -1.766 173.896 176.094 -0.719 0.000 1.021 321 V CA -1.299 60.695 62.300 -0.509 0.000 0.848 321 V CB 1.541 33.270 31.823 -0.156 0.000 0.998 321 V HN 0.633 nan 8.190 nan 0.000 0.424 322 P HA -0.028 nan 4.420 nan 0.000 0.215 322 P C 0.309 177.515 177.300 -0.157 0.000 1.153 322 P CA 1.199 64.091 63.100 -0.348 0.000 0.853 322 P CB 0.363 32.002 31.700 -0.101 0.000 0.788 323 A N -0.425 122.328 122.820 -0.112 0.000 2.330 323 A HA 0.689 5.036 4.320 0.044 0.000 0.313 323 A C -1.249 176.317 177.584 -0.029 0.000 1.124 323 A CA -0.514 51.498 52.037 -0.042 0.000 0.774 323 A CB 0.428 19.413 19.000 -0.025 0.000 1.198 323 A HN 0.133 nan 8.150 nan 0.000 0.465 324 L N 2.391 123.628 121.223 0.023 0.000 2.516 324 L HA 0.651 5.017 4.340 0.044 0.000 0.267 324 L C -0.693 176.240 176.870 0.104 0.000 0.957 324 L CA -0.365 54.508 54.840 0.054 0.000 0.860 324 L CB 1.633 43.725 42.059 0.054 0.000 1.265 324 L HN 0.843 nan 8.230 nan 0.000 0.403 325 R N 5.165 125.723 120.500 0.098 0.000 2.532 325 R HA 0.709 5.076 4.340 0.044 0.000 0.297 325 R C -1.647 174.736 176.300 0.139 0.000 0.984 325 R CA -0.516 55.659 56.100 0.124 0.000 0.884 325 R CB 1.481 31.829 30.300 0.080 0.000 1.182 325 R HN 0.603 nan 8.270 nan 0.000 0.442 326 I N 2.195 122.843 120.570 0.130 0.000 2.474 326 I HA 0.355 4.552 4.170 0.044 0.000 0.294 326 I C -0.346 175.732 176.117 -0.065 0.000 1.005 326 I CA -0.580 60.731 61.300 0.019 0.000 1.113 326 I CB 2.056 39.990 38.000 -0.110 0.000 1.289 326 I HN 0.529 nan 8.210 nan 0.000 0.436 327 E N 4.246 124.404 120.200 -0.071 0.000 2.235 327 E HA 0.337 4.714 4.350 0.044 0.000 0.252 327 E C -1.298 175.224 176.600 -0.130 0.000 0.886 327 E CA -0.325 56.006 56.400 -0.114 0.000 0.767 327 E CB 1.420 31.116 29.700 -0.006 0.000 1.205 327 E HN 0.568 nan 8.360 nan 0.000 0.421 328 S N 4.985 120.535 115.700 -0.250 0.000 2.520 328 S HA 0.261 4.757 4.470 0.044 0.000 0.324 328 S C -0.879 173.609 174.600 -0.187 0.000 1.069 328 S CA -0.682 57.449 58.200 -0.115 0.000 1.121 328 S CB 0.283 63.398 63.200 -0.140 0.000 0.971 328 S HN 0.530 nan 8.310 nan 0.000 0.463 329 H N 5.679 124.755 119.070 0.010 0.000 2.640 329 H HA 0.280 4.862 4.556 0.044 0.000 0.297 329 H C 0.142 175.449 175.328 -0.035 0.000 1.073 329 H CA -0.685 55.355 56.048 -0.013 0.000 1.305 329 H CB 0.552 30.308 29.762 -0.010 0.000 1.404 329 H HN 0.558 nan 8.280 nan 0.000 0.459 330 R N 4.182 124.723 120.500 0.068 0.000 2.408 330 R HA 0.260 4.626 4.340 0.044 0.000 0.308 330 R C -0.507 175.872 176.300 0.131 0.000 1.210 330 R CA -0.529 55.613 56.100 0.071 0.000 1.115 330 R CB -0.238 30.108 30.300 0.077 0.000 1.127 330 R HN 0.395 nan 8.270 nan 0.000 0.523 331 L N 2.287 123.548 121.223 0.062 0.000 2.350 331 L HA 0.450 4.817 4.340 0.044 0.000 0.275 331 L C 0.860 177.725 176.870 -0.009 0.000 1.099 331 L CA -0.616 54.220 54.840 -0.006 0.000 0.808 331 L CB 0.880 42.917 42.059 -0.037 0.000 1.149 331 L HN 0.372 nan 8.230 nan 0.000 0.442 332 R N 1.557 121.942 120.500 -0.193 0.000 2.297 332 R HA 0.500 4.866 4.340 0.044 0.000 0.308 332 R C -0.728 175.513 176.300 -0.098 0.000 1.029 332 R CA -0.254 55.708 56.100 -0.230 0.000 0.929 332 R CB 1.046 30.925 30.300 -0.701 0.000 1.046 332 R HN 0.839 nan 8.270 nan 0.000 0.461 333 T N 0.298 114.842 114.554 -0.017 0.000 2.916 333 T HA 0.275 4.651 4.350 0.044 0.000 0.292 333 T C -0.045 174.679 174.700 0.039 0.000 1.064 333 T CA -1.050 61.028 62.100 -0.035 0.000 1.011 333 T CB 1.425 70.223 68.868 -0.117 0.000 1.152 333 T HN 0.575 nan 8.240 nan 0.000 0.510 334 N N 1.460 120.173 118.700 0.021 0.000 3.111 334 N HA 0.287 5.054 4.740 0.044 0.000 0.302 334 N C 0.054 175.595 175.510 0.051 0.000 1.317 334 N CA -0.226 52.881 53.050 0.096 0.000 1.151 334 N CB 0.062 38.587 38.487 0.063 0.000 1.456 334 N HN 0.801 nan 8.380 nan 0.000 0.547 335 T N -3.696 110.854 114.554 -0.006 0.000 2.742 335 T HA 0.362 4.739 4.350 0.044 0.000 0.282 335 T C -0.129 174.449 174.700 -0.203 0.000 1.025 335 T CA -1.037 60.993 62.100 -0.118 0.000 1.020 335 T CB 0.822 69.402 68.868 -0.481 0.000 1.317 335 T HN -0.182 nan 8.240 nan 0.000 0.538 336 Q N 1.444 121.107 119.800 -0.228 0.000 2.310 336 Q HA 0.257 4.623 4.340 0.044 0.000 0.315 336 Q C 0.287 176.181 176.000 -0.177 0.000 1.081 336 Q CA 0.394 55.955 55.803 -0.403 0.000 0.981 336 Q CB 0.303 29.028 28.738 -0.022 0.000 1.184 336 Q HN 0.690 nan 8.270 nan 0.000 0.389 337 S N 3.869 119.501 115.700 -0.113 0.000 2.670 337 S HA 0.048 4.544 4.470 0.044 0.000 0.328 337 S C -0.202 174.314 174.600 -0.139 0.000 1.179 337 S CA -0.645 57.475 58.200 -0.132 0.000 1.194 337 S CB -0.479 62.558 63.200 -0.271 0.000 1.359 337 S HN 0.458 nan 8.310 nan 0.000 0.555 338 N N 3.067 121.636 118.700 -0.219 0.000 2.345 338 N HA 0.086 4.853 4.740 0.044 0.000 0.243 338 N C 0.370 175.699 175.510 -0.302 0.000 1.246 338 N CA 0.450 53.267 53.050 -0.387 0.000 0.863 338 N CB 0.958 38.926 38.487 -0.864 0.000 1.096 338 N HN 0.621 nan 8.380 nan 0.000 0.446 339 T N -0.855 113.639 114.554 -0.100 0.000 2.591 339 T HA 0.673 5.049 4.350 0.044 0.000 0.274 339 T C -1.089 173.729 174.700 0.197 0.000 0.945 339 T CA -0.520 61.645 62.100 0.109 0.000 1.087 339 T CB 0.471 69.408 68.868 0.116 0.000 1.416 339 T HN 0.473 nan 8.240 nan 0.000 0.514 340 A N 1.031 123.996 122.820 0.241 0.000 2.477 340 A HA 0.599 4.945 4.320 0.044 0.000 0.246 340 A C -0.780 177.072 177.584 0.447 0.000 1.078 340 A CA 0.034 52.272 52.037 0.336 0.000 0.770 340 A CB -0.675 18.655 19.000 0.549 0.000 1.011 340 A HN 0.706 nan 8.150 nan 0.000 0.494 341 F N 1.836 121.902 119.950 0.193 0.000 2.605 341 F HA 0.392 4.947 4.527 0.046 0.000 0.320 341 F C 0.468 176.179 175.800 -0.149 0.000 1.159 341 F CA -1.061 56.968 58.000 0.048 0.000 0.999 341 F CB 1.203 40.025 39.000 -0.297 0.000 1.258 341 F HN 0.788 nan 8.300 nan 0.000 0.464 342 R N 3.836 124.569 120.500 0.389 0.000 4.098 342 R HA -0.063 4.304 4.340 0.044 0.000 0.151 342 R C 0.961 176.998 176.300 -0.439 0.000 0.451 342 R CA 2.039 58.130 56.100 -0.014 0.000 0.858 342 R CB -0.612 29.692 30.300 0.007 0.000 1.051 342 R HN 1.175 nan 8.270 nan 0.000 0.263 343 G N 3.598 112.280 108.800 -0.198 0.000 2.307 343 G HA2 -0.317 3.670 3.960 0.044 0.000 0.210 343 G HA3 -0.317 3.670 3.960 0.044 0.000 0.210 343 G C 0.277 175.270 174.900 0.155 0.000 1.005 343 G CA -0.064 44.945 45.100 -0.152 0.000 0.634 343 G HN 0.800 nan 8.290 nan 0.000 0.496 344 F N 0.659 120.567 119.950 -0.070 0.000 2.969 344 F HA 0.042 4.595 4.527 0.044 0.000 0.273 344 F C 1.818 177.614 175.800 -0.006 0.000 0.986 344 F CA 2.567 60.575 58.000 0.012 0.000 0.926 344 F CB -0.996 38.032 39.000 0.047 0.000 0.887 344 F HN 2.033 nan 8.300 nan 0.000 0.816 345 G N -0.364 108.368 108.800 -0.113 0.000 2.284 345 G HA2 -0.310 3.676 3.960 0.044 0.000 0.247 345 G HA3 -0.310 3.676 3.960 0.044 0.000 0.247 345 G C 1.564 176.381 174.900 -0.139 0.000 1.012 345 G CA 0.815 45.834 45.100 -0.134 0.000 0.618 345 G HN 1.560 nan 8.290 nan 0.000 0.521 346 G N 1.714 110.462 108.800 -0.088 0.000 2.476 346 G HA2 0.012 3.999 3.960 0.044 0.000 0.218 346 G HA3 0.012 3.999 3.960 0.044 0.000 0.218 346 G C 0.140 174.999 174.900 -0.068 0.000 1.164 346 G CA 2.043 47.019 45.100 -0.207 0.000 0.768 346 G HN 0.559 nan 8.290 nan 0.000 0.560 347 P HA -0.065 nan 4.420 nan 0.000 0.217 347 P C 1.764 179.135 177.300 0.119 0.000 1.150 347 P CA 1.268 64.420 63.100 0.087 0.000 0.832 347 P CB 0.000 31.705 31.700 0.008 0.000 0.787 348 Q N -0.533 119.218 119.800 -0.081 0.000 2.020 348 Q HA -0.076 4.291 4.340 0.044 0.000 0.202 348 Q C 2.493 178.286 176.000 -0.344 0.000 0.982 348 Q CA 2.096 57.732 55.803 -0.277 0.000 0.838 348 Q CB -1.720 26.449 28.738 -0.949 0.000 0.899 348 Q HN 0.228 nan 8.270 nan 0.000 0.423 349 G N 0.185 108.792 108.800 -0.321 0.000 2.442 349 G HA2 -0.238 3.748 3.960 0.044 0.000 0.219 349 G HA3 -0.238 3.748 3.960 0.044 0.000 0.219 349 G C 1.445 176.327 174.900 -0.030 0.000 1.141 349 G CA 0.973 46.000 45.100 -0.122 0.000 0.763 349 G HN 0.445 nan 8.290 nan 0.000 0.554 350 A N 0.120 122.972 122.820 0.053 0.000 1.930 350 A HA 0.223 4.569 4.320 0.044 0.000 0.215 350 A C 2.286 179.936 177.584 0.111 0.000 1.176 350 A CA 1.345 53.454 52.037 0.119 0.000 0.632 350 A CB -0.336 18.773 19.000 0.181 0.000 0.819 350 A HN 0.388 nan 8.150 nan 0.000 0.445 351 L N 0.281 121.570 121.223 0.110 0.000 2.131 351 L HA -0.001 4.365 4.340 0.044 0.000 0.210 351 L C 2.318 179.310 176.870 0.203 0.000 1.092 351 L CA 1.915 56.841 54.840 0.145 0.000 0.759 351 L CB -0.839 41.297 42.059 0.128 0.000 0.903 351 L HN 0.310 nan 8.230 nan 0.000 0.435 352 G N -0.632 108.247 108.800 0.131 0.000 2.446 352 G HA2 -0.354 3.632 3.960 0.044 0.000 0.217 352 G HA3 -0.354 3.632 3.960 0.044 0.000 0.217 352 G C 1.537 176.493 174.900 0.093 0.000 1.168 352 G CA 1.089 46.294 45.100 0.173 0.000 0.771 352 G HN 0.402 nan 8.290 nan 0.000 0.551 353 M N 0.508 120.090 119.600 -0.030 0.000 2.200 353 M HA 0.116 4.622 4.480 0.044 0.000 0.265 353 M C 2.210 178.594 176.300 0.139 0.000 1.066 353 M CA 1.138 56.515 55.300 0.127 0.000 1.127 353 M CB -0.303 32.392 32.600 0.159 0.000 1.379 353 M HN 0.096 nan 8.290 nan 0.000 0.420 354 E N -0.159 120.121 120.200 0.134 0.000 2.072 354 E HA -0.151 4.225 4.350 0.044 0.000 0.191 354 E C 2.230 178.819 176.600 -0.018 0.000 0.985 354 E CA 0.780 57.249 56.400 0.116 0.000 0.801 354 E CB -0.488 29.305 29.700 0.155 0.000 0.750 354 E HN 0.393 nan 8.360 nan 0.000 0.452 355 R N 0.717 121.151 120.500 -0.110 0.000 2.096 355 R HA -0.004 4.363 4.340 0.044 0.000 0.235 355 R C 2.072 178.136 176.300 -0.393 0.000 1.127 355 R CA 1.208 57.131 56.100 -0.295 0.000 0.968 355 R CB -0.530 29.354 30.300 -0.693 0.000 0.861 355 R HN 0.150 nan 8.270 nan 0.000 0.440 356 A N 0.661 123.142 122.820 -0.565 0.000 1.855 356 A HA -0.134 4.212 4.320 0.044 0.000 0.215 356 A C 2.308 179.738 177.584 -0.257 0.000 1.191 356 A CA 1.315 52.914 52.037 -0.729 0.000 0.613 356 A CB -0.594 18.139 19.000 -0.444 0.000 0.829 356 A HN 0.342 nan 8.150 nan 0.000 0.442 357 I N -0.781 119.687 120.570 -0.170 0.000 2.493 357 I HA -0.196 4.001 4.170 0.044 0.000 0.254 357 I C 2.319 178.368 176.117 -0.113 0.000 1.160 357 I CA 1.799 62.993 61.300 -0.177 0.000 1.445 357 I CB -0.013 37.788 38.000 -0.331 0.000 1.086 357 I HN 0.467 nan 8.210 nan 0.000 0.433 358 E N 0.241 120.401 120.200 -0.067 0.000 2.047 358 E HA -0.316 4.060 4.350 0.044 0.000 0.191 358 E C 2.271 178.917 176.600 0.075 0.000 0.987 358 E CA 1.604 58.012 56.400 0.013 0.000 0.799 358 E CB -0.348 29.344 29.700 -0.014 0.000 0.752 358 E HN 0.490 nan 8.360 nan 0.000 0.449 359 H N -0.031 118.985 119.070 -0.090 0.000 2.352 359 H HA -0.136 4.446 4.556 0.044 0.000 0.299 359 H C 2.127 177.319 175.328 -0.227 0.000 1.097 359 H CA 1.734 57.580 56.048 -0.336 0.000 1.311 359 H CB -0.313 29.201 29.762 -0.413 0.000 1.377 359 H HN 0.286 nan 8.280 nan 0.000 0.504 360 L N 0.775 122.029 121.223 0.051 0.000 2.093 360 L HA -0.058 4.308 4.340 0.044 0.000 0.208 360 L C 2.716 179.556 176.870 -0.051 0.000 1.085 360 L CA 1.827 56.668 54.840 0.002 0.000 0.755 360 L CB -0.901 41.128 42.059 -0.050 0.000 0.904 360 L HN 0.287 nan 8.230 nan 0.000 0.435 361 A N -0.316 122.473 122.820 -0.051 0.000 1.858 361 A HA -0.197 4.149 4.320 0.044 0.000 0.216 361 A C 2.303 179.868 177.584 -0.032 0.000 1.190 361 A CA 1.656 53.661 52.037 -0.054 0.000 0.617 361 A CB -0.533 18.452 19.000 -0.025 0.000 0.827 361 A HN 0.433 nan 8.150 nan 0.000 0.443 362 R N -0.513 119.996 120.500 0.016 0.000 2.096 362 R HA -0.110 4.257 4.340 0.044 0.000 0.235 362 R C 2.334 178.620 176.300 -0.023 0.000 1.127 362 R CA 1.272 57.392 56.100 0.035 0.000 0.968 362 R CB -1.421 28.972 30.300 0.154 0.000 0.861 362 R HN 0.539 nan 8.270 nan 0.000 0.440 363 G N 2.276 111.039 108.800 -0.061 0.000 2.446 363 G HA2 -0.268 3.718 3.960 0.044 0.000 0.217 363 G HA3 -0.268 3.718 3.960 0.044 0.000 0.217 363 G C 1.513 176.397 174.900 -0.027 0.000 1.168 363 G CA 1.081 46.158 45.100 -0.039 0.000 0.771 363 G HN 0.458 nan 8.290 nan 0.000 0.551 364 M N -0.514 119.030 119.600 -0.094 0.000 2.494 364 M HA 0.478 4.985 4.480 0.044 0.000 0.232 364 M C 1.313 177.537 176.300 -0.127 0.000 1.137 364 M CA 0.617 55.803 55.300 -0.189 0.000 1.012 364 M CB 0.275 32.505 32.600 -0.617 0.000 1.567 364 M HN 0.328 nan 8.290 nan 0.000 0.486 365 G N 2.356 111.113 108.800 -0.071 0.000 2.273 365 G HA2 -0.282 3.705 3.960 0.044 0.000 0.280 365 G HA3 -0.282 3.705 3.960 0.044 0.000 0.280 365 G C -0.229 174.641 174.900 -0.050 0.000 1.047 365 G CA 0.452 45.526 45.100 -0.044 0.000 0.869 365 G HN 0.681 nan 8.290 nan 0.000 0.502 366 R N -0.377 120.085 120.500 -0.063 0.000 2.778 366 R HA 0.456 4.822 4.340 0.044 0.000 0.277 366 R C -0.579 175.703 176.300 -0.030 0.000 0.977 366 R CA -0.813 55.254 56.100 -0.055 0.000 0.950 366 R CB 0.937 31.186 30.300 -0.085 0.000 1.165 366 R HN 0.160 nan 8.270 nan 0.000 0.474 367 D N 3.561 123.952 120.400 -0.015 0.000 2.434 367 D HA 0.043 4.710 4.640 0.044 0.000 0.252 367 D C -1.656 174.656 176.300 0.020 0.000 1.185 367 D CA -1.383 52.624 54.000 0.011 0.000 0.886 367 D CB 1.394 42.204 40.800 0.017 0.000 1.148 367 D HN 0.232 nan 8.370 nan 0.000 0.483 368 P HA -0.144 nan 4.420 nan 0.000 0.218 368 P C 0.849 178.170 177.300 0.036 0.000 1.148 368 P CA 1.330 64.446 63.100 0.027 0.000 0.822 368 P CB 0.111 31.853 31.700 0.070 0.000 0.784 369 A N -0.230 122.656 122.820 0.111 0.000 2.015 369 A HA -0.167 4.180 4.320 0.044 0.000 0.219 369 A C 2.027 179.656 177.584 0.075 0.000 1.163 369 A CA 1.411 53.535 52.037 0.144 0.000 0.646 369 A CB -0.686 18.521 19.000 0.345 0.000 0.806 369 A HN 0.079 nan 8.150 nan 0.000 0.448 370 E N -0.800 119.426 120.200 0.043 0.000 2.276 370 E HA 0.021 4.397 4.350 0.044 0.000 0.193 370 E C 1.816 178.379 176.600 -0.062 0.000 0.983 370 E CA 0.302 56.705 56.400 0.006 0.000 0.861 370 E CB -0.428 29.281 29.700 0.016 0.000 0.817 370 E HN 0.490 nan 8.360 nan 0.000 0.485 371 L N 1.260 122.430 121.223 -0.088 0.000 2.056 371 L HA -0.112 4.254 4.340 0.044 0.000 0.207 371 L C 2.328 179.048 176.870 -0.250 0.000 1.078 371 L CA 1.569 56.318 54.840 -0.151 0.000 0.749 371 L CB -0.083 41.885 42.059 -0.152 0.000 0.901 371 L HN -0.050 nan 8.230 nan 0.000 0.433 372 R N -1.049 119.285 120.500 -0.277 0.000 2.075 372 R HA -0.095 4.271 4.340 0.044 0.000 0.232 372 R C 2.271 178.115 176.300 -0.760 0.000 1.126 372 R CA 1.195 57.033 56.100 -0.437 0.000 0.963 372 R CB -0.672 29.523 30.300 -0.176 0.000 0.858 372 R HN 0.452 nan 8.270 nan 0.000 0.435 373 A N 1.252 123.810 122.820 -0.435 0.000 1.940 373 A HA -0.181 4.166 4.320 0.044 0.000 0.219 373 A C 2.047 179.517 177.584 -0.191 0.000 1.176 373 A CA 1.226 53.112 52.037 -0.252 0.000 0.631 373 A CB -0.443 18.573 19.000 0.026 0.000 0.814 373 A HN 0.225 nan 8.150 nan 0.000 0.446 374 L N -0.324 120.797 121.223 -0.170 0.000 2.291 374 L HA 0.004 4.370 4.340 0.044 0.000 0.214 374 L C 1.104 177.926 176.870 -0.081 0.000 1.120 374 L CA 1.506 56.293 54.840 -0.087 0.000 0.799 374 L CB -0.312 41.702 42.059 -0.077 0.000 0.925 374 L HN 0.372 nan 8.230 nan 0.000 0.446 375 N N -1.843 116.757 118.700 -0.166 0.000 2.177 375 N HA 0.122 4.888 4.740 0.044 0.000 0.218 375 N C -0.048 175.511 175.510 0.081 0.000 1.182 375 N CA -0.089 52.931 53.050 -0.051 0.000 0.882 375 N CB 0.397 38.811 38.487 -0.122 0.000 1.052 375 N HN 0.188 nan 8.380 nan 0.000 0.519 376 F N 0.766 120.806 119.950 0.150 0.000 2.539 376 F HA 0.060 4.613 4.527 0.044 0.000 0.340 376 F C 0.977 176.757 175.800 -0.032 0.000 1.185 376 F CA -0.623 57.406 58.000 0.048 0.000 1.333 376 F CB 0.330 39.350 39.000 0.033 0.000 1.152 376 F HN -0.022 nan 8.300 nan 0.000 0.602 377 Y N 0.879 121.338 120.300 0.264 0.000 2.578 377 Y HA -0.044 4.533 4.550 0.044 0.000 0.339 377 Y C 0.644 176.560 175.900 0.028 0.000 1.231 377 Y CA -0.401 57.761 58.100 0.103 0.000 1.461 377 Y CB 0.038 38.520 38.460 0.036 0.000 1.323 377 Y HN 0.398 nan 8.280 nan 0.000 0.590 378 D N 3.678 124.157 120.400 0.131 0.000 2.399 378 D HA 0.120 4.786 4.640 0.044 0.000 0.241 378 D C -2.311 173.999 176.300 0.018 0.000 1.133 378 D CA -1.122 52.904 54.000 0.043 0.000 0.890 378 D CB 0.541 41.334 40.800 -0.011 0.000 1.201 378 D HN 0.239 nan 8.370 nan 0.000 0.432 379 P HA 0.195 nan 4.420 nan 0.000 0.275 379 P C -2.421 174.872 177.300 -0.013 0.000 1.228 379 P CA -1.148 61.934 63.100 -0.031 0.000 0.786 379 P CB -0.282 31.404 31.700 -0.023 0.000 0.927 380 P HA 0.006 nan 4.420 nan 0.000 0.264 380 P C -0.134 177.170 177.300 0.006 0.000 1.183 380 P CA 0.828 63.930 63.100 0.004 0.000 0.763 380 P CB -0.003 31.705 31.700 0.013 0.000 0.807 399 K N 0.679 121.077 120.400 -0.003 0.000 5.510 399 K HA -0.179 4.167 4.320 0.044 0.000 0.595 399 K C -1.151 175.436 176.600 -0.022 0.000 1.631 399 K CA 1.586 57.868 56.287 -0.008 0.000 1.368 399 K CB -2.209 30.288 32.500 -0.006 0.000 1.839 399 K HN 0.520 nan 8.250 nan 0.000 0.296 400 T N 2.499 117.043 114.554 -0.015 0.000 2.837 400 T HA 0.334 4.710 4.350 0.044 0.000 0.285 400 T C 0.469 175.153 174.700 -0.026 0.000 0.984 400 T CA -0.853 61.232 62.100 -0.025 0.000 1.049 400 T CB 1.240 70.103 68.868 -0.009 0.000 0.947 400 T HN 0.514 nan 8.240 nan 0.000 0.472 401 Q N 1.615 121.379 119.800 -0.060 0.000 2.428 401 Q HA 0.341 4.708 4.340 0.044 0.000 0.276 401 Q C 0.612 176.659 176.000 0.077 0.000 1.059 401 Q CA -0.028 55.752 55.803 -0.039 0.000 0.923 401 Q CB 0.288 28.933 28.738 -0.155 0.000 1.283 401 Q HN 0.872 nan 8.270 nan 0.000 0.447 402 T N -2.390 112.287 114.554 0.204 0.000 2.932 402 T HA 0.505 4.881 4.350 0.044 0.000 0.289 402 T C 0.214 175.007 174.700 0.155 0.000 1.039 402 T CA -0.903 61.252 62.100 0.090 0.000 1.024 402 T CB 1.497 70.393 68.868 0.047 0.000 1.090 402 T HN 0.658 nan 8.240 nan 0.000 0.496 403 T N -0.651 113.798 114.554 -0.174 0.000 2.698 403 T HA 0.136 4.512 4.350 0.044 0.000 0.295 403 T C 1.524 176.095 174.700 -0.214 0.000 1.007 403 T CA -0.154 61.786 62.100 -0.268 0.000 0.980 403 T CB -0.008 68.256 68.868 -1.007 0.000 1.036 403 T HN 0.909 nan 8.240 nan 0.000 0.526 404 H N -0.185 118.833 119.070 -0.088 0.000 2.521 404 H HA -0.060 4.523 4.556 0.044 0.000 0.286 404 H C 1.265 176.636 175.328 0.072 0.000 1.034 404 H CA 1.184 57.261 56.048 0.047 0.000 1.278 404 H CB -0.748 29.118 29.762 0.174 0.000 1.386 404 H HN 0.911 nan 8.280 nan 0.000 0.567 405 Y N -1.124 118.948 120.300 -0.380 0.000 2.493 405 Y HA 0.515 5.092 4.550 0.044 0.000 0.275 405 Y C 1.596 177.400 175.900 -0.160 0.000 1.183 405 Y CA -0.451 57.466 58.100 -0.305 0.000 1.258 405 Y CB 0.081 38.267 38.460 -0.456 0.000 1.108 405 Y HN 0.219 nan 8.280 nan 0.000 0.521 406 G N 0.614 109.277 108.800 -0.229 0.000 2.143 406 G HA2 -0.344 3.643 3.960 0.044 0.000 0.249 406 G HA3 -0.344 3.643 3.960 0.044 0.000 0.249 406 G C -0.015 174.820 174.900 -0.108 0.000 0.981 406 G CA 0.262 45.299 45.100 -0.105 0.000 0.665 406 G HN 0.618 nan 8.290 nan 0.000 0.528 407 Q N 0.630 120.290 119.800 -0.233 0.000 2.267 407 Q HA 0.469 4.836 4.340 0.044 0.000 0.255 407 Q C 0.192 176.135 176.000 -0.095 0.000 0.923 407 Q CA -0.479 55.263 55.803 -0.101 0.000 0.925 407 Q CB 0.505 29.250 28.738 0.012 0.000 1.195 407 Q HN 0.538 nan 8.270 nan 0.000 0.417 408 E N 2.042 122.233 120.200 -0.016 0.000 2.384 408 E HA 0.072 4.448 4.350 0.044 0.000 0.266 408 E C -0.892 175.710 176.600 0.004 0.000 1.012 408 E CA -0.125 56.268 56.400 -0.012 0.000 0.901 408 E CB 1.061 30.770 29.700 0.014 0.000 0.967 408 E HN 0.373 nan 8.360 nan 0.000 0.435 409 V N 3.273 123.124 119.914 -0.105 0.000 2.240 409 V HA 0.206 4.353 4.120 0.044 0.000 0.265 409 V C 0.562 176.636 176.094 -0.033 0.000 1.073 409 V CA -0.093 62.113 62.300 -0.156 0.000 0.857 409 V CB 0.618 32.031 31.823 -0.684 0.000 1.114 409 V HN 0.782 nan 8.190 nan 0.000 0.469 410 A N 2.950 125.807 122.820 0.063 0.000 2.423 410 A HA 0.232 4.578 4.320 0.044 0.000 0.246 410 A C 1.008 178.636 177.584 0.074 0.000 1.278 410 A CA 0.337 52.407 52.037 0.054 0.000 0.903 410 A CB -0.068 18.966 19.000 0.055 0.000 0.997 410 A HN 0.760 nan 8.150 nan 0.000 0.510 411 D N -2.061 118.411 120.400 0.120 0.000 2.620 411 D HA 0.074 4.741 4.640 0.044 0.000 0.260 411 D C -0.296 176.003 176.300 -0.001 0.000 1.367 411 D CA -0.334 53.746 54.000 0.135 0.000 0.805 411 D CB -1.289 39.667 40.800 0.261 0.000 1.096 411 D HN 0.034 nan 8.370 nan 0.000 0.488 412 C N 2.044 121.253 119.300 -0.151 0.000 2.520 412 C HA 0.269 4.755 4.460 0.044 0.000 0.369 412 C C 1.948 176.584 174.990 -0.590 0.000 1.244 412 C CA -0.333 58.351 59.018 -0.557 0.000 1.677 412 C CB -1.010 26.587 27.740 -0.238 0.000 2.324 412 C HN 0.365 nan 8.230 nan 0.000 0.557 413 V N 4.994 124.360 119.914 -0.914 0.000 3.506 413 V HA 0.041 4.187 4.120 0.044 0.000 0.263 413 V C 1.891 177.528 176.094 -0.761 0.000 1.203 413 V CA 0.795 62.711 62.300 -0.641 0.000 1.133 413 V CB -0.950 30.524 31.823 -0.582 0.000 0.802 413 V HN 0.858 nan 8.190 nan 0.000 0.459 414 L N 1.794 122.482 121.223 -0.891 0.000 2.034 414 L HA -0.180 4.187 4.340 0.044 0.000 0.217 414 L C 2.831 179.256 176.870 -0.740 0.000 1.077 414 L CA 2.285 56.588 54.840 -0.895 0.000 0.769 414 L CB -1.236 40.122 42.059 -1.169 0.000 0.890 414 L HN 0.508 nan 8.230 nan 0.000 0.435 415 G N -0.858 107.650 108.800 -0.486 0.000 2.586 415 G HA2 -0.362 3.624 3.960 0.044 0.000 0.218 415 G HA3 -0.362 3.624 3.960 0.044 0.000 0.218 415 G C 1.449 176.272 174.900 -0.128 0.000 1.216 415 G CA 1.105 46.118 45.100 -0.146 0.000 0.786 415 G HN 0.465 nan 8.290 nan 0.000 0.583 416 E N -0.160 119.950 120.200 -0.151 0.000 2.072 416 E HA -0.053 4.323 4.350 0.044 0.000 0.191 416 E C 2.535 179.048 176.600 -0.145 0.000 0.985 416 E CA 0.693 57.065 56.400 -0.046 0.000 0.801 416 E CB -0.170 29.596 29.700 0.110 0.000 0.750 416 E HN 0.421 nan 8.360 nan 0.000 0.452 417 L N 0.465 121.341 121.223 -0.578 0.000 2.012 417 L HA -0.211 4.156 4.340 0.044 0.000 0.210 417 L C 2.373 179.070 176.870 -0.289 0.000 1.073 417 L CA 1.224 55.601 54.840 -0.771 0.000 0.748 417 L CB -0.202 41.146 42.059 -1.185 0.000 0.891 417 L HN 0.034 nan 8.230 nan 0.000 0.431 418 V N -0.348 119.415 119.914 -0.252 0.000 2.295 418 V HA -0.310 3.836 4.120 0.044 0.000 0.246 418 V C 2.534 178.618 176.094 -0.016 0.000 1.049 418 V CA 2.372 64.612 62.300 -0.099 0.000 1.024 418 V CB -0.987 30.834 31.823 -0.002 0.000 0.648 418 V HN 0.573 nan 8.190 nan 0.000 0.447 419 T N -0.294 114.269 114.554 0.015 0.000 2.759 419 T HA -0.278 4.098 4.350 0.044 0.000 0.269 419 T C 1.997 176.741 174.700 0.072 0.000 1.042 419 T CA 1.947 64.084 62.100 0.061 0.000 1.140 419 T CB -0.290 68.620 68.868 0.069 0.000 0.864 419 T HN 0.430 nan 8.240 nan 0.000 0.455 420 R N 0.369 120.920 120.500 0.086 0.000 2.066 420 R HA -0.009 4.357 4.340 0.044 0.000 0.232 420 R C 2.417 178.771 176.300 0.090 0.000 1.131 420 R CA 1.097 57.270 56.100 0.123 0.000 0.955 420 R CB -0.469 29.974 30.300 0.238 0.000 0.851 420 R HN 0.316 nan 8.270 nan 0.000 0.432 421 L N 1.176 122.433 121.223 0.057 0.000 2.056 421 L HA -0.157 4.210 4.340 0.044 0.000 0.207 421 L C 2.168 179.047 176.870 0.014 0.000 1.078 421 L CA 1.755 56.611 54.840 0.028 0.000 0.749 421 L CB -0.385 41.665 42.059 -0.015 0.000 0.901 421 L HN 0.264 nan 8.230 nan 0.000 0.433 422 Q N -0.586 119.217 119.800 0.005 0.000 2.061 422 Q HA -0.283 4.083 4.340 0.044 0.000 0.204 422 Q C 2.276 178.359 176.000 0.137 0.000 0.984 422 Q CA 2.067 57.906 55.803 0.059 0.000 0.846 422 Q CB -0.118 28.687 28.738 0.111 0.000 0.902 422 Q HN 0.348 nan 8.270 nan 0.000 0.421 423 K N 0.297 120.761 120.400 0.106 0.000 2.026 423 K HA -0.132 4.214 4.320 0.044 0.000 0.208 423 K C 2.268 178.917 176.600 0.082 0.000 1.048 423 K CA 1.750 58.094 56.287 0.095 0.000 0.929 423 K CB -0.274 32.274 32.500 0.080 0.000 0.713 423 K HN 0.249 nan 8.250 nan 0.000 0.439 424 S N -0.208 115.536 115.700 0.072 0.000 2.406 424 S HA -0.015 4.481 4.470 0.044 0.000 0.228 424 S C 2.016 176.652 174.600 0.060 0.000 1.020 424 S CA 0.815 59.051 58.200 0.060 0.000 0.965 424 S CB -0.135 63.099 63.200 0.057 0.000 0.798 424 S HN 0.228 nan 8.310 nan 0.000 0.488 425 A N 1.142 124.003 122.820 0.068 0.000 2.238 425 A HA 0.332 4.679 4.320 0.044 0.000 0.208 425 A C 0.872 178.521 177.584 0.109 0.000 1.177 425 A CA 0.253 52.334 52.037 0.073 0.000 0.804 425 A CB -1.052 17.980 19.000 0.053 0.000 0.823 425 A HN 0.636 nan 8.150 nan 0.000 0.482 426 N N -2.815 115.953 118.700 0.114 0.000 2.740 426 N HA -0.233 4.534 4.740 0.044 0.000 0.248 426 N C 0.209 175.809 175.510 0.150 0.000 1.062 426 N CA 0.689 53.803 53.050 0.106 0.000 0.704 426 N CB -1.552 36.973 38.487 0.063 0.000 0.968 426 N HN 0.465 nan 8.380 nan 0.000 0.547 427 F N 0.138 120.098 119.950 0.016 0.000 2.102 427 F HA -0.140 4.414 4.527 0.044 0.000 0.298 427 F C 2.283 178.090 175.800 0.012 0.000 1.105 427 F CA 2.158 60.166 58.000 0.015 0.000 1.239 427 F CB -0.755 38.261 39.000 0.026 0.000 0.991 427 F HN 0.234 nan 8.300 nan 0.000 0.474 428 T N -0.507 114.006 114.554 -0.069 0.000 2.674 428 T HA -0.186 4.190 4.350 0.044 0.000 0.265 428 T C 1.884 176.498 174.700 -0.145 0.000 1.039 428 T CA 2.322 64.317 62.100 -0.175 0.000 1.150 428 T CB -0.905 67.934 68.868 -0.048 0.000 0.864 428 T HN 0.301 nan 8.240 nan 0.000 0.427 429 T N 2.138 116.655 114.554 -0.061 0.000 2.720 429 T HA -0.085 4.291 4.350 0.044 0.000 0.268 429 T C 2.098 176.763 174.700 -0.058 0.000 1.037 429 T CA 0.906 62.980 62.100 -0.044 0.000 1.144 429 T CB -0.208 68.653 68.868 -0.011 0.000 0.864 429 T HN 0.288 nan 8.240 nan 0.000 0.444 430 R N 0.562 121.027 120.500 -0.057 0.000 2.081 430 R HA -0.007 4.360 4.340 0.044 0.000 0.235 430 R C 2.741 178.976 176.300 -0.108 0.000 1.131 430 R CA 1.275 57.340 56.100 -0.058 0.000 0.960 430 R CB -0.251 30.046 30.300 -0.006 0.000 0.856 430 R HN 0.306 nan 8.270 nan 0.000 0.436 431 R N 0.315 120.687 120.500 -0.215 0.000 2.092 431 R HA -0.081 4.285 4.340 0.044 0.000 0.231 431 R C 2.084 178.296 176.300 -0.147 0.000 1.119 431 R CA 1.440 57.387 56.100 -0.254 0.000 0.970 431 R CB -0.128 29.868 30.300 -0.507 0.000 0.864 431 R HN 0.200 nan 8.270 nan 0.000 0.440 432 A N 0.570 123.317 122.820 -0.122 0.000 1.897 432 A HA -0.121 4.226 4.320 0.044 0.000 0.215 432 A C 1.865 179.432 177.584 -0.028 0.000 1.181 432 A CA 1.333 53.330 52.037 -0.067 0.000 0.620 432 A CB -0.343 18.622 19.000 -0.058 0.000 0.821 432 A HN 0.447 nan 8.150 nan 0.000 0.443 433 E N -0.226 119.959 120.200 -0.025 0.000 2.077 433 E HA -0.172 4.205 4.350 0.044 0.000 0.193 433 E C 1.832 178.460 176.600 0.047 0.000 0.989 433 E CA 1.250 57.657 56.400 0.011 0.000 0.800 433 E CB -0.301 29.396 29.700 -0.005 0.000 0.746 433 E HN 0.685 nan 8.360 nan 0.000 0.452 434 I N 1.088 121.660 120.570 0.004 0.000 2.163 434 I HA -0.321 3.875 4.170 0.044 0.000 0.243 434 I C 2.556 178.737 176.117 0.107 0.000 1.085 434 I CA 1.067 62.386 61.300 0.031 0.000 1.347 434 I CB -0.347 37.630 38.000 -0.040 0.000 1.044 434 I HN 0.105 nan 8.210 nan 0.000 0.408 435 A N 0.743 123.589 122.820 0.044 0.000 1.903 435 A HA -0.301 4.046 4.320 0.044 0.000 0.219 435 A C 2.531 180.152 177.584 0.063 0.000 1.191 435 A CA 2.391 54.450 52.037 0.038 0.000 0.638 435 A CB -1.089 17.910 19.000 -0.001 0.000 0.823 435 A HN 0.476 nan 8.150 nan 0.000 0.451 436 A N -1.928 120.934 122.820 0.069 0.000 1.883 436 A HA -0.196 4.151 4.320 0.044 0.000 0.217 436 A C 2.034 179.679 177.584 0.101 0.000 1.186 436 A CA 1.638 53.714 52.037 0.066 0.000 0.624 436 A CB -1.006 18.030 19.000 0.061 0.000 0.822 436 A HN 0.860 nan 8.150 nan 0.000 0.444 437 W N 1.241 122.522 121.300 -0.031 0.000 2.363 437 W HA -0.184 4.503 4.660 0.044 0.000 0.296 437 W C 1.833 178.333 176.519 -0.031 0.000 1.212 437 W CA 1.875 59.203 57.345 -0.028 0.000 1.260 437 W CB -0.119 29.325 29.460 -0.028 0.000 1.131 437 W HN 0.359 nan 8.180 nan 0.000 0.530 438 N N -0.025 118.834 118.700 0.265 0.000 2.166 438 N HA -0.179 4.587 4.740 0.044 0.000 0.186 438 N C 1.903 177.384 175.510 -0.049 0.000 1.019 438 N CA 2.098 55.225 53.050 0.128 0.000 0.856 438 N CB -1.005 37.564 38.487 0.138 0.000 0.993 438 N HN 0.267 nan 8.380 nan 0.000 0.426 439 S N -1.075 114.598 115.700 -0.046 0.000 2.447 439 S HA -0.024 4.472 4.470 0.044 0.000 0.233 439 S C 1.848 176.371 174.600 -0.129 0.000 1.006 439 S CA 1.077 59.233 58.200 -0.072 0.000 0.957 439 S CB -0.527 62.646 63.200 -0.044 0.000 0.773 439 S HN 0.197 nan 8.310 nan 0.000 0.507 440 T N 2.102 116.532 114.554 -0.206 0.000 2.851 440 T HA 0.121 4.497 4.350 0.044 0.000 0.262 440 T C 0.657 175.161 174.700 -0.328 0.000 1.043 440 T CA 0.741 62.680 62.100 -0.268 0.000 1.140 440 T CB -0.407 68.256 68.868 -0.341 0.000 0.872 440 T HN 0.466 nan 8.240 nan 0.000 0.446 441 N N 0.703 119.127 118.700 -0.460 0.000 2.463 441 N HA 0.442 5.208 4.740 0.044 0.000 0.270 441 N C 1.029 176.409 175.510 -0.217 0.000 1.205 441 N CA -0.472 52.331 53.050 -0.412 0.000 0.974 441 N CB 0.839 38.932 38.487 -0.656 0.000 1.197 441 N HN 0.315 nan 8.380 nan 0.000 0.504 442 R N -1.696 118.712 120.500 -0.154 0.000 2.591 442 R HA 0.217 4.584 4.340 0.044 0.000 0.288 442 R C -0.051 176.211 176.300 -0.064 0.000 0.947 442 R CA -0.002 56.043 56.100 -0.092 0.000 1.085 442 R CB -0.015 30.238 30.300 -0.079 0.000 1.618 442 R HN 0.396 nan 8.270 nan 0.000 0.524 443 T N 0.939 115.454 114.554 -0.065 0.000 3.034 443 T HA 0.356 4.732 4.350 0.044 0.000 0.248 443 T C 0.572 175.270 174.700 -0.003 0.000 1.040 443 T CA 0.279 62.358 62.100 -0.033 0.000 1.107 443 T CB 0.244 69.094 68.868 -0.031 0.000 0.932 443 T HN -0.013 nan 8.240 nan 0.000 0.474 444 L N 1.007 122.233 121.223 0.006 0.000 2.334 444 L HA 0.798 5.164 4.340 0.044 0.000 0.272 444 L C -0.560 176.429 176.870 0.198 0.000 1.020 444 L CA -1.150 53.767 54.840 0.129 0.000 0.812 444 L CB 1.561 43.787 42.059 0.278 0.000 1.264 444 L HN 0.078 nan 8.230 nan 0.000 0.439 445 A N 2.205 125.188 122.820 0.272 0.000 2.488 445 A HA 0.658 5.004 4.320 0.044 0.000 0.295 445 A C -1.061 176.621 177.584 0.163 0.000 1.045 445 A CA -0.694 51.492 52.037 0.248 0.000 0.703 445 A CB 1.459 20.506 19.000 0.078 0.000 1.271 445 A HN 0.708 nan 8.150 nan 0.000 0.400 446 R N 0.690 121.274 120.500 0.140 0.000 2.540 446 R HA 0.698 5.065 4.340 0.044 0.000 0.287 446 R C 0.024 176.293 176.300 -0.051 0.000 0.980 446 R CA -0.371 55.683 56.100 -0.077 0.000 0.966 446 R CB 2.256 32.374 30.300 -0.303 0.000 1.106 446 R HN 0.897 nan 8.270 nan 0.000 0.480 447 G N 1.845 110.599 108.800 -0.077 0.000 2.682 447 G HA2 0.588 4.575 3.960 0.044 0.000 0.300 447 G HA3 0.588 4.575 3.960 0.044 0.000 0.300 447 G C -1.516 173.364 174.900 -0.033 0.000 1.391 447 G CA -0.477 44.589 45.100 -0.058 0.000 0.990 447 G HN 0.499 nan 8.290 nan 0.000 0.501 448 I N 0.885 121.463 120.570 0.012 0.000 2.689 448 I HA 0.834 5.030 4.170 0.044 0.000 0.299 448 I C -0.369 175.845 176.117 0.162 0.000 1.059 448 I CA -0.881 60.473 61.300 0.090 0.000 1.055 448 I CB 2.140 40.216 38.000 0.126 0.000 1.243 448 I HN 0.796 nan 8.210 nan 0.000 0.425 449 A N 6.223 129.150 122.820 0.179 0.000 2.604 449 A HA 0.687 5.033 4.320 0.044 0.000 0.295 449 A C -2.201 175.427 177.584 0.073 0.000 1.067 449 A CA -0.503 51.637 52.037 0.173 0.000 0.683 449 A CB 1.695 20.768 19.000 0.122 0.000 1.281 449 A HN 0.652 nan 8.150 nan 0.000 0.407 450 L N 1.526 122.757 121.223 0.013 0.000 2.313 450 L HA 0.838 5.204 4.340 0.044 0.000 0.283 450 L C -0.163 176.732 176.870 0.041 0.000 1.013 450 L CA 0.083 54.865 54.840 -0.098 0.000 0.816 450 L CB 1.742 43.592 42.059 -0.348 0.000 1.236 450 L HN 0.852 nan 8.230 nan 0.000 0.419 451 S N 6.707 122.448 115.700 0.069 0.000 2.502 451 S HA 0.870 5.367 4.470 0.044 0.000 0.304 451 S C -2.882 171.802 174.600 0.140 0.000 1.097 451 S CA -1.211 57.070 58.200 0.136 0.000 1.045 451 S CB 1.674 64.960 63.200 0.143 0.000 1.019 451 S HN 0.605 nan 8.310 nan 0.000 0.481 452 P HA 0.568 nan 4.420 nan 0.000 0.287 452 P C -1.348 176.033 177.300 0.135 0.000 1.279 452 P CA -0.778 62.411 63.100 0.149 0.000 0.867 452 P CB 1.383 33.224 31.700 0.235 0.000 1.127 453 V N 1.421 121.404 119.914 0.115 0.000 2.588 453 V HA 0.474 4.620 4.120 0.044 0.000 0.304 453 V C -0.010 176.147 176.094 0.105 0.000 1.042 453 V CA -0.509 61.876 62.300 0.142 0.000 0.877 453 V CB 1.724 33.657 31.823 0.184 0.000 0.996 453 V HN 0.553 nan 8.190 nan 0.000 0.425 454 K N 4.462 124.919 120.400 0.096 0.000 2.535 454 K HA 0.580 4.926 4.320 0.044 0.000 0.253 454 K C -2.124 174.558 176.600 0.136 0.000 0.953 454 K CA -0.461 55.787 56.287 -0.066 0.000 0.863 454 K CB 1.365 33.827 32.500 -0.064 0.000 1.111 454 K HN 0.538 nan 8.250 nan 0.000 0.431 455 F N 2.913 122.820 119.950 -0.071 0.000 2.499 455 F HA 0.457 5.010 4.527 0.044 0.000 0.333 455 F C 0.177 175.922 175.800 -0.093 0.000 1.138 455 F CA -0.431 57.608 58.000 0.064 0.000 0.945 455 F CB 1.642 40.631 39.000 -0.019 0.000 1.181 455 F HN 0.658 nan 8.300 nan 0.000 0.435 456 G N 6.290 114.676 108.800 -0.689 0.000 2.406 456 G HA2 0.413 4.399 3.960 0.044 0.000 0.251 456 G HA3 0.413 4.399 3.960 0.044 0.000 0.251 456 G C -0.784 173.285 174.900 -1.385 0.000 1.271 456 G CA -0.387 43.766 45.100 -1.579 0.000 0.859 456 G HN 0.477 nan 8.290 nan 0.000 0.540 457 I N 1.092 121.062 120.570 -1.001 0.000 2.378 457 I HA 0.577 4.774 4.170 0.044 0.000 0.291 457 I C 0.233 176.117 176.117 -0.388 0.000 0.992 457 I CA -0.257 60.637 61.300 -0.677 0.000 1.154 457 I CB 0.579 37.969 38.000 -1.016 0.000 1.315 457 I HN 0.539 nan 8.210 nan 0.000 0.448 458 S N 4.475 120.027 115.700 -0.247 0.000 2.908 458 S HA 0.092 4.589 4.470 0.044 0.000 0.242 458 S C -0.753 173.771 174.600 -0.126 0.000 0.603 458 S CA -0.934 57.189 58.200 -0.128 0.000 1.070 458 S CB -0.115 63.059 63.200 -0.043 0.000 1.313 458 S HN 0.313 nan 8.310 nan 0.000 0.581 459 F N 2.503 122.398 119.950 -0.092 0.000 2.578 459 F HA 0.118 4.671 4.527 0.043 0.000 0.376 459 F C 2.337 178.081 175.800 -0.092 0.000 1.085 459 F CA 0.975 58.905 58.000 -0.117 0.000 1.260 459 F CB 0.676 39.587 39.000 -0.148 0.000 1.095 459 F HN 0.823 nan 8.300 nan 0.000 0.573 460 T N 0.716 115.339 114.554 0.115 0.000 2.867 460 T HA -0.089 4.288 4.350 0.044 0.000 0.268 460 T C 0.927 175.809 174.700 0.303 0.000 1.057 460 T CA 0.412 62.569 62.100 0.095 0.000 1.136 460 T CB -0.036 68.932 68.868 0.167 0.000 0.874 460 T HN 0.240 nan 8.240 nan 0.000 0.466 461 L N 3.404 124.749 121.223 0.202 0.000 2.454 461 L HA 0.261 4.627 4.340 0.044 0.000 0.284 461 L C 1.281 178.121 176.870 -0.051 0.000 1.139 461 L CA 0.500 55.384 54.840 0.072 0.000 0.911 461 L CB -0.297 41.735 42.059 -0.046 0.000 1.262 461 L HN 0.360 nan 8.230 nan 0.000 0.453 462 T N 2.343 116.931 114.554 0.056 0.000 2.759 462 T HA -0.181 4.195 4.350 0.044 0.000 0.269 462 T C 1.679 176.368 174.700 -0.018 0.000 1.042 462 T CA 1.727 63.858 62.100 0.053 0.000 1.140 462 T CB -0.247 68.690 68.868 0.114 0.000 0.864 462 T HN 0.683 nan 8.240 nan 0.000 0.455 463 H N 1.081 120.152 119.070 0.002 0.000 2.561 463 H HA 0.136 4.718 4.556 0.043 0.000 0.278 463 H C 1.754 177.042 175.328 -0.067 0.000 1.014 463 H CA 0.515 56.551 56.048 -0.020 0.000 1.211 463 H CB -0.604 29.148 29.762 -0.016 0.000 1.365 463 H HN 0.347 nan 8.280 nan 0.000 0.594 464 L N 0.774 121.681 121.223 -0.527 0.000 2.554 464 L HA 0.001 4.368 4.340 0.044 0.000 0.226 464 L C 0.794 177.435 176.870 -0.382 0.000 1.137 464 L CA 0.110 54.596 54.840 -0.589 0.000 0.863 464 L CB -0.225 41.203 42.059 -1.052 0.000 0.985 464 L HN 0.200 nan 8.230 nan 0.000 0.451 465 N N 2.417 121.049 118.700 -0.113 0.000 3.111 465 N HA 0.025 4.791 4.740 0.044 0.000 0.302 465 N C -0.297 175.182 175.510 -0.051 0.000 1.317 465 N CA 0.153 53.227 53.050 0.040 0.000 1.151 465 N CB 0.193 38.725 38.487 0.075 0.000 1.456 465 N HN 0.569 nan 8.380 nan 0.000 0.547 466 Q N -0.691 119.057 119.800 -0.088 0.000 2.413 466 Q HA 0.850 5.217 4.340 0.044 0.000 0.276 466 Q C -1.483 174.417 176.000 -0.167 0.000 1.099 466 Q CA -1.206 54.476 55.803 -0.202 0.000 0.814 466 Q CB 2.439 31.128 28.738 -0.082 0.000 1.379 466 Q HN 0.040 nan 8.270 nan 0.000 0.436 467 A N 0.480 123.107 122.820 -0.321 0.000 2.606 467 A HA 0.946 5.293 4.320 0.044 0.000 0.293 467 A C -1.025 176.474 177.584 -0.142 0.000 1.082 467 A CA -0.223 51.740 52.037 -0.124 0.000 0.685 467 A CB 2.023 21.015 19.000 -0.013 0.000 1.284 467 A HN 0.954 nan 8.150 nan 0.000 0.408 468 G N -0.894 107.940 108.800 0.057 0.000 2.696 468 G HA2 0.857 4.844 3.960 0.044 0.000 0.295 468 G HA3 0.857 4.844 3.960 0.044 0.000 0.295 468 G C -0.783 174.204 174.900 0.144 0.000 1.398 468 G CA 0.208 45.402 45.100 0.156 0.000 0.920 468 G HN 1.922 nan 8.290 nan 0.000 0.492 469 A N 0.022 122.925 122.820 0.139 0.000 2.515 469 A HA 0.879 5.226 4.320 0.044 0.000 0.296 469 A C -1.769 175.869 177.584 0.090 0.000 1.094 469 A CA -0.718 51.391 52.037 0.121 0.000 0.718 469 A CB 2.162 21.229 19.000 0.111 0.000 1.307 469 A HN 1.749 nan 8.150 nan 0.000 0.408 470 L N 1.345 122.607 121.223 0.065 0.000 2.441 470 L HA 0.705 5.071 4.340 0.044 0.000 0.270 470 L C -1.591 175.291 176.870 0.020 0.000 0.973 470 L CA -0.257 54.605 54.840 0.038 0.000 0.842 470 L CB 1.824 43.900 42.059 0.029 0.000 1.239 470 L HN 0.474 nan 8.230 nan 0.000 0.406 471 V N 4.547 124.466 119.914 0.007 0.000 2.555 471 V HA 0.645 4.791 4.120 0.044 0.000 0.302 471 V C -0.618 175.446 176.094 -0.051 0.000 1.038 471 V CA -0.598 61.698 62.300 -0.008 0.000 0.887 471 V CB 1.741 33.566 31.823 0.003 0.000 0.991 471 V HN 0.728 nan 8.190 nan 0.000 0.434 472 Q N 4.406 124.151 119.800 -0.091 0.000 2.337 472 Q HA 0.654 5.020 4.340 0.044 0.000 0.266 472 Q C -1.112 174.728 176.000 -0.267 0.000 1.023 472 Q CA -0.462 55.196 55.803 -0.242 0.000 0.829 472 Q CB 3.082 31.590 28.738 -0.383 0.000 1.306 472 Q HN 0.667 nan 8.270 nan 0.000 0.449 473 I N 2.508 122.899 120.570 -0.299 0.000 2.410 473 I HA 0.336 4.532 4.170 0.044 0.000 0.286 473 I C -0.757 175.190 176.117 -0.284 0.000 1.009 473 I CA -0.863 60.336 61.300 -0.167 0.000 1.111 473 I CB 0.837 38.844 38.000 0.012 0.000 1.262 473 I HN 0.461 nan 8.210 nan 0.000 0.443 474 Y N 2.689 122.999 120.300 0.017 0.000 2.374 474 Y HA 0.147 4.723 4.550 0.043 0.000 0.322 474 Y C 1.983 177.849 175.900 -0.055 0.000 1.275 474 Y CA -0.504 57.577 58.100 -0.032 0.000 1.307 474 Y CB 0.968 39.408 38.460 -0.033 0.000 1.282 474 Y HN 0.631 nan 8.280 nan 0.000 0.509 475 T N -3.366 111.209 114.554 0.036 0.000 3.051 475 T HA -0.168 4.209 4.350 0.044 0.000 0.269 475 T C 0.891 175.575 174.700 -0.027 0.000 1.127 475 T CA 1.257 63.303 62.100 -0.090 0.000 1.107 475 T CB -0.298 68.391 68.868 -0.298 0.000 0.898 475 T HN 0.771 nan 8.240 nan 0.000 0.517 476 D N 0.795 121.215 120.400 0.032 0.000 2.349 476 D HA 0.190 4.857 4.640 0.044 0.000 0.215 476 D C 1.698 178.054 176.300 0.093 0.000 1.016 476 D CA 0.733 54.759 54.000 0.043 0.000 0.870 476 D CB -0.532 40.286 40.800 0.030 0.000 0.917 476 D HN 0.574 nan 8.370 nan 0.000 0.524 477 G N 0.389 109.269 108.800 0.134 0.000 2.201 477 G HA2 -0.243 3.744 3.960 0.044 0.000 0.212 477 G HA3 -0.243 3.744 3.960 0.044 0.000 0.212 477 G C 0.327 175.394 174.900 0.279 0.000 0.994 477 G CA 0.229 45.472 45.100 0.238 0.000 0.644 477 G HN 0.749 nan 8.290 nan 0.000 0.508 478 S N -0.175 115.653 115.700 0.212 0.000 2.564 478 S HA 0.672 5.168 4.470 0.044 0.000 0.278 478 S C 0.087 174.837 174.600 0.251 0.000 1.333 478 S CA -0.161 58.156 58.200 0.196 0.000 1.048 478 S CB 2.452 65.736 63.200 0.141 0.000 0.900 478 S HN 1.030 nan 8.310 nan 0.000 0.505 479 V N 1.948 121.966 119.914 0.174 0.000 2.459 479 V HA 0.735 4.882 4.120 0.044 0.000 0.295 479 V C 0.210 176.383 176.094 0.131 0.000 1.029 479 V CA -0.668 61.710 62.300 0.131 0.000 0.874 479 V CB 1.413 33.278 31.823 0.069 0.000 0.985 479 V HN 1.170 nan 8.190 nan 0.000 0.438 480 A N 5.275 128.172 122.820 0.128 0.000 2.267 480 A HA 0.769 5.115 4.320 0.044 0.000 0.315 480 A C -0.937 176.674 177.584 0.045 0.000 1.297 480 A CA -0.387 51.724 52.037 0.124 0.000 0.865 480 A CB 0.689 19.844 19.000 0.259 0.000 1.165 480 A HN 0.800 nan 8.150 nan 0.000 0.513 481 L N 2.795 124.031 121.223 0.023 0.000 2.325 481 L HA 0.583 4.950 4.340 0.044 0.000 0.279 481 L C -0.299 176.565 176.870 -0.009 0.000 1.054 481 L CA -0.095 54.755 54.840 0.017 0.000 0.804 481 L CB 1.158 43.233 42.059 0.026 0.000 1.200 481 L HN 0.713 nan 8.230 nan 0.000 0.436 482 N N 2.407 121.114 118.700 0.011 0.000 2.519 482 N HA 0.294 5.060 4.740 0.044 0.000 0.291 482 N C -1.505 174.021 175.510 0.027 0.000 1.107 482 N CA -0.390 52.634 53.050 -0.044 0.000 0.904 482 N CB 0.990 39.453 38.487 -0.041 0.000 1.500 482 N HN 0.971 nan 8.380 nan 0.000 0.510 483 H N 0.114 119.179 119.070 -0.008 0.000 2.995 483 H HA 0.632 5.217 4.556 0.049 0.000 0.305 483 H C 1.022 176.377 175.328 0.045 0.000 1.510 483 H CA -0.607 55.457 56.048 0.026 0.000 1.376 483 H CB 0.640 30.422 29.762 0.034 0.000 1.918 483 H HN 0.325 nan 8.280 nan 0.000 0.709 484 G N -1.054 107.858 108.800 0.186 0.000 2.662 484 G HA2 0.193 4.179 3.960 0.044 0.000 0.212 484 G HA3 0.193 4.179 3.960 0.044 0.000 0.212 484 G C 0.733 175.707 174.900 0.124 0.000 1.141 484 G CA 0.068 45.231 45.100 0.105 0.000 0.797 484 G HN 0.861 nan 8.290 nan 0.000 0.531 485 G N 0.584 109.583 108.800 0.333 0.000 2.491 485 G HA2 0.416 4.403 3.960 0.044 0.000 0.242 485 G HA3 0.416 4.403 3.960 0.044 0.000 0.242 485 G C 0.209 175.218 174.900 0.182 0.000 1.266 485 G CA 0.465 45.729 45.100 0.273 0.000 0.844 485 G HN 0.368 nan 8.290 nan 0.000 0.571 486 T N -0.857 113.745 114.554 0.081 0.000 2.829 486 T HA 0.489 4.866 4.350 0.044 0.000 0.282 486 T C -0.178 174.474 174.700 -0.080 0.000 0.990 486 T CA -0.802 61.311 62.100 0.021 0.000 1.028 486 T CB 2.107 70.976 68.868 0.002 0.000 0.951 486 T HN 0.458 nan 8.240 nan 0.000 0.460 487 E N 3.286 123.362 120.200 -0.208 0.000 2.180 487 E HA 0.299 4.675 4.350 0.044 0.000 0.283 487 E C 0.593 177.133 176.600 -0.100 0.000 1.061 487 E CA -0.477 55.740 56.400 -0.303 0.000 0.861 487 E CB 0.509 29.879 29.700 -0.550 0.000 1.056 487 E HN 0.788 nan 8.360 nan 0.000 0.407 488 M N 2.437 121.985 119.600 -0.086 0.000 2.340 488 M HA 0.464 4.971 4.480 0.044 0.000 0.345 488 M C 0.805 177.056 176.300 -0.082 0.000 1.008 488 M CA 0.280 55.526 55.300 -0.091 0.000 0.987 488 M CB 0.881 33.376 32.600 -0.174 0.000 1.598 488 M HN 0.567 nan 8.290 nan 0.000 0.569 489 G N 1.674 110.484 108.800 0.016 0.000 2.380 489 G HA2 -0.250 3.736 3.960 0.044 0.000 0.197 489 G HA3 -0.250 3.736 3.960 0.044 0.000 0.197 489 G C 0.851 175.817 174.900 0.110 0.000 1.001 489 G CA 0.250 45.380 45.100 0.051 0.000 0.668 489 G HN 0.564 nan 8.290 nan 0.000 0.483 490 Q N 1.916 121.736 119.800 0.034 0.000 2.561 490 Q HA 0.248 4.614 4.340 0.044 0.000 0.217 490 Q C 1.566 177.608 176.000 0.070 0.000 0.980 490 Q CA 1.623 57.446 55.803 0.033 0.000 0.927 490 Q CB -0.732 27.990 28.738 -0.026 0.000 0.980 490 Q HN 2.022 nan 8.270 nan 0.000 0.525 491 G N 1.622 110.498 108.800 0.128 0.000 2.225 491 G HA2 -0.283 3.704 3.960 0.044 0.000 0.264 491 G HA3 -0.283 3.704 3.960 0.044 0.000 0.264 491 G C 0.274 175.113 174.900 -0.102 0.000 1.060 491 G CA 0.359 45.449 45.100 -0.017 0.000 0.833 491 G HN 0.410 nan 8.290 nan 0.000 0.498 492 L N -0.009 121.147 121.223 -0.111 0.000 2.017 492 L HA 0.052 4.418 4.340 0.044 0.000 0.208 492 L C 2.556 179.426 176.870 -0.002 0.000 1.073 492 L CA 2.832 57.624 54.840 -0.081 0.000 0.745 492 L CB -0.585 41.427 42.059 -0.078 0.000 0.894 492 L HN 0.418 nan 8.230 nan 0.000 0.432 493 H N -0.126 118.941 119.070 -0.004 0.000 2.353 493 H HA 0.009 4.590 4.556 0.043 0.000 0.300 493 H C 2.204 177.488 175.328 -0.072 0.000 1.090 493 H CA 1.203 57.268 56.048 0.029 0.000 1.327 493 H CB -0.854 28.914 29.762 0.010 0.000 1.383 493 H HN 0.483 nan 8.280 nan 0.000 0.508 494 A N 1.465 124.255 122.820 -0.049 0.000 1.883 494 A HA -0.229 4.117 4.320 0.044 0.000 0.217 494 A C 2.327 179.877 177.584 -0.057 0.000 1.186 494 A CA 2.033 54.017 52.037 -0.089 0.000 0.624 494 A CB -0.349 18.556 19.000 -0.158 0.000 0.822 494 A HN 0.393 nan 8.150 nan 0.000 0.444 495 K N -1.142 119.224 120.400 -0.058 0.000 2.097 495 K HA -0.042 4.304 4.320 0.044 0.000 0.205 495 K C 2.033 178.594 176.600 -0.065 0.000 1.050 495 K CA 1.372 57.623 56.287 -0.061 0.000 0.938 495 K CB -0.231 32.234 32.500 -0.057 0.000 0.718 495 K HN 0.355 nan 8.250 nan 0.000 0.442 496 M N 0.550 120.110 119.600 -0.067 0.000 2.175 496 M HA -0.100 4.407 4.480 0.044 0.000 0.264 496 M C 2.262 178.541 176.300 -0.035 0.000 1.063 496 M CA 1.239 56.485 55.300 -0.091 0.000 1.119 496 M CB -0.699 31.781 32.600 -0.200 0.000 1.377 496 M HN -0.072 nan 8.290 nan 0.000 0.415 497 V N 0.263 120.167 119.914 -0.016 0.000 2.343 497 V HA -0.265 3.881 4.120 0.044 0.000 0.247 497 V C 2.414 178.480 176.094 -0.047 0.000 1.051 497 V CA 1.578 63.864 62.300 -0.024 0.000 1.036 497 V CB -0.777 31.033 31.823 -0.022 0.000 0.654 497 V HN 0.505 nan 8.190 nan 0.000 0.451 498 Q N -0.662 119.100 119.800 -0.063 0.000 2.124 498 Q HA -0.165 4.201 4.340 0.044 0.000 0.202 498 Q C 2.334 178.265 176.000 -0.117 0.000 0.977 498 Q CA 1.781 57.527 55.803 -0.096 0.000 0.850 498 Q CB -0.201 28.470 28.738 -0.112 0.000 0.901 498 Q HN 0.553 nan 8.270 nan 0.000 0.429 499 V N 0.561 120.430 119.914 -0.075 0.000 2.270 499 V HA -0.259 3.888 4.120 0.044 0.000 0.245 499 V C 2.242 178.351 176.094 0.025 0.000 1.043 499 V CA 1.773 64.073 62.300 0.000 0.000 1.014 499 V CB -0.987 30.883 31.823 0.079 0.000 0.645 499 V HN 0.404 nan 8.190 nan 0.000 0.447 500 A N 0.102 122.921 122.820 -0.002 0.000 1.917 500 A HA -0.202 4.145 4.320 0.044 0.000 0.219 500 A C 2.406 179.969 177.584 -0.036 0.000 1.182 500 A CA 2.447 54.479 52.037 -0.008 0.000 0.633 500 A CB -0.864 18.130 19.000 -0.010 0.000 0.819 500 A HN 0.592 nan 8.150 nan 0.000 0.448 501 A N -0.366 122.420 122.820 -0.057 0.000 1.898 501 A HA 0.203 4.549 4.320 0.044 0.000 0.216 501 A C 2.524 180.060 177.584 -0.080 0.000 1.181 501 A CA 2.055 54.040 52.037 -0.086 0.000 0.620 501 A CB -1.045 17.904 19.000 -0.084 0.000 0.819 501 A HN 1.069 nan 8.150 nan 0.000 0.442 502 A N -0.424 122.352 122.820 -0.073 0.000 1.865 502 A HA -0.054 4.292 4.320 0.044 0.000 0.217 502 A C 2.206 179.804 177.584 0.024 0.000 1.191 502 A CA 1.955 53.956 52.037 -0.061 0.000 0.623 502 A CB -1.077 17.815 19.000 -0.179 0.000 0.826 502 A HN 0.455 nan 8.150 nan 0.000 0.444 503 V N -0.075 119.880 119.914 0.067 0.000 2.490 503 V HA -0.203 3.943 4.120 0.044 0.000 0.250 503 V C 2.373 178.459 176.094 -0.014 0.000 1.061 503 V CA 1.773 64.114 62.300 0.068 0.000 1.064 503 V CB -0.657 31.207 31.823 0.068 0.000 0.670 503 V HN 0.535 nan 8.190 nan 0.000 0.461 504 L N 0.043 121.234 121.223 -0.053 0.000 2.446 504 L HA 0.278 4.645 4.340 0.044 0.000 0.219 504 L C 1.656 178.484 176.870 -0.071 0.000 1.116 504 L CA 0.858 55.631 54.840 -0.112 0.000 0.844 504 L CB -0.420 41.531 42.059 -0.180 0.000 0.970 504 L HN 0.551 nan 8.230 nan 0.000 0.457 505 G N 1.824 110.604 108.800 -0.033 0.000 2.212 505 G HA2 -0.263 3.724 3.960 0.044 0.000 0.255 505 G HA3 -0.263 3.724 3.960 0.044 0.000 0.255 505 G C -0.002 174.860 174.900 -0.064 0.000 1.062 505 G CA 0.538 45.657 45.100 0.032 0.000 0.815 505 G HN 0.463 nan 8.290 nan 0.000 0.497 506 I N -4.002 116.465 120.570 -0.173 0.000 3.002 506 I HA 0.775 4.972 4.170 0.044 0.000 0.310 506 I C -0.269 175.773 176.117 -0.125 0.000 1.087 506 I CA -1.667 59.503 61.300 -0.217 0.000 1.017 506 I CB 1.766 39.495 38.000 -0.451 0.000 1.226 506 I HN -0.062 nan 8.210 nan 0.000 0.443 507 D N 4.084 124.430 120.400 -0.089 0.000 2.425 507 D HA 0.171 4.837 4.640 0.044 0.000 0.247 507 D C -1.563 174.700 176.300 -0.062 0.000 1.147 507 D CA -2.021 51.944 54.000 -0.058 0.000 0.879 507 D CB 1.380 42.161 40.800 -0.032 0.000 1.179 507 D HN 0.356 nan 8.370 nan 0.000 0.456 508 P HA -0.136 nan 4.420 nan 0.000 0.226 508 P C 1.456 178.735 177.300 -0.035 0.000 1.146 508 P CA 0.432 63.502 63.100 -0.050 0.000 0.773 508 P CB 0.304 31.974 31.700 -0.050 0.000 0.772 509 V N 0.468 120.365 119.914 -0.028 0.000 2.407 509 V HA -0.216 3.930 4.120 0.044 0.000 0.248 509 V C 2.658 178.747 176.094 -0.009 0.000 1.055 509 V CA 1.643 63.934 62.300 -0.016 0.000 1.049 509 V CB -1.179 30.638 31.823 -0.010 0.000 0.662 509 V HN 0.144 nan 8.190 nan 0.000 0.455 510 Q N -0.085 119.707 119.800 -0.012 0.000 2.364 510 Q HA 0.014 4.381 4.340 0.044 0.000 0.207 510 Q C 0.721 176.729 176.000 0.013 0.000 0.970 510 Q CA 0.599 56.406 55.803 0.006 0.000 0.888 510 Q CB -0.162 28.571 28.738 -0.008 0.000 0.951 510 Q HN 0.527 nan 8.270 nan 0.000 0.469 511 V N 1.709 121.618 119.914 -0.008 0.000 2.465 511 V HA 0.309 4.455 4.120 0.044 0.000 0.279 511 V C 0.059 176.153 176.094 0.000 0.000 1.045 511 V CA -0.649 61.651 62.300 -0.001 0.000 0.938 511 V CB 1.467 33.278 31.823 -0.019 0.000 0.986 511 V HN 0.055 nan 8.190 nan 0.000 0.467 512 R N 3.841 124.348 120.500 0.011 0.000 2.534 512 R HA 0.623 4.989 4.340 0.044 0.000 0.301 512 R C -1.129 175.155 176.300 -0.026 0.000 0.961 512 R CA -0.609 55.487 56.100 -0.006 0.000 0.871 512 R CB 1.471 31.774 30.300 0.005 0.000 1.170 512 R HN 0.672 nan 8.270 nan 0.000 0.446 513 I N 3.862 124.393 120.570 -0.066 0.000 2.395 513 I HA 0.312 4.509 4.170 0.044 0.000 0.289 513 I C -0.407 175.614 176.117 -0.159 0.000 1.023 513 I CA 0.432 61.643 61.300 -0.149 0.000 1.350 513 I CB 1.326 39.165 38.000 -0.269 0.000 1.409 513 I HN 0.861 nan 8.210 nan 0.000 0.507 514 T N 4.758 119.213 114.554 -0.164 0.000 2.934 514 T HA 0.802 5.179 4.350 0.044 0.000 0.283 514 T C 0.209 174.798 174.700 -0.185 0.000 1.005 514 T CA -0.667 61.357 62.100 -0.127 0.000 1.041 514 T CB 1.235 70.064 68.868 -0.066 0.000 1.042 514 T HN 0.861 nan 8.240 nan 0.000 0.505 515 A N 2.060 124.818 122.820 -0.103 0.000 2.483 515 A HA 0.456 4.803 4.320 0.044 0.000 0.238 515 A C 0.894 178.428 177.584 -0.083 0.000 1.070 515 A CA -0.460 51.537 52.037 -0.067 0.000 0.770 515 A CB -0.667 18.328 19.000 -0.008 0.000 1.008 515 A HN 0.898 nan 8.150 nan 0.000 0.497 516 T N 2.235 116.751 114.554 -0.064 0.000 2.934 516 T HA 0.263 4.640 4.350 0.044 0.000 0.306 516 T C -0.191 174.484 174.700 -0.042 0.000 1.042 516 T CA 0.683 62.742 62.100 -0.067 0.000 1.145 516 T CB 0.068 68.918 68.868 -0.030 0.000 0.982 516 T HN 0.659 nan 8.240 nan 0.000 0.544 517 D N 1.100 121.476 120.400 -0.039 0.000 2.966 517 D HA 0.138 4.804 4.640 0.044 0.000 0.222 517 D C 1.109 177.400 176.300 -0.016 0.000 1.292 517 D CA -0.422 53.557 54.000 -0.034 0.000 0.907 517 D CB 1.757 42.537 40.800 -0.033 0.000 1.621 517 D HN 0.524 nan 8.370 nan 0.000 0.557 518 T N -0.510 114.034 114.554 -0.016 0.000 2.995 518 T HA -0.112 4.264 4.350 0.044 0.000 0.269 518 T C 1.560 176.271 174.700 0.019 0.000 1.091 518 T CA 1.326 63.431 62.100 0.007 0.000 1.128 518 T CB -0.121 68.744 68.868 -0.004 0.000 0.891 518 T HN 0.255 nan 8.240 nan 0.000 0.492 519 S N 0.195 115.898 115.700 0.006 0.000 2.593 519 S HA 0.270 4.766 4.470 0.044 0.000 0.217 519 S C 1.571 176.181 174.600 0.017 0.000 0.966 519 S CA -0.318 57.891 58.200 0.015 0.000 0.914 519 S CB -0.115 63.088 63.200 0.005 0.000 0.776 519 S HN 0.553 nan 8.310 nan 0.000 0.523 520 K N 0.196 120.604 120.400 0.014 0.000 2.286 520 K HA 0.331 4.677 4.320 0.044 0.000 0.203 520 K C -0.509 176.110 176.600 0.032 0.000 1.078 520 K CA 0.360 56.657 56.287 0.017 0.000 0.957 520 K CB 0.710 33.212 32.500 0.004 0.000 1.018 520 K HN 0.162 nan 8.250 nan 0.000 0.484 521 V N 4.515 124.452 119.914 0.037 0.000 2.376 521 V HA 0.290 4.437 4.120 0.044 0.000 0.287 521 V C -2.555 173.583 176.094 0.074 0.000 1.015 521 V CA -1.841 60.498 62.300 0.065 0.000 0.834 521 V CB 1.437 33.303 31.823 0.072 0.000 1.001 521 V HN 0.107 nan 8.190 nan 0.000 0.428 522 P HA 0.425 nan 4.420 nan 0.000 0.283 522 P C -0.225 177.147 177.300 0.121 0.000 1.271 522 P CA -0.443 62.714 63.100 0.096 0.000 0.841 522 P CB 0.723 32.475 31.700 0.088 0.000 1.122 523 N N -2.350 116.429 118.700 0.132 0.000 2.714 523 N HA -0.115 4.651 4.740 0.044 0.000 0.250 523 N C -0.097 175.497 175.510 0.140 0.000 1.117 523 N CA 1.214 54.353 53.050 0.148 0.000 0.719 523 N CB -2.544 36.027 38.487 0.139 0.000 1.081 523 N HN 0.668 nan 8.380 nan 0.000 0.557 524 T N -2.430 112.198 114.554 0.123 0.000 2.907 524 T HA 0.474 4.850 4.350 0.044 0.000 0.298 524 T C 0.816 175.532 174.700 0.026 0.000 1.017 524 T CA -0.476 61.671 62.100 0.078 0.000 1.118 524 T CB 1.678 70.586 68.868 0.067 0.000 0.948 524 T HN 0.117 nan 8.240 nan 0.000 0.531 525 S N 1.265 116.899 115.700 -0.111 0.000 2.624 525 S HA 0.570 5.067 4.470 0.044 0.000 0.263 525 S C 0.819 175.058 174.600 -0.601 0.000 1.287 525 S CA -0.667 57.320 58.200 -0.355 0.000 0.990 525 S CB 0.328 63.228 63.200 -0.500 0.000 0.950 525 S HN 1.139 nan 8.310 nan 0.000 0.561 526 A N 1.243 123.448 122.820 -1.025 0.000 2.483 526 A HA 0.346 4.692 4.320 0.044 0.000 0.238 526 A C 0.461 177.968 177.584 -0.129 0.000 1.070 526 A CA -0.263 51.348 52.037 -0.709 0.000 0.770 526 A CB -0.337 18.428 19.000 -0.392 0.000 1.008 526 A HN 0.679 nan 8.150 nan 0.000 0.497 527 T N 2.228 116.742 114.554 -0.067 0.000 2.978 527 T HA 0.493 4.869 4.350 0.044 0.000 0.278 527 T C 0.362 175.065 174.700 0.005 0.000 0.945 527 T CA 0.879 62.984 62.100 0.008 0.000 1.070 527 T CB -0.701 68.164 68.868 -0.005 0.000 0.948 527 T HN 1.170 nan 8.240 nan 0.000 0.617 528 A N 2.016 124.853 122.820 0.028 0.000 2.534 528 A HA 0.886 5.233 4.320 0.044 0.000 0.300 528 A C 0.644 177.956 177.584 -0.453 0.000 1.223 528 A CA -0.336 51.625 52.037 -0.127 0.000 0.666 528 A CB 0.089 19.056 19.000 -0.055 0.000 1.316 528 A HN 1.446 nan 8.150 nan 0.000 0.468 529 A N -1.097 121.365 122.820 -0.596 0.000 2.816 529 A HA 0.020 4.367 4.320 0.044 0.000 0.270 529 A C 1.184 178.556 177.584 -0.354 0.000 1.413 529 A CA 1.860 53.492 52.037 -0.675 0.000 0.866 529 A CB -2.519 15.628 19.000 -1.421 0.000 1.032 529 A HN 2.471 nan 8.150 nan 0.000 0.642 530 S N -2.982 112.593 115.700 -0.207 0.000 3.257 530 S HA -0.311 4.185 4.470 0.044 0.000 0.300 530 S C 1.029 175.573 174.600 -0.093 0.000 1.275 530 S CA 2.003 60.140 58.200 -0.106 0.000 1.023 530 S CB -2.277 60.897 63.200 -0.044 0.000 1.180 530 S HN 2.495 nan 8.310 nan 0.000 0.660 531 S N 0.032 115.642 115.700 -0.149 0.000 2.634 531 S HA 0.413 4.909 4.470 0.044 0.000 0.221 531 S C 1.822 176.416 174.600 -0.010 0.000 0.952 531 S CA 0.425 58.583 58.200 -0.071 0.000 0.930 531 S CB 0.118 63.266 63.200 -0.087 0.000 0.780 531 S HN 0.744 nan 8.310 nan 0.000 0.498 532 G N 2.411 111.197 108.800 -0.022 0.000 2.545 532 G HA2 -0.092 3.895 3.960 0.044 0.000 0.217 532 G HA3 -0.092 3.895 3.960 0.044 0.000 0.217 532 G C 1.574 176.456 174.900 -0.029 0.000 1.218 532 G CA 0.850 45.947 45.100 -0.005 0.000 0.787 532 G HN 0.773 nan 8.290 nan 0.000 0.571 533 A N 0.200 122.995 122.820 -0.042 0.000 2.021 533 A HA 0.136 4.482 4.320 0.044 0.000 0.216 533 A C 2.019 179.563 177.584 -0.067 0.000 1.163 533 A CA 1.795 53.792 52.037 -0.068 0.000 0.676 533 A CB -0.241 18.731 19.000 -0.048 0.000 0.818 533 A HN 0.302 nan 8.150 nan 0.000 0.453 534 D N -0.147 120.233 120.400 -0.033 0.000 2.092 534 D HA -0.167 4.499 4.640 0.044 0.000 0.193 534 D C 2.068 178.283 176.300 -0.142 0.000 0.994 534 D CA 1.870 55.848 54.000 -0.037 0.000 0.828 534 D CB -0.166 40.663 40.800 0.049 0.000 0.963 534 D HN 0.473 nan 8.370 nan 0.000 0.450 535 M N -0.528 119.028 119.600 -0.073 0.000 2.299 535 M HA 0.025 4.531 4.480 0.044 0.000 0.264 535 M C 1.773 178.008 176.300 -0.110 0.000 1.095 535 M CA 0.496 55.761 55.300 -0.059 0.000 1.165 535 M CB -0.078 32.610 32.600 0.146 0.000 1.349 535 M HN -0.045 nan 8.290 nan 0.000 0.446 536 N N 0.905 119.560 118.700 -0.076 0.000 2.166 536 N HA -0.095 4.671 4.740 0.044 0.000 0.186 536 N C 1.846 177.266 175.510 -0.150 0.000 1.019 536 N CA 1.674 54.668 53.050 -0.093 0.000 0.856 536 N CB -0.380 38.029 38.487 -0.129 0.000 0.993 536 N HN 0.426 nan 8.380 nan 0.000 0.426 537 G N 1.641 110.340 108.800 -0.169 0.000 2.440 537 G HA2 -0.223 3.763 3.960 0.044 0.000 0.218 537 G HA3 -0.223 3.763 3.960 0.044 0.000 0.218 537 G C 1.595 176.405 174.900 -0.150 0.000 1.154 537 G CA 0.600 45.619 45.100 -0.135 0.000 0.767 537 G HN 0.150 nan 8.290 nan 0.000 0.552 538 M N 0.974 120.407 119.600 -0.277 0.000 2.099 538 M HA 0.090 4.596 4.480 0.044 0.000 0.262 538 M C 3.096 179.312 176.300 -0.140 0.000 1.067 538 M CA 1.313 56.408 55.300 -0.341 0.000 1.124 538 M CB -1.284 30.775 32.600 -0.901 0.000 1.353 538 M HN 0.315 nan 8.290 nan 0.000 0.410 539 A N -0.005 122.766 122.820 -0.082 0.000 1.908 539 A HA -0.116 4.231 4.320 0.044 0.000 0.218 539 A C 2.460 180.057 177.584 0.022 0.000 1.181 539 A CA 1.972 54.018 52.037 0.015 0.000 0.627 539 A CB -1.072 17.941 19.000 0.023 0.000 0.818 539 A HN 0.294 nan 8.150 nan 0.000 0.445 540 V N 0.259 120.169 119.914 -0.008 0.000 2.261 540 V HA -0.285 3.861 4.120 0.044 0.000 0.246 540 V C 2.576 178.672 176.094 0.004 0.000 1.047 540 V CA 2.448 64.752 62.300 0.006 0.000 1.015 540 V CB -0.638 31.175 31.823 -0.017 0.000 0.642 540 V HN 0.746 nan 8.190 nan 0.000 0.446 541 K N 0.013 120.404 120.400 -0.015 0.000 2.152 541 K HA -0.290 4.057 4.320 0.044 0.000 0.206 541 K C 1.869 178.459 176.600 -0.016 0.000 1.048 541 K CA 2.162 58.438 56.287 -0.017 0.000 0.933 541 K CB -0.309 32.150 32.500 -0.068 0.000 0.721 541 K HN 0.528 nan 8.250 nan 0.000 0.447 542 D N 0.015 120.414 120.400 -0.001 0.000 2.117 542 D HA -0.116 4.550 4.640 0.044 0.000 0.197 542 D C 1.689 178.006 176.300 0.028 0.000 0.987 542 D CA 1.555 55.571 54.000 0.027 0.000 0.829 542 D CB -0.079 40.764 40.800 0.072 0.000 0.961 542 D HN 0.334 nan 8.370 nan 0.000 0.460 543 A N -0.627 122.212 122.820 0.032 0.000 1.969 543 A HA -0.104 4.242 4.320 0.044 0.000 0.218 543 A C 2.545 180.133 177.584 0.007 0.000 1.169 543 A CA 1.324 53.377 52.037 0.026 0.000 0.635 543 A CB -0.790 18.231 19.000 0.034 0.000 0.810 543 A HN 0.483 nan 8.150 nan 0.000 0.445 544 C N -0.906 118.394 119.300 0.000 0.000 2.486 544 C HA -0.002 4.485 4.460 0.044 0.000 0.279 544 C C 2.571 177.538 174.990 -0.038 0.000 1.302 544 C CA 0.913 59.922 59.018 -0.014 0.000 1.720 544 C CB -1.133 26.600 27.740 -0.011 0.000 2.030 544 C HN 0.680 nan 8.230 nan 0.000 0.490 545 E N 0.573 120.753 120.200 -0.033 0.000 2.153 545 E HA -0.171 4.206 4.350 0.044 0.000 0.194 545 E C 2.068 178.644 176.600 -0.040 0.000 0.988 545 E CA 1.664 58.037 56.400 -0.045 0.000 0.811 545 E CB -0.167 29.515 29.700 -0.031 0.000 0.746 545 E HN 0.616 nan 8.360 nan 0.000 0.466 546 T N 1.314 115.855 114.554 -0.021 0.000 2.674 546 T HA -0.146 4.231 4.350 0.044 0.000 0.265 546 T C 1.934 176.619 174.700 -0.026 0.000 1.039 546 T CA 0.877 62.969 62.100 -0.014 0.000 1.150 546 T CB -0.214 68.654 68.868 -0.000 0.000 0.864 546 T HN 0.091 nan 8.240 nan 0.000 0.427 547 L N 0.298 121.503 121.223 -0.029 0.000 2.027 547 L HA -0.044 4.322 4.340 0.044 0.000 0.206 547 L C 3.014 179.845 176.870 -0.065 0.000 1.074 547 L CA 1.226 56.047 54.840 -0.031 0.000 0.745 547 L CB -0.431 41.623 42.059 -0.009 0.000 0.898 547 L HN 0.121 nan 8.230 nan 0.000 0.433 548 R N 0.225 120.645 120.500 -0.133 0.000 2.096 548 R HA -0.151 4.216 4.340 0.044 0.000 0.235 548 R C 2.153 178.315 176.300 -0.231 0.000 1.127 548 R CA 1.508 57.407 56.100 -0.335 0.000 0.968 548 R CB -0.515 29.535 30.300 -0.416 0.000 0.861 548 R HN 0.445 nan 8.270 nan 0.000 0.440 549 G N 0.692 109.430 108.800 -0.104 0.000 2.446 549 G HA2 -0.273 3.714 3.960 0.044 0.000 0.217 549 G HA3 -0.273 3.714 3.960 0.044 0.000 0.217 549 G C 1.521 176.428 174.900 0.012 0.000 1.168 549 G CA 0.559 45.641 45.100 -0.030 0.000 0.771 549 G HN 0.327 nan 8.290 nan 0.000 0.551 550 R N -0.292 120.211 120.500 0.004 0.000 2.091 550 R HA 0.043 4.409 4.340 0.044 0.000 0.238 550 R C 2.662 179.014 176.300 0.086 0.000 1.136 550 R CA 1.055 57.172 56.100 0.029 0.000 0.959 550 R CB -0.446 29.852 30.300 -0.003 0.000 0.856 550 R HN 0.341 nan 8.270 nan 0.000 0.437 551 L N -0.168 121.110 121.223 0.092 0.000 2.072 551 L HA -0.094 4.272 4.340 0.044 0.000 0.205 551 L C 2.704 179.792 176.870 0.363 0.000 1.079 551 L CA 1.070 56.051 54.840 0.235 0.000 0.752 551 L CB -0.580 41.636 42.059 0.262 0.000 0.906 551 L HN 0.231 nan 8.230 nan 0.000 0.436 552 A N 0.466 123.476 122.820 0.317 0.000 1.908 552 A HA -0.152 4.195 4.320 0.044 0.000 0.218 552 A C 2.394 180.081 177.584 0.172 0.000 1.181 552 A CA 1.849 54.084 52.037 0.331 0.000 0.627 552 A CB -1.304 17.859 19.000 0.271 0.000 0.818 552 A HN 0.446 nan 8.150 nan 0.000 0.445 553 G N -1.134 107.747 108.800 0.134 0.000 2.418 553 G HA2 -0.217 3.769 3.960 0.044 0.000 0.217 553 G HA3 -0.217 3.769 3.960 0.044 0.000 0.217 553 G C 1.453 176.410 174.900 0.095 0.000 1.158 553 G CA 1.192 46.347 45.100 0.092 0.000 0.771 553 G HN 0.550 nan 8.290 nan 0.000 0.545 554 F N 1.582 121.529 119.950 -0.006 0.000 2.075 554 F HA -0.103 4.452 4.527 0.045 0.000 0.297 554 F C 2.605 178.364 175.800 -0.069 0.000 1.113 554 F CA 1.624 59.599 58.000 -0.041 0.000 1.218 554 F CB -0.554 38.413 39.000 -0.055 0.000 0.984 554 F HN 0.005 nan 8.300 nan 0.000 0.472 555 V N 0.996 120.692 119.914 -0.364 0.000 2.295 555 V HA -0.305 3.842 4.120 0.044 0.000 0.246 555 V C 2.854 178.760 176.094 -0.314 0.000 1.049 555 V CA 1.931 63.924 62.300 -0.511 0.000 1.024 555 V CB -1.731 29.934 31.823 -0.264 0.000 0.648 555 V HN 0.536 nan 8.190 nan 0.000 0.447 556 A N -0.126 122.613 122.820 -0.134 0.000 1.940 556 A HA -0.129 4.217 4.320 0.044 0.000 0.219 556 A C 2.408 179.937 177.584 -0.092 0.000 1.176 556 A CA 2.220 54.216 52.037 -0.068 0.000 0.631 556 A CB -0.745 18.252 19.000 -0.005 0.000 0.814 556 A HN 0.576 nan 8.150 nan 0.000 0.446 557 A N -0.471 122.279 122.820 -0.116 0.000 1.841 557 A HA -0.144 4.202 4.320 0.044 0.000 0.214 557 A C 2.306 179.803 177.584 -0.146 0.000 1.195 557 A CA 1.613 53.590 52.037 -0.099 0.000 0.611 557 A CB -0.566 18.396 19.000 -0.063 0.000 0.835 557 A HN 0.445 nan 8.150 nan 0.000 0.443 558 R N -0.239 120.093 120.500 -0.281 0.000 2.096 558 R HA -0.119 4.247 4.340 0.044 0.000 0.235 558 R C 1.010 177.193 176.300 -0.195 0.000 1.127 558 R CA 1.675 57.596 56.100 -0.299 0.000 0.968 558 R CB -0.218 29.726 30.300 -0.594 0.000 0.861 558 R HN 0.475 nan 8.270 nan 0.000 0.440 559 E N -0.563 119.527 120.200 -0.185 0.000 2.479 559 E HA 0.072 4.448 4.350 0.044 0.000 0.193 559 E C 0.291 176.870 176.600 -0.034 0.000 1.049 559 E CA 0.596 56.956 56.400 -0.067 0.000 0.870 559 E CB 0.322 30.017 29.700 -0.008 0.000 0.944 559 E HN 0.543 nan 8.360 nan 0.000 0.492 560 G N 2.256 111.024 108.800 -0.053 0.000 2.392 560 G HA2 -0.272 3.714 3.960 0.044 0.000 0.290 560 G HA3 -0.272 3.714 3.960 0.044 0.000 0.290 560 G C 0.302 175.195 174.900 -0.013 0.000 1.032 560 G CA 0.421 45.504 45.100 -0.029 0.000 1.269 560 G HN 0.418 nan 8.290 nan 0.000 0.511 561 C N -1.638 117.655 119.300 -0.012 0.000 3.260 561 C HA 0.962 5.448 4.460 0.044 0.000 0.366 561 C C 0.847 175.841 174.990 0.007 0.000 1.537 561 C CA -0.410 58.609 59.018 0.002 0.000 1.160 561 C CB 1.088 28.835 27.740 0.012 0.000 1.760 561 C HN 2.350 nan 8.230 nan 0.000 0.432 562 A N 0.511 123.341 122.820 0.016 0.000 2.483 562 A HA 0.572 4.918 4.320 0.044 0.000 0.238 562 A C 1.369 178.974 177.584 0.034 0.000 1.070 562 A CA 0.572 52.623 52.037 0.023 0.000 0.770 562 A CB -0.119 18.896 19.000 0.026 0.000 1.008 562 A HN 2.410 nan 8.150 nan 0.000 0.497 563 A N 1.794 124.638 122.820 0.040 0.000 1.929 563 A HA -0.085 4.261 4.320 0.044 0.000 0.216 563 A C 1.992 179.625 177.584 0.081 0.000 1.176 563 A CA 1.414 53.487 52.037 0.060 0.000 0.628 563 A CB -0.400 18.632 19.000 0.054 0.000 0.816 563 A HN 0.960 nan 8.150 nan 0.000 0.444 564 R N -0.684 119.856 120.500 0.065 0.000 2.316 564 R HA 0.015 4.381 4.340 0.044 0.000 0.202 564 R C 0.096 176.443 176.300 0.078 0.000 1.029 564 R CA 1.305 57.448 56.100 0.071 0.000 1.018 564 R CB -0.305 30.026 30.300 0.051 0.000 0.888 564 R HN 0.206 nan 8.270 nan 0.000 0.471 565 D N 0.785 121.229 120.400 0.073 0.000 2.339 565 D HA 0.066 4.732 4.640 0.044 0.000 0.217 565 D C -0.267 176.085 176.300 0.087 0.000 1.050 565 D CA 0.265 54.306 54.000 0.069 0.000 0.856 565 D CB 0.639 41.469 40.800 0.050 0.000 0.922 565 D HN 0.016 nan 8.370 nan 0.000 0.518 566 V N 2.296 122.283 119.914 0.121 0.000 2.406 566 V HA 0.262 4.408 4.120 0.044 0.000 0.272 566 V C 0.427 176.643 176.094 0.203 0.000 1.043 566 V CA -0.480 61.905 62.300 0.142 0.000 0.915 566 V CB 1.230 33.167 31.823 0.190 0.000 0.988 566 V HN -0.098 nan 8.190 nan 0.000 0.466 567 I N 5.027 125.665 120.570 0.113 0.000 2.377 567 I HA 0.464 4.660 4.170 0.044 0.000 0.293 567 I C -0.817 175.351 176.117 0.085 0.000 0.987 567 I CA -0.197 61.198 61.300 0.158 0.000 1.185 567 I CB 1.388 39.446 38.000 0.096 0.000 1.341 567 I HN 0.354 nan 8.210 nan 0.000 0.455 568 F N 3.983 124.004 119.950 0.118 0.000 2.347 568 F HA 0.428 4.981 4.527 0.044 0.000 0.366 568 F C -0.238 175.614 175.800 0.086 0.000 1.107 568 F CA -0.587 57.497 58.000 0.140 0.000 1.058 568 F CB 0.993 40.090 39.000 0.163 0.000 1.236 568 F HN 0.380 nan 8.300 nan 0.000 0.456 569 D N 2.172 122.676 120.400 0.174 0.000 2.890 569 D HA 0.548 5.214 4.640 0.044 0.000 0.233 569 D C -0.454 175.887 176.300 0.067 0.000 1.306 569 D CA -0.228 53.835 54.000 0.105 0.000 0.929 569 D CB 1.609 42.455 40.800 0.077 0.000 1.512 569 D HN 0.723 nan 8.370 nan 0.000 0.568 570 A N 3.079 125.923 122.820 0.041 0.000 2.416 570 A HA 0.218 4.565 4.320 0.044 0.000 0.293 570 A C 1.534 179.138 177.584 0.034 0.000 1.452 570 A CA 1.657 53.706 52.037 0.019 0.000 0.738 570 A CB -2.077 16.932 19.000 0.014 0.000 1.123 570 A HN 1.932 nan 8.150 nan 0.000 0.389 571 G N -1.546 107.274 108.800 0.034 0.000 2.180 571 G HA2 -0.257 3.729 3.960 0.044 0.000 0.263 571 G HA3 -0.257 3.729 3.960 0.044 0.000 0.263 571 G C 0.020 175.012 174.900 0.154 0.000 0.989 571 G CA 1.153 46.303 45.100 0.084 0.000 0.692 571 G HN 1.483 nan 8.290 nan 0.000 0.526 572 Q N -0.623 119.251 119.800 0.124 0.000 2.342 572 Q HA 0.653 5.019 4.340 0.044 0.000 0.267 572 Q C -0.466 175.573 176.000 0.065 0.000 1.038 572 Q CA -0.690 55.174 55.803 0.102 0.000 0.832 572 Q CB 2.786 31.554 28.738 0.050 0.000 1.323 572 Q HN 0.222 nan 8.270 nan 0.000 0.448 573 V N 2.006 121.949 119.914 0.049 0.000 2.448 573 V HA 0.405 4.552 4.120 0.044 0.000 0.295 573 V C -0.510 175.628 176.094 0.073 0.000 1.025 573 V CA -0.635 61.585 62.300 -0.134 0.000 0.859 573 V CB 1.856 33.520 31.823 -0.265 0.000 0.988 573 V HN 0.677 nan 8.190 nan 0.000 0.431 574 Q N 2.444 122.242 119.800 -0.003 0.000 2.323 574 Q HA 0.828 5.194 4.340 0.044 0.000 0.271 574 Q C -0.992 175.069 176.000 0.101 0.000 1.048 574 Q CA -0.401 55.436 55.803 0.056 0.000 0.792 574 Q CB 2.278 31.014 28.738 -0.002 0.000 1.280 574 Q HN 1.033 nan 8.270 nan 0.000 0.441 575 A N 1.596 124.516 122.820 0.167 0.000 2.582 575 A HA 0.569 4.915 4.320 0.044 0.000 0.297 575 A C -0.252 177.406 177.584 0.123 0.000 1.059 575 A CA -0.117 52.010 52.037 0.150 0.000 0.705 575 A CB 1.415 20.519 19.000 0.174 0.000 1.279 575 A HN 0.726 nan 8.150 nan 0.000 0.404 576 S N 0.111 115.851 115.700 0.067 0.000 3.587 576 S HA -0.069 4.427 4.470 0.044 0.000 0.337 576 S C 1.437 176.035 174.600 -0.005 0.000 1.119 576 S CA 1.991 60.215 58.200 0.040 0.000 0.976 576 S CB -1.410 61.831 63.200 0.068 0.000 0.922 576 S HN 2.878 nan 8.310 nan 0.000 0.503 577 G N 0.024 108.807 108.800 -0.028 0.000 2.273 577 G HA2 -0.304 3.682 3.960 0.044 0.000 0.280 577 G HA3 -0.304 3.682 3.960 0.044 0.000 0.280 577 G C -0.293 174.523 174.900 -0.140 0.000 1.047 577 G CA 1.029 46.088 45.100 -0.068 0.000 0.869 577 G HN 0.703 nan 8.290 nan 0.000 0.502 578 K N -0.556 119.710 120.400 -0.223 0.000 2.477 578 K HA 0.731 5.077 4.320 0.044 0.000 0.255 578 K C -0.230 175.939 176.600 -0.719 0.000 0.952 578 K CA -0.240 55.745 56.287 -0.503 0.000 0.826 578 K CB 2.260 34.393 32.500 -0.612 0.000 1.331 578 K HN 0.532 nan 8.250 nan 0.000 0.437 579 S N 0.758 115.940 115.700 -0.864 0.000 2.549 579 S HA 0.665 5.161 4.470 0.044 0.000 0.280 579 S C -1.236 172.923 174.600 -0.735 0.000 1.109 579 S CA -0.828 57.000 58.200 -0.620 0.000 0.905 579 S CB 1.219 64.268 63.200 -0.251 0.000 1.081 579 S HN 0.610 nan 8.310 nan 0.000 0.477 580 W N 0.779 122.054 121.300 -0.042 0.000 2.975 580 W HA 0.508 5.195 4.660 0.044 0.000 0.342 580 W C 0.129 176.645 176.519 -0.005 0.000 1.168 580 W CA -1.015 56.316 57.345 -0.022 0.000 1.141 580 W CB 1.935 31.378 29.460 -0.028 0.000 1.445 580 W HN 0.604 nan 8.180 nan 0.000 0.560 581 R N 0.560 121.216 120.500 0.261 0.000 2.531 581 R HA 0.143 4.509 4.340 0.044 0.000 0.273 581 R C 1.137 177.577 176.300 0.233 0.000 1.070 581 R CA -0.515 55.710 56.100 0.209 0.000 1.112 581 R CB 0.717 31.113 30.300 0.161 0.000 1.049 581 R HN 0.424 nan 8.270 nan 0.000 0.508 582 F N 1.977 121.990 119.950 0.106 0.000 2.161 582 F HA -0.226 4.327 4.527 0.043 0.000 0.300 582 F C 1.984 177.851 175.800 0.112 0.000 1.089 582 F CA 2.036 60.108 58.000 0.121 0.000 1.282 582 F CB -0.076 39.009 39.000 0.142 0.000 1.010 582 F HN 0.669 nan 8.300 nan 0.000 0.485 583 A N -0.180 122.758 122.820 0.197 0.000 1.933 583 A HA -0.193 4.154 4.320 0.044 0.000 0.218 583 A C 2.156 179.747 177.584 0.012 0.000 1.175 583 A CA 1.788 53.878 52.037 0.089 0.000 0.628 583 A CB -0.804 18.272 19.000 0.126 0.000 0.814 583 A HN 0.531 nan 8.150 nan 0.000 0.444 584 E N -0.500 119.733 120.200 0.054 0.000 2.110 584 E HA -0.144 4.232 4.350 0.044 0.000 0.193 584 E C 1.814 178.396 176.600 -0.031 0.000 0.988 584 E CA 1.008 57.441 56.400 0.054 0.000 0.804 584 E CB -0.147 29.649 29.700 0.161 0.000 0.745 584 E HN 0.532 nan 8.360 nan 0.000 0.458 585 I N 0.537 121.051 120.570 -0.093 0.000 2.286 585 I HA -0.174 4.023 4.170 0.044 0.000 0.245 585 I C 2.406 178.420 176.117 -0.171 0.000 1.104 585 I CA 0.796 62.011 61.300 -0.143 0.000 1.397 585 I CB -0.895 37.001 38.000 -0.174 0.000 1.072 585 I HN 0.003 nan 8.210 nan 0.000 0.417 586 V N 1.507 121.252 119.914 -0.281 0.000 2.295 586 V HA -0.264 3.883 4.120 0.044 0.000 0.246 586 V C 2.834 178.841 176.094 -0.145 0.000 1.049 586 V CA 1.956 64.096 62.300 -0.268 0.000 1.024 586 V CB -1.040 30.606 31.823 -0.296 0.000 0.648 586 V HN 0.450 nan 8.190 nan 0.000 0.447 587 A N -0.287 122.484 122.820 -0.082 0.000 1.933 587 A HA -0.099 4.247 4.320 0.044 0.000 0.218 587 A C 2.382 179.970 177.584 0.008 0.000 1.175 587 A CA 2.039 54.069 52.037 -0.012 0.000 0.628 587 A CB -0.690 18.310 19.000 0.000 0.000 0.814 587 A HN 0.582 nan 8.150 nan 0.000 0.444 588 A N -0.220 122.572 122.820 -0.047 0.000 1.930 588 A HA 0.220 4.566 4.320 0.044 0.000 0.217 588 A C 2.465 179.852 177.584 -0.329 0.000 1.175 588 A CA 1.853 53.869 52.037 -0.035 0.000 0.627 588 A CB -0.888 18.175 19.000 0.105 0.000 0.815 588 A HN 1.007 nan 8.150 nan 0.000 0.443 589 A N -1.443 120.989 122.820 -0.646 0.000 1.969 589 A HA -0.059 4.288 4.320 0.044 0.000 0.218 589 A C 2.096 179.377 177.584 -0.504 0.000 1.169 589 A CA 1.549 52.931 52.037 -1.091 0.000 0.635 589 A CB -0.763 17.739 19.000 -0.830 0.000 0.810 589 A HN 0.767 nan 8.150 nan 0.000 0.445 590 Y N 0.086 120.181 120.300 -0.341 0.000 2.145 590 Y HA -0.227 4.350 4.550 0.045 0.000 0.286 590 Y C 2.252 178.050 175.900 -0.169 0.000 1.145 590 Y CA 2.138 60.114 58.100 -0.207 0.000 1.148 590 Y CB -0.251 38.129 38.460 -0.133 0.000 0.981 590 Y HN 0.203 nan 8.280 nan 0.000 0.507 591 M N 0.287 119.751 119.600 -0.227 0.000 2.149 591 M HA -0.151 4.356 4.480 0.044 0.000 0.261 591 M C 2.234 178.385 176.300 -0.248 0.000 1.064 591 M CA 1.658 56.814 55.300 -0.240 0.000 1.102 591 M CB -1.619 30.953 32.600 -0.047 0.000 1.369 591 M HN 0.504 nan 8.290 nan 0.000 0.408 592 A N -0.516 122.153 122.820 -0.252 0.000 2.235 592 A HA 0.031 4.378 4.320 0.044 0.000 0.208 592 A C 0.804 178.261 177.584 -0.211 0.000 1.172 592 A CA 0.030 51.959 52.037 -0.181 0.000 0.786 592 A CB -0.499 18.406 19.000 -0.159 0.000 0.804 592 A HN 0.570 nan 8.150 nan 0.000 0.479 593 R N -1.439 118.882 120.500 -0.298 0.000 3.267 593 R HA -0.150 4.216 4.340 0.044 0.000 0.254 593 R C -1.108 175.080 176.300 -0.186 0.000 0.993 593 R CA 0.697 56.640 56.100 -0.261 0.000 0.670 593 R CB -1.995 28.184 30.300 -0.200 0.000 1.125 593 R HN 0.573 nan 8.270 nan 0.000 0.434 594 I N 0.081 120.525 120.570 -0.211 0.000 2.377 594 I HA 0.122 4.318 4.170 0.044 0.000 0.293 594 I C 0.941 176.990 176.117 -0.112 0.000 0.987 594 I CA -0.441 60.766 61.300 -0.155 0.000 1.185 594 I CB 1.907 39.786 38.000 -0.201 0.000 1.341 594 I HN 0.070 nan 8.210 nan 0.000 0.455 595 S N 6.034 121.689 115.700 -0.074 0.000 2.525 595 S HA 0.229 4.726 4.470 0.044 0.000 0.285 595 S C 0.382 174.948 174.600 -0.057 0.000 1.283 595 S CA -0.178 57.990 58.200 -0.053 0.000 1.072 595 S CB 0.101 63.277 63.200 -0.041 0.000 0.867 595 S HN 0.492 nan 8.310 nan 0.000 0.492 596 L N 4.500 125.688 121.223 -0.057 0.000 2.984 596 L HA 0.351 4.718 4.340 0.044 0.000 0.246 596 L C 0.379 177.196 176.870 -0.088 0.000 1.268 596 L CA -0.223 54.574 54.840 -0.071 0.000 1.054 596 L CB 0.382 42.392 42.059 -0.081 0.000 1.393 596 L HN 0.513 nan 8.230 nan 0.000 0.532 597 S N 0.647 116.307 115.700 -0.067 0.000 2.614 597 S HA 0.859 5.355 4.470 0.044 0.000 0.288 597 S C -0.894 173.685 174.600 -0.036 0.000 1.137 597 S CA -0.333 57.828 58.200 -0.065 0.000 0.992 597 S CB 1.595 64.755 63.200 -0.066 0.000 1.026 597 S HN 0.218 nan 8.310 nan 0.000 0.486 598 A N 2.985 125.791 122.820 -0.024 0.000 2.520 598 A HA 0.796 5.142 4.320 0.044 0.000 0.298 598 A C 0.003 177.594 177.584 0.012 0.000 1.051 598 A CA -0.628 51.406 52.037 -0.005 0.000 0.690 598 A CB 1.309 20.307 19.000 -0.003 0.000 1.281 598 A HN 0.955 nan 8.150 nan 0.000 0.402 599 T N -0.677 113.892 114.554 0.025 0.000 2.862 599 T HA 0.809 5.185 4.350 0.044 0.000 0.276 599 T C 0.332 175.077 174.700 0.074 0.000 0.974 599 T CA -0.141 61.990 62.100 0.051 0.000 0.966 599 T CB 1.686 70.586 68.868 0.055 0.000 1.072 599 T HN 1.907 nan 8.240 nan 0.000 0.538 600 G N -0.177 108.692 108.800 0.116 0.000 2.753 600 G HA2 0.570 4.557 3.960 0.044 0.000 0.297 600 G HA3 0.570 4.557 3.960 0.044 0.000 0.297 600 G C -2.126 172.918 174.900 0.239 0.000 1.430 600 G CA -0.770 44.416 45.100 0.143 0.000 1.040 600 G HN 0.732 nan 8.290 nan 0.000 0.530 601 F N 1.965 121.958 119.950 0.071 0.000 2.591 601 F HA 0.766 5.319 4.527 0.042 0.000 0.309 601 F C -1.789 174.101 175.800 0.150 0.000 1.098 601 F CA -1.199 56.855 58.000 0.090 0.000 0.937 601 F CB 2.330 41.361 39.000 0.051 0.000 1.250 601 F HN 0.567 nan 8.300 nan 0.000 0.447 602 Y N 4.092 123.982 120.300 -0.683 0.000 2.457 602 Y HA 0.795 5.371 4.550 0.043 0.000 0.343 602 Y C -1.636 173.882 175.900 -0.636 0.000 0.994 602 Y CA -0.848 56.986 58.100 -0.444 0.000 1.031 602 Y CB 1.783 40.102 38.460 -0.235 0.000 1.246 602 Y HN 0.849 nan 8.280 nan 0.000 0.449 603 A N 3.508 125.737 122.820 -0.986 0.000 2.371 603 A HA 0.611 4.958 4.320 0.044 0.000 0.311 603 A C -0.871 176.128 177.584 -0.974 0.000 1.068 603 A CA -0.784 50.815 52.037 -0.731 0.000 0.744 603 A CB 0.884 19.746 19.000 -0.230 0.000 1.239 603 A HN 0.697 nan 8.150 nan 0.000 0.435 604 T N 5.405 119.609 114.554 -0.583 0.000 2.799 604 T HA 0.418 4.795 4.350 0.044 0.000 0.296 604 T C -1.969 172.633 174.700 -0.164 0.000 0.947 604 T CA -0.247 61.670 62.100 -0.304 0.000 1.141 604 T CB 0.186 69.057 68.868 0.005 0.000 0.891 604 T HN 0.593 nan 8.240 nan 0.000 0.533 605 P HA 0.311 nan 4.420 nan 0.000 0.276 605 P C 0.160 177.456 177.300 -0.007 0.000 1.261 605 P CA -0.525 62.549 63.100 -0.044 0.000 0.800 605 P CB 0.728 32.420 31.700 -0.014 0.000 1.066 606 K N -2.205 118.193 120.400 -0.003 0.000 3.587 606 K HA -0.140 4.207 4.320 0.044 0.000 0.294 606 K C 0.027 176.625 176.600 -0.003 0.000 1.279 606 K CA 0.726 57.016 56.287 0.005 0.000 1.004 606 K CB -1.782 30.728 32.500 0.016 0.000 1.276 606 K HN 0.384 nan 8.250 nan 0.000 0.459 607 L N 1.419 122.637 121.223 -0.009 0.000 2.290 607 L HA 0.389 4.756 4.340 0.044 0.000 0.284 607 L C 0.233 177.118 176.870 0.025 0.000 1.078 607 L CA -0.291 54.541 54.840 -0.012 0.000 0.815 607 L CB 1.620 43.668 42.059 -0.019 0.000 1.162 607 L HN 0.084 nan 8.230 nan 0.000 0.435 608 S N 4.410 120.143 115.700 0.054 0.000 2.428 608 S HA 0.431 4.928 4.470 0.044 0.000 0.269 608 S C -1.762 172.936 174.600 0.163 0.000 1.026 608 S CA -0.773 57.479 58.200 0.088 0.000 1.019 608 S CB 0.485 63.709 63.200 0.041 0.000 1.191 608 S HN 0.651 nan 8.310 nan 0.000 0.429 609 W N 3.832 125.065 121.300 -0.112 0.000 3.217 609 W HA 0.623 5.309 4.660 0.043 0.000 0.323 609 W C -1.930 174.519 176.519 -0.116 0.000 1.216 609 W CA -0.907 56.355 57.345 -0.137 0.000 1.194 609 W CB 0.649 29.980 29.460 -0.216 0.000 1.397 609 W HN 0.572 nan 8.180 nan 0.000 0.537 610 D N 3.411 123.569 120.400 -0.404 0.000 2.359 610 D HA 0.194 4.860 4.640 0.044 0.000 0.230 610 D C 1.400 177.118 176.300 -0.970 0.000 1.118 610 D CA -0.153 53.499 54.000 -0.579 0.000 0.844 610 D CB 1.337 41.968 40.800 -0.281 0.000 1.059 610 D HN 0.508 nan 8.370 nan 0.000 0.493 611 R N 3.253 123.021 120.500 -1.220 0.000 2.091 611 R HA -0.132 4.235 4.340 0.044 0.000 0.238 611 R C 1.465 177.585 176.300 -0.299 0.000 1.136 611 R CA 1.247 56.677 56.100 -1.116 0.000 0.959 611 R CB -0.020 29.933 30.300 -0.577 0.000 0.856 611 R HN 0.526 nan 8.270 nan 0.000 0.437 612 L N -0.218 120.899 121.223 -0.177 0.000 2.095 612 L HA -0.043 4.324 4.340 0.044 0.000 0.204 612 L C 2.732 179.669 176.870 0.111 0.000 1.080 612 L CA 1.196 56.065 54.840 0.049 0.000 0.759 612 L CB -0.258 41.798 42.059 -0.006 0.000 0.914 612 L HN 0.102 nan 8.230 nan 0.000 0.439 613 R N -0.058 120.406 120.500 -0.060 0.000 2.148 613 R HA 0.032 4.398 4.340 0.044 0.000 0.223 613 R C 0.902 177.037 176.300 -0.276 0.000 1.088 613 R CA 0.713 56.772 56.100 -0.069 0.000 0.985 613 R CB -0.136 30.113 30.300 -0.084 0.000 0.880 613 R HN 0.451 nan 8.270 nan 0.000 0.451 614 G N 1.551 110.011 108.800 -0.567 0.000 2.289 614 G HA2 -0.211 3.776 3.960 0.044 0.000 0.280 614 G HA3 -0.211 3.776 3.960 0.044 0.000 0.280 614 G C -0.422 174.183 174.900 -0.491 0.000 1.089 614 G CA -0.044 44.324 45.100 -1.220 0.000 0.939 614 G HN 0.186 nan 8.290 nan 0.000 0.499 615 Q N -1.033 118.661 119.800 -0.176 0.000 2.397 615 Q HA 0.781 5.147 4.340 0.044 0.000 0.275 615 Q C 0.464 176.536 176.000 0.120 0.000 1.090 615 Q CA 0.258 56.051 55.803 -0.016 0.000 0.809 615 Q CB 2.248 30.960 28.738 -0.044 0.000 1.362 615 Q HN 1.733 nan 8.270 nan 0.000 0.431 616 G N 1.113 109.991 108.800 0.129 0.000 2.298 616 G HA2 -0.078 3.909 3.960 0.044 0.000 0.309 616 G HA3 -0.078 3.909 3.960 0.044 0.000 0.309 616 G C -1.468 173.497 174.900 0.108 0.000 1.279 616 G CA -0.932 44.253 45.100 0.141 0.000 1.042 616 G HN 0.399 nan 8.290 nan 0.000 0.480 617 R N 1.509 122.045 120.500 0.061 0.000 2.363 617 R HA 0.448 4.814 4.340 0.044 0.000 0.297 617 R C -1.762 174.388 176.300 -0.251 0.000 1.208 617 R CA -1.701 54.363 56.100 -0.059 0.000 1.121 617 R CB 1.608 31.893 30.300 -0.025 0.000 1.124 617 R HN 0.304 nan 8.270 nan 0.000 0.561 618 P HA -0.018 nan 4.420 nan 0.000 0.224 618 P C -0.335 176.355 177.300 -1.017 0.000 1.157 618 P CA 0.764 63.106 63.100 -1.263 0.000 0.799 618 P CB 0.288 30.497 31.700 -2.484 0.000 0.809 619 F N -0.853 118.844 119.950 -0.423 0.000 2.495 619 F HA 0.286 4.839 4.527 0.043 0.000 0.327 619 F C 1.605 177.155 175.800 -0.417 0.000 1.103 619 F CA -1.258 56.439 58.000 -0.505 0.000 0.949 619 F CB 1.574 40.102 39.000 -0.787 0.000 1.142 619 F HN -0.316 nan 8.300 nan 0.000 0.457 620 L N 3.562 124.689 121.223 -0.160 0.000 2.072 620 L HA 0.011 4.378 4.340 0.044 0.000 0.205 620 L C -0.284 176.580 176.870 -0.012 0.000 1.079 620 L CA 1.678 56.486 54.840 -0.052 0.000 0.752 620 L CB -0.334 41.764 42.059 0.065 0.000 0.906 620 L HN 0.666 nan 8.230 nan 0.000 0.436 621 Y N -4.539 115.609 120.300 -0.253 0.000 2.744 621 Y HA 0.605 5.182 4.550 0.044 0.000 0.330 621 Y C -1.410 174.142 175.900 -0.580 0.000 1.263 621 Y CA -2.413 55.518 58.100 -0.282 0.000 1.065 621 Y CB 0.311 38.729 38.460 -0.070 0.000 1.306 621 Y HN -0.206 nan 8.280 nan 0.000 0.459 622 F N 1.290 121.300 119.950 0.101 0.000 2.507 622 F HA 0.806 5.359 4.527 0.044 0.000 0.325 622 F C 0.303 175.984 175.800 -0.199 0.000 1.116 622 F CA -0.930 56.930 58.000 -0.233 0.000 0.930 622 F CB 2.082 40.814 39.000 -0.446 0.000 1.146 622 F HN 0.833 nan 8.300 nan 0.000 0.447 623 A N 3.256 126.055 122.820 -0.035 0.000 2.340 623 A HA 0.664 5.011 4.320 0.044 0.000 0.268 623 A C -1.492 175.868 177.584 -0.372 0.000 1.100 623 A CA -0.080 51.944 52.037 -0.020 0.000 0.803 623 A CB 0.241 19.324 19.000 0.137 0.000 1.043 623 A HN 0.755 nan 8.150 nan 0.000 0.488 624 Y N -0.496 119.744 120.300 -0.100 0.000 2.605 624 Y HA 0.694 5.270 4.550 0.044 0.000 0.343 624 Y C 0.696 176.361 175.900 -0.391 0.000 1.036 624 Y CA 0.131 58.112 58.100 -0.199 0.000 1.065 624 Y CB 2.763 41.068 38.460 -0.259 0.000 1.288 624 Y HN 1.137 nan 8.280 nan 0.000 0.481 625 G N -0.196 108.572 108.800 -0.054 0.000 2.355 625 G HA2 0.605 4.591 3.960 0.044 0.000 0.296 625 G HA3 0.605 4.591 3.960 0.044 0.000 0.296 625 G C -2.301 172.623 174.900 0.039 0.000 1.507 625 G CA -0.171 44.922 45.100 -0.012 0.000 0.823 625 G HN 0.918 nan 8.290 nan 0.000 0.569 626 A N -0.950 121.897 122.820 0.044 0.000 2.549 626 A HA 1.077 5.423 4.320 0.044 0.000 0.297 626 A C -0.416 177.187 177.584 0.031 0.000 1.061 626 A CA 0.144 52.197 52.037 0.026 0.000 0.690 626 A CB 1.655 20.630 19.000 -0.041 0.000 1.287 626 A HN 2.543 nan 8.150 nan 0.000 0.402 627 A N 1.508 124.342 122.820 0.023 0.000 2.381 627 A HA 0.725 5.071 4.320 0.044 0.000 0.299 627 A C -1.021 176.538 177.584 -0.040 0.000 1.049 627 A CA -0.288 51.743 52.037 -0.009 0.000 0.715 627 A CB 0.668 19.687 19.000 0.031 0.000 1.222 627 A HN 0.766 nan 8.150 nan 0.000 0.428 628 I N 2.397 122.916 120.570 -0.085 0.000 2.330 628 I HA 0.354 4.550 4.170 0.044 0.000 0.289 628 I C -0.151 175.945 176.117 -0.035 0.000 1.001 628 I CA -0.083 61.159 61.300 -0.095 0.000 1.193 628 I CB 1.895 39.790 38.000 -0.175 0.000 1.345 628 I HN 0.557 nan 8.210 nan 0.000 0.461 629 T N 5.545 120.109 114.554 0.016 0.000 2.797 629 T HA 0.298 4.675 4.350 0.044 0.000 0.279 629 T C -0.458 174.258 174.700 0.028 0.000 0.991 629 T CA -0.572 61.544 62.100 0.027 0.000 0.979 629 T CB 1.741 70.667 68.868 0.096 0.000 0.943 629 T HN 0.524 nan 8.240 nan 0.000 0.444 630 E N 2.320 122.516 120.200 -0.007 0.000 2.183 630 E HA 0.642 5.019 4.350 0.044 0.000 0.271 630 E C -0.951 175.610 176.600 -0.065 0.000 0.919 630 E CA -0.802 55.579 56.400 -0.032 0.000 0.781 630 E CB 1.274 30.944 29.700 -0.050 0.000 1.140 630 E HN 0.515 nan 8.360 nan 0.000 0.402 631 V N 0.504 120.368 119.914 -0.083 0.000 3.159 631 V HA 0.742 4.888 4.120 0.044 0.000 0.308 631 V C -0.696 175.325 176.094 -0.120 0.000 1.190 631 V CA -0.927 61.317 62.300 -0.094 0.000 1.037 631 V CB 1.526 33.302 31.823 -0.079 0.000 1.060 631 V HN 0.428 nan 8.190 nan 0.000 0.437 632 V N 1.077 120.927 119.914 -0.107 0.000 2.604 632 V HA 0.823 4.969 4.120 0.044 0.000 0.305 632 V C -0.270 175.796 176.094 -0.046 0.000 1.043 632 V CA -0.598 61.651 62.300 -0.086 0.000 0.888 632 V CB 1.185 32.956 31.823 -0.085 0.000 0.995 632 V HN 1.251 nan 8.190 nan 0.000 0.429 633 I N -0.280 120.278 120.570 -0.019 0.000 2.569 633 I HA 0.769 4.965 4.170 0.044 0.000 0.296 633 I C -0.822 175.300 176.117 0.008 0.000 1.028 633 I CA -0.560 60.726 61.300 -0.022 0.000 1.082 633 I CB 1.992 39.962 38.000 -0.050 0.000 1.264 633 I HN 0.667 nan 8.210 nan 0.000 0.429 634 D N 4.415 124.813 120.400 -0.003 0.000 2.316 634 D HA 0.266 4.932 4.640 0.044 0.000 0.245 634 D C 0.834 177.127 176.300 -0.011 0.000 1.171 634 D CA -0.408 53.595 54.000 0.004 0.000 0.856 634 D CB 1.147 41.947 40.800 -0.001 0.000 1.090 634 D HN 0.497 nan 8.370 nan 0.000 0.476 635 R N 2.906 123.401 120.500 -0.009 0.000 2.237 635 R HA -0.019 4.347 4.340 0.044 0.000 0.219 635 R C 1.425 177.710 176.300 -0.025 0.000 1.080 635 R CA 0.612 56.699 56.100 -0.022 0.000 0.995 635 R CB 0.012 30.299 30.300 -0.022 0.000 0.875 635 R HN 0.594 nan 8.270 nan 0.000 0.462 636 L N -0.598 120.614 121.223 -0.020 0.000 2.102 636 L HA -0.079 4.287 4.340 0.044 0.000 0.202 636 L C 2.395 179.253 176.870 -0.021 0.000 1.076 636 L CA 1.636 56.463 54.840 -0.020 0.000 0.761 636 L CB -0.240 41.809 42.059 -0.017 0.000 0.921 636 L HN 0.251 nan 8.230 nan 0.000 0.444 637 T N -5.280 109.261 114.554 -0.021 0.000 2.990 637 T HA 0.282 4.659 4.350 0.044 0.000 0.249 637 T C 1.394 176.078 174.700 -0.027 0.000 1.039 637 T CA 0.543 62.630 62.100 -0.022 0.000 1.036 637 T CB 1.010 69.867 68.868 -0.019 0.000 0.994 637 T HN 0.394 nan 8.240 nan 0.000 0.489 638 G N 1.403 110.185 108.800 -0.030 0.000 2.175 638 G HA2 -0.214 3.773 3.960 0.044 0.000 0.244 638 G HA3 -0.214 3.773 3.960 0.044 0.000 0.244 638 G C -0.216 174.660 174.900 -0.039 0.000 0.982 638 G CA -0.046 45.031 45.100 -0.038 0.000 0.641 638 G HN 0.661 nan 8.290 nan 0.000 0.527 639 E N 0.701 120.882 120.200 -0.032 0.000 2.442 639 E HA 0.389 4.765 4.350 0.044 0.000 0.262 639 E C 0.517 177.097 176.600 -0.034 0.000 1.004 639 E CA 0.947 57.328 56.400 -0.032 0.000 0.928 639 E CB 0.222 29.908 29.700 -0.024 0.000 0.937 639 E HN 0.813 nan 8.360 nan 0.000 0.446 640 N N 0.952 119.626 118.700 -0.042 0.000 2.710 640 N HA 0.444 5.210 4.740 0.044 0.000 0.257 640 N C -1.470 174.008 175.510 -0.054 0.000 1.327 640 N CA -1.140 51.881 53.050 -0.049 0.000 0.861 640 N CB 1.506 39.956 38.487 -0.062 0.000 1.532 640 N HN 0.433 nan 8.380 nan 0.000 0.499 641 R N 0.278 120.743 120.500 -0.058 0.000 2.739 641 R HA 0.504 4.870 4.340 0.044 0.000 0.271 641 R C -1.602 174.654 176.300 -0.073 0.000 1.010 641 R CA -0.961 55.101 56.100 -0.063 0.000 0.897 641 R CB 1.083 31.352 30.300 -0.052 0.000 1.236 641 R HN 0.572 nan 8.270 nan 0.000 0.466 642 I N 3.642 124.167 120.570 -0.076 0.000 2.308 642 I HA 0.063 4.259 4.170 0.044 0.000 0.293 642 I C 1.327 177.393 176.117 -0.086 0.000 1.078 642 I CA -0.365 60.889 61.300 -0.076 0.000 1.292 642 I CB 0.940 38.897 38.000 -0.070 0.000 1.423 642 I HN 0.558 nan 8.210 nan 0.000 0.493 643 L N 5.506 126.675 121.223 -0.089 0.000 2.023 643 L HA 0.067 4.433 4.340 0.044 0.000 0.205 643 L C 1.234 178.051 176.870 -0.089 0.000 1.073 643 L CA 1.141 55.925 54.840 -0.092 0.000 0.745 643 L CB -0.161 41.828 42.059 -0.117 0.000 0.900 643 L HN 0.572 nan 8.230 nan 0.000 0.435 644 R N -0.941 119.505 120.500 -0.091 0.000 2.626 644 R HA 0.401 4.768 4.340 0.044 0.000 0.274 644 R C -1.672 174.562 176.300 -0.110 0.000 1.031 644 R CA -0.363 55.683 56.100 -0.090 0.000 0.898 644 R CB 2.078 32.345 30.300 -0.056 0.000 1.222 644 R HN -0.186 nan 8.270 nan 0.000 0.455 645 T N 2.569 117.022 114.554 -0.168 0.000 2.886 645 T HA 0.357 4.733 4.350 0.044 0.000 0.292 645 T C -1.619 173.013 174.700 -0.114 0.000 1.012 645 T CA -0.683 61.280 62.100 -0.228 0.000 0.982 645 T CB 1.651 70.163 68.868 -0.594 0.000 1.018 645 T HN 0.537 nan 8.240 nan 0.000 0.451 646 D N 1.843 122.190 120.400 -0.088 0.000 2.502 646 D HA 0.608 5.275 4.640 0.044 0.000 0.249 646 D C -0.666 175.606 176.300 -0.048 0.000 1.092 646 D CA -0.340 53.643 54.000 -0.030 0.000 0.839 646 D CB 1.584 42.380 40.800 -0.006 0.000 1.264 646 D HN 0.353 nan 8.370 nan 0.000 0.511 647 I N 2.106 122.670 120.570 -0.010 0.000 2.466 647 I HA 0.302 4.498 4.170 0.044 0.000 0.289 647 I C -1.269 174.882 176.117 0.055 0.000 1.026 647 I CA -0.996 60.309 61.300 0.008 0.000 1.078 647 I CB 1.810 39.811 38.000 0.002 0.000 1.249 647 I HN 0.143 nan 8.210 nan 0.000 0.429 648 L N 7.534 128.802 121.223 0.075 0.000 2.384 648 L HA 0.450 4.816 4.340 0.044 0.000 0.261 648 L C -0.872 176.086 176.870 0.145 0.000 1.024 648 L CA -0.146 54.766 54.840 0.119 0.000 0.899 648 L CB 0.345 42.473 42.059 0.115 0.000 1.243 648 L HN 0.504 nan 8.230 nan 0.000 0.449 649 H N 1.495 120.617 119.070 0.087 0.000 2.499 649 H HA 0.483 5.066 4.556 0.044 0.000 0.340 649 H C -1.086 174.338 175.328 0.160 0.000 1.148 649 H CA -0.498 55.604 56.048 0.091 0.000 1.215 649 H CB 1.457 31.262 29.762 0.072 0.000 1.529 649 H HN 0.675 nan 8.280 nan 0.000 0.510 650 D N 2.722 122.919 120.400 -0.337 0.000 2.317 650 D HA 0.361 5.027 4.640 0.044 0.000 0.234 650 D C -0.437 175.853 176.300 -0.017 0.000 1.112 650 D CA -0.368 53.619 54.000 -0.021 0.000 0.840 650 D CB 0.973 41.788 40.800 0.025 0.000 1.078 650 D HN 0.594 nan 8.370 nan 0.000 0.486 651 A N 3.447 126.349 122.820 0.138 0.000 2.594 651 A HA 0.652 4.998 4.320 0.044 0.000 0.287 651 A C 1.339 178.979 177.584 0.094 0.000 1.227 651 A CA 0.289 52.412 52.037 0.144 0.000 0.952 651 A CB -0.549 18.547 19.000 0.160 0.000 1.161 651 A HN 1.009 nan 8.150 nan 0.000 0.524 652 G N 0.385 109.244 108.800 0.098 0.000 2.591 652 G HA2 0.043 4.030 3.960 0.044 0.000 0.298 652 G HA3 0.043 4.030 3.960 0.044 0.000 0.298 652 G C 0.725 175.640 174.900 0.026 0.000 1.195 652 G CA 0.189 45.319 45.100 0.050 0.000 0.989 652 G HN 1.839 nan 8.290 nan 0.000 0.551 653 A N -0.087 122.735 122.820 0.003 0.000 3.095 653 A HA 0.731 5.078 4.320 0.044 0.000 0.301 653 A C 0.790 178.379 177.584 0.010 0.000 1.432 653 A CA 1.442 53.480 52.037 0.002 0.000 1.140 653 A CB -0.235 18.769 19.000 0.008 0.000 1.174 653 A HN 2.234 nan 8.150 nan 0.000 0.546 654 S N 0.749 116.456 115.700 0.012 0.000 2.952 654 S HA -0.058 4.438 4.470 0.044 0.000 0.351 654 S C 1.329 175.922 174.600 -0.012 0.000 1.211 654 S CA 0.149 58.356 58.200 0.012 0.000 1.002 654 S CB -0.127 63.082 63.200 0.015 0.000 0.702 654 S HN 0.565 nan 8.310 nan 0.000 0.495 655 L N 3.546 124.762 121.223 -0.012 0.000 2.217 655 L HA 0.115 4.482 4.340 0.044 0.000 0.211 655 L C 1.269 178.100 176.870 -0.064 0.000 1.107 655 L CA 0.572 55.383 54.840 -0.049 0.000 0.783 655 L CB -0.138 41.901 42.059 -0.033 0.000 0.919 655 L HN 0.641 nan 8.230 nan 0.000 0.442 656 N N -1.293 117.386 118.700 -0.035 0.000 2.747 656 N HA 0.127 4.894 4.740 0.044 0.000 0.262 656 N C -2.337 173.166 175.510 -0.011 0.000 1.261 656 N CA -0.978 52.053 53.050 -0.031 0.000 0.809 656 N CB 1.597 40.066 38.487 -0.030 0.000 1.450 656 N HN -0.291 nan 8.380 nan 0.000 0.560 657 P HA -0.119 nan 4.420 nan 0.000 0.216 657 P C 1.153 178.453 177.300 -0.001 0.000 1.153 657 P CA 1.645 64.743 63.100 -0.003 0.000 0.858 657 P CB 0.377 32.070 31.700 -0.012 0.000 0.789 658 A N -0.260 122.558 122.820 -0.004 0.000 1.851 658 A HA -0.211 4.135 4.320 0.044 0.000 0.216 658 A C 2.272 179.862 177.584 0.010 0.000 1.195 658 A CA 1.861 53.899 52.037 0.001 0.000 0.622 658 A CB -1.750 17.253 19.000 0.005 0.000 0.831 658 A HN 0.104 nan 8.150 nan 0.000 0.444 659 L N -0.737 120.498 121.223 0.020 0.000 2.079 659 L HA -0.232 4.135 4.340 0.044 0.000 0.210 659 L C 2.188 179.076 176.870 0.029 0.000 1.081 659 L CA 1.645 56.507 54.840 0.037 0.000 0.752 659 L CB -0.831 41.250 42.059 0.037 0.000 0.896 659 L HN 0.331 nan 8.230 nan 0.000 0.433 660 D N 0.064 120.478 120.400 0.023 0.000 2.097 660 D HA -0.137 4.529 4.640 0.044 0.000 0.197 660 D C 2.283 178.593 176.300 0.017 0.000 0.984 660 D CA 0.946 54.965 54.000 0.030 0.000 0.826 660 D CB -0.002 40.825 40.800 0.045 0.000 0.973 660 D HN 0.107 nan 8.370 nan 0.000 0.460 661 I N 0.928 121.498 120.570 0.001 0.000 2.208 661 I HA -0.165 4.032 4.170 0.044 0.000 0.245 661 I C 2.457 178.538 176.117 -0.059 0.000 1.097 661 I CA 1.286 62.565 61.300 -0.035 0.000 1.363 661 I CB -1.450 36.520 38.000 -0.050 0.000 1.051 661 I HN 0.018 nan 8.210 nan 0.000 0.413 662 G N 0.339 109.121 108.800 -0.030 0.000 2.446 662 G HA2 -0.256 3.731 3.960 0.044 0.000 0.217 662 G HA3 -0.256 3.731 3.960 0.044 0.000 0.217 662 G C 1.525 176.430 174.900 0.007 0.000 1.168 662 G CA 0.349 45.438 45.100 -0.017 0.000 0.771 662 G HN 0.338 nan 8.290 nan 0.000 0.551 663 Q N 0.198 120.011 119.800 0.021 0.000 2.084 663 Q HA -0.021 4.346 4.340 0.044 0.000 0.202 663 Q C 2.754 178.765 176.000 0.019 0.000 0.978 663 Q CA 0.907 56.732 55.803 0.036 0.000 0.844 663 Q CB -0.329 28.425 28.738 0.027 0.000 0.898 663 Q HN 0.607 nan 8.270 nan 0.000 0.426 664 I N 0.736 121.287 120.570 -0.030 0.000 2.179 664 I HA -0.261 3.935 4.170 0.044 0.000 0.242 664 I C 2.255 178.385 176.117 0.022 0.000 1.088 664 I CA 1.116 62.379 61.300 -0.061 0.000 1.357 664 I CB -0.260 37.685 38.000 -0.092 0.000 1.051 664 I HN 0.220 nan 8.210 nan 0.000 0.409 665 E N 0.784 120.955 120.200 -0.050 0.000 2.038 665 E HA -0.205 4.171 4.350 0.044 0.000 0.195 665 E C 2.318 179.028 176.600 0.183 0.000 1.000 665 E CA 1.428 57.781 56.400 -0.080 0.000 0.803 665 E CB -0.399 29.121 29.700 -0.299 0.000 0.750 665 E HN 0.605 nan 8.360 nan 0.000 0.448 666 G N 0.767 109.644 108.800 0.129 0.000 2.408 666 G HA2 -0.203 3.784 3.960 0.044 0.000 0.217 666 G HA3 -0.203 3.784 3.960 0.044 0.000 0.217 666 G C 1.667 176.687 174.900 0.200 0.000 1.150 666 G CA 0.785 45.989 45.100 0.174 0.000 0.776 666 G HN 0.343 nan 8.290 nan 0.000 0.542 667 A N 0.071 123.007 122.820 0.192 0.000 1.902 667 A HA -0.063 4.284 4.320 0.044 0.000 0.217 667 A C 2.191 179.842 177.584 0.112 0.000 1.181 667 A CA 1.743 53.903 52.037 0.206 0.000 0.623 667 A CB -0.674 18.412 19.000 0.143 0.000 0.818 667 A HN 0.494 nan 8.150 nan 0.000 0.443 668 Y N 0.469 120.791 120.300 0.036 0.000 2.145 668 Y HA -0.160 4.416 4.550 0.044 0.000 0.286 668 Y C 2.337 178.210 175.900 -0.046 0.000 1.145 668 Y CA 1.963 60.060 58.100 -0.005 0.000 1.148 668 Y CB -0.404 38.135 38.460 0.132 0.000 0.981 668 Y HN 0.051 nan 8.280 nan 0.000 0.507 669 V N 0.799 120.744 119.914 0.051 0.000 2.343 669 V HA -0.347 3.799 4.120 0.044 0.000 0.247 669 V C 2.399 178.400 176.094 -0.155 0.000 1.051 669 V CA 2.393 64.649 62.300 -0.075 0.000 1.036 669 V CB -0.744 31.138 31.823 0.098 0.000 0.654 669 V HN 0.514 nan 8.190 nan 0.000 0.451 670 Q N -0.289 119.471 119.800 -0.068 0.000 2.123 670 Q HA -0.097 4.270 4.340 0.044 0.000 0.199 670 Q C 2.222 178.093 176.000 -0.216 0.000 0.966 670 Q CA 1.627 57.420 55.803 -0.017 0.000 0.845 670 Q CB -0.336 28.509 28.738 0.179 0.000 0.907 670 Q HN 0.658 nan 8.270 nan 0.000 0.439 671 G N 0.317 108.736 108.800 -0.636 0.000 2.414 671 G HA2 -0.245 3.742 3.960 0.044 0.000 0.215 671 G HA3 -0.245 3.742 3.960 0.044 0.000 0.215 671 G C 1.446 176.014 174.900 -0.554 0.000 1.188 671 G CA 0.808 45.188 45.100 -1.200 0.000 0.783 671 G HN 0.473 nan 8.290 nan 0.000 0.537 672 A N 0.941 123.408 122.820 -0.589 0.000 1.908 672 A HA 0.107 4.453 4.320 0.044 0.000 0.218 672 A C 2.728 180.148 177.584 -0.274 0.000 1.181 672 A CA 2.227 53.982 52.037 -0.471 0.000 0.627 672 A CB -1.211 17.372 19.000 -0.696 0.000 0.818 672 A HN 0.597 nan 8.150 nan 0.000 0.445 673 G N -1.466 107.195 108.800 -0.232 0.000 2.469 673 G HA2 -0.325 3.661 3.960 0.044 0.000 0.219 673 G HA3 -0.325 3.661 3.960 0.044 0.000 0.219 673 G C 1.357 176.223 174.900 -0.056 0.000 1.150 673 G CA 1.216 46.234 45.100 -0.136 0.000 0.763 673 G HN 0.759 nan 8.290 nan 0.000 0.561 674 W N 1.005 122.180 121.300 -0.208 0.000 2.350 674 W HA 0.080 4.767 4.660 0.045 0.000 0.289 674 W C 1.635 178.068 176.519 -0.143 0.000 1.215 674 W CA 0.924 58.179 57.345 -0.150 0.000 1.236 674 W CB -0.150 29.244 29.460 -0.110 0.000 1.130 674 W HN 0.131 nan 8.180 nan 0.000 0.541 675 L N 0.546 121.550 121.223 -0.364 0.000 2.640 675 L HA 0.158 4.524 4.340 0.044 0.000 0.230 675 L C 1.939 178.709 176.870 -0.165 0.000 1.123 675 L CA 0.877 55.418 54.840 -0.499 0.000 0.900 675 L CB -0.452 41.283 42.059 -0.540 0.000 1.146 675 L HN 0.045 nan 8.230 nan 0.000 0.484 676 T N -5.420 109.048 114.554 -0.144 0.000 3.518 676 T HA -0.018 4.358 4.350 0.044 0.000 0.211 676 T C 1.608 176.238 174.700 -0.116 0.000 0.940 676 T CA 0.798 62.840 62.100 -0.097 0.000 1.307 676 T CB -0.347 68.459 68.868 -0.105 0.000 1.392 676 T HN 0.084 nan 8.240 nan 0.000 0.382 677 T N -0.095 114.370 114.554 -0.148 0.000 3.051 677 T HA 0.259 4.636 4.350 0.044 0.000 0.255 677 T C 0.606 175.149 174.700 -0.263 0.000 1.085 677 T CA -0.065 61.928 62.100 -0.178 0.000 1.109 677 T CB -0.470 68.290 68.868 -0.180 0.000 0.921 677 T HN 0.510 nan 8.240 nan 0.000 0.488 678 E N 1.995 122.019 120.200 -0.294 0.000 2.217 678 E HA 0.335 4.711 4.350 0.044 0.000 0.279 678 E C -0.377 176.075 176.600 -0.246 0.000 1.068 678 E CA 0.014 56.121 56.400 -0.488 0.000 0.882 678 E CB 0.637 30.154 29.700 -0.305 0.000 1.039 678 E HN 0.521 nan 8.360 nan 0.000 0.418 679 E N 4.066 124.115 120.200 -0.253 0.000 2.290 679 E HA 0.256 4.632 4.350 0.044 0.000 0.274 679 E C -1.466 175.208 176.600 0.123 0.000 0.889 679 E CA -0.610 55.785 56.400 -0.007 0.000 0.760 679 E CB 1.168 30.840 29.700 -0.047 0.000 1.206 679 E HN 0.374 nan 8.360 nan 0.000 0.419 680 L N 4.001 125.289 121.223 0.109 0.000 2.272 680 L HA 0.491 4.857 4.340 0.044 0.000 0.289 680 L C -0.780 175.959 176.870 -0.217 0.000 1.032 680 L CA -0.876 53.901 54.840 -0.105 0.000 0.810 680 L CB 1.571 43.492 42.059 -0.230 0.000 1.205 680 L HN 0.303 nan 8.230 nan 0.000 0.422 681 V N 2.533 122.271 119.914 -0.293 0.000 2.409 681 V HA 0.418 4.564 4.120 0.044 0.000 0.291 681 V C -0.546 175.397 176.094 -0.251 0.000 1.020 681 V CA -0.616 61.601 62.300 -0.139 0.000 0.848 681 V CB 1.784 33.593 31.823 -0.023 0.000 0.990 681 V HN 0.604 nan 8.190 nan 0.000 0.430 682 W N 2.878 124.220 121.300 0.071 0.000 2.516 682 W HA 0.430 5.116 4.660 0.043 0.000 0.343 682 W C 0.054 176.605 176.519 0.054 0.000 1.094 682 W CA -0.439 56.939 57.345 0.055 0.000 1.250 682 W CB 2.069 31.556 29.460 0.046 0.000 1.308 682 W HN 0.744 nan 8.180 nan 0.000 0.588 683 D N -0.353 120.194 120.400 0.245 0.000 2.507 683 D HA -0.040 4.626 4.640 0.044 0.000 0.280 683 D C 1.534 177.928 176.300 0.156 0.000 1.219 683 D CA 0.085 54.192 54.000 0.179 0.000 1.085 683 D CB -0.249 40.612 40.800 0.101 0.000 1.134 683 D HN 0.504 nan 8.370 nan 0.000 0.583 684 H N -1.277 117.842 119.070 0.082 0.000 2.521 684 H HA -0.008 4.574 4.556 0.044 0.000 0.286 684 H C 1.081 176.434 175.328 0.040 0.000 1.034 684 H CA 0.690 56.770 56.048 0.054 0.000 1.278 684 H CB -0.929 28.854 29.762 0.035 0.000 1.386 684 H HN 0.276 nan 8.280 nan 0.000 0.567 685 C N 0.714 119.833 119.300 -0.302 0.000 2.754 685 C HA 0.471 4.957 4.460 0.044 0.000 0.276 685 C C 1.958 176.902 174.990 -0.077 0.000 1.264 685 C CA 0.171 59.067 59.018 -0.204 0.000 1.700 685 C CB -0.574 26.989 27.740 -0.295 0.000 1.885 685 C HN 0.859 nan 8.230 nan 0.000 0.607 686 G N 1.485 110.290 108.800 0.008 0.000 2.168 686 G HA2 -0.264 3.722 3.960 0.044 0.000 0.263 686 G HA3 -0.264 3.722 3.960 0.044 0.000 0.263 686 G C 0.096 175.152 174.900 0.260 0.000 0.977 686 G CA -0.210 44.938 45.100 0.081 0.000 0.659 686 G HN 0.649 nan 8.290 nan 0.000 0.533 687 R N -0.417 120.177 120.500 0.158 0.000 2.389 687 R HA 0.416 4.782 4.340 0.044 0.000 0.295 687 R C 0.385 176.796 176.300 0.186 0.000 1.075 687 R CA -0.703 55.474 56.100 0.128 0.000 1.005 687 R CB 0.847 31.137 30.300 -0.017 0.000 0.987 687 R HN 0.223 nan 8.270 nan 0.000 0.452 688 L N 4.513 125.803 121.223 0.111 0.000 2.456 688 L HA 0.009 4.375 4.340 0.044 0.000 0.277 688 L C 0.886 177.724 176.870 -0.054 0.000 1.124 688 L CA 0.507 55.245 54.840 -0.171 0.000 0.880 688 L CB 0.619 42.580 42.059 -0.163 0.000 1.192 688 L HN 0.707 nan 8.230 nan 0.000 0.463 689 M N 1.930 121.492 119.600 -0.063 0.000 2.236 689 M HA 0.026 4.532 4.480 0.044 0.000 0.266 689 M C 1.010 177.365 176.300 0.092 0.000 1.070 689 M CA 0.844 56.182 55.300 0.062 0.000 1.137 689 M CB -1.185 31.434 32.600 0.030 0.000 1.378 689 M HN 0.710 nan 8.290 nan 0.000 0.426 690 T N -0.170 114.368 114.554 -0.027 0.000 3.176 690 T HA 0.200 4.577 4.350 0.044 0.000 0.301 690 T C 0.466 175.168 174.700 0.004 0.000 1.115 690 T CA -0.497 61.595 62.100 -0.014 0.000 1.027 690 T CB -0.706 68.177 68.868 0.024 0.000 1.063 690 T HN 0.499 nan 8.240 nan 0.000 0.669 691 H N 0.954 120.010 119.070 -0.025 0.000 2.767 691 H HA 0.650 5.232 4.556 0.043 0.000 0.260 691 H C -0.257 175.092 175.328 0.035 0.000 1.172 691 H CA -0.658 55.376 56.048 -0.024 0.000 1.048 691 H CB -0.131 29.610 29.762 -0.035 0.000 1.697 691 H HN 0.687 nan 8.280 nan 0.000 0.606 692 A N 1.627 124.348 122.820 -0.164 0.000 2.594 692 A HA 0.512 4.858 4.320 0.044 0.000 0.291 692 A C -2.375 175.268 177.584 0.098 0.000 1.105 692 A CA -1.480 50.532 52.037 -0.041 0.000 0.694 692 A CB 1.653 20.540 19.000 -0.188 0.000 1.291 692 A HN -0.016 nan 8.150 nan 0.000 0.410 693 P HA -0.030 nan 4.420 nan 0.000 0.237 693 P C 1.031 178.327 177.300 -0.006 0.000 1.178 693 P CA 1.592 64.748 63.100 0.092 0.000 0.766 693 P CB 0.050 31.844 31.700 0.157 0.000 0.876 694 S N -2.075 113.620 115.700 -0.008 0.000 2.558 694 S HA 0.028 4.525 4.470 0.044 0.000 0.217 694 S C 1.305 175.876 174.600 -0.050 0.000 0.975 694 S CA 0.924 59.103 58.200 -0.035 0.000 0.912 694 S CB -1.132 62.049 63.200 -0.032 0.000 0.776 694 S HN 0.251 nan 8.310 nan 0.000 0.526 695 T N -3.184 111.343 114.554 -0.045 0.000 2.966 695 T HA 0.271 4.648 4.350 0.044 0.000 0.254 695 T C -0.199 174.503 174.700 0.004 0.000 0.961 695 T CA -0.306 61.771 62.100 -0.040 0.000 0.915 695 T CB -0.375 68.453 68.868 -0.067 0.000 1.186 695 T HN 0.336 nan 8.240 nan 0.000 0.505 696 Y N 2.783 123.021 120.300 -0.102 0.000 2.342 696 Y HA 0.582 5.159 4.550 0.044 0.000 0.338 696 Y C -0.860 174.947 175.900 -0.155 0.000 0.965 696 Y CA -1.226 56.813 58.100 -0.102 0.000 1.159 696 Y CB 0.859 39.284 38.460 -0.058 0.000 1.157 696 Y HN -0.241 nan 8.280 nan 0.000 0.486 697 K N 8.777 128.849 120.400 -0.547 0.000 2.357 697 K HA 0.266 4.612 4.320 0.044 0.000 0.251 697 K C -0.383 175.944 176.600 -0.455 0.000 1.069 697 K CA -0.387 55.659 56.287 -0.401 0.000 0.994 697 K CB -0.008 32.334 32.500 -0.264 0.000 1.411 697 K HN 0.826 nan 8.250 nan 0.000 0.450 698 I N -0.669 119.665 120.570 -0.393 0.000 2.823 698 I HA 0.355 4.551 4.170 0.044 0.000 0.290 698 I C -1.924 174.074 176.117 -0.199 0.000 1.091 698 I CA -2.262 58.874 61.300 -0.274 0.000 1.365 698 I CB 0.093 37.945 38.000 -0.248 0.000 1.427 698 I HN 0.172 nan 8.210 nan 0.000 0.583 699 P HA 0.099 nan 4.420 nan 0.000 0.260 699 P C -0.562 176.691 177.300 -0.077 0.000 1.185 699 P CA 0.172 63.207 63.100 -0.109 0.000 0.763 699 P CB 0.474 32.116 31.700 -0.097 0.000 0.776 700 A N 3.167 125.955 122.820 -0.053 0.000 2.257 700 A HA 0.317 4.664 4.320 0.044 0.000 0.289 700 A C 1.040 178.660 177.584 0.060 0.000 1.095 700 A CA -0.502 51.540 52.037 0.008 0.000 0.836 700 A CB -0.172 18.834 19.000 0.010 0.000 1.111 700 A HN 0.542 nan 8.150 nan 0.000 0.497 701 F N 1.210 121.154 119.950 -0.010 0.000 2.087 701 F HA -0.291 4.262 4.527 0.043 0.000 0.299 701 F C 2.667 178.473 175.800 0.009 0.000 1.100 701 F CA 3.001 61.007 58.000 0.010 0.000 1.226 701 F CB 0.003 39.011 39.000 0.014 0.000 0.983 701 F HN 0.548 nan 8.300 nan 0.000 0.479 702 S N -1.105 114.752 115.700 0.261 0.000 2.515 702 S HA -0.133 4.364 4.470 0.044 0.000 0.231 702 S C 1.404 176.027 174.600 0.039 0.000 0.987 702 S CA 1.043 59.341 58.200 0.163 0.000 0.936 702 S CB -0.503 62.769 63.200 0.121 0.000 0.766 702 S HN 0.396 nan 8.310 nan 0.000 0.528 703 D N 2.288 122.685 120.400 -0.005 0.000 2.312 703 D HA -0.008 4.659 4.640 0.044 0.000 0.211 703 D C 1.015 177.267 176.300 -0.081 0.000 0.964 703 D CA 0.351 54.321 54.000 -0.051 0.000 0.877 703 D CB -0.309 40.450 40.800 -0.068 0.000 0.924 703 D HN 0.735 nan 8.370 nan 0.000 0.515 704 R N 1.246 121.691 120.500 -0.092 0.000 2.640 704 R HA 0.191 4.557 4.340 0.044 0.000 0.270 704 R C -2.527 173.694 176.300 -0.131 0.000 1.024 704 R CA -1.014 55.020 56.100 -0.111 0.000 1.085 704 R CB -0.703 29.533 30.300 -0.106 0.000 0.963 704 R HN -0.186 nan 8.270 nan 0.000 0.426 705 P HA -0.034 nan 4.420 nan 0.000 0.262 705 P C 0.071 177.303 177.300 -0.112 0.000 1.182 705 P CA -0.126 62.825 63.100 -0.248 0.000 0.761 705 P CB 0.583 31.962 31.700 -0.535 0.000 0.795 706 R N 2.787 123.248 120.500 -0.065 0.000 2.091 706 R HA -0.031 4.335 4.340 0.044 0.000 0.238 706 R C 0.731 177.037 176.300 0.011 0.000 1.136 706 R CA 1.324 57.416 56.100 -0.014 0.000 0.959 706 R CB -0.518 29.771 30.300 -0.018 0.000 0.856 706 R HN 0.518 nan 8.270 nan 0.000 0.437 707 I N 0.621 121.186 120.570 -0.008 0.000 2.354 707 I HA 0.235 4.432 4.170 0.044 0.000 0.286 707 I C -0.690 175.462 176.117 0.058 0.000 1.007 707 I CA -0.369 60.950 61.300 0.031 0.000 1.167 707 I CB 1.257 39.264 38.000 0.011 0.000 1.320 707 I HN -0.130 nan 8.210 nan 0.000 0.458 708 F N 6.565 126.488 119.950 -0.045 0.000 2.382 708 F HA 0.443 4.996 4.527 0.044 0.000 0.361 708 F C -0.353 175.408 175.800 -0.065 0.000 1.109 708 F CA -0.918 57.039 58.000 -0.072 0.000 1.031 708 F CB 0.850 39.814 39.000 -0.059 0.000 1.234 708 F HN 0.474 nan 8.300 nan 0.000 0.445 709 N N 5.698 124.554 118.700 0.259 0.000 2.443 709 N HA 0.357 5.123 4.740 0.044 0.000 0.269 709 N C -1.223 174.315 175.510 0.046 0.000 0.985 709 N CA -0.340 52.763 53.050 0.089 0.000 0.921 709 N CB 2.594 41.116 38.487 0.058 0.000 1.195 709 N HN 0.191 nan 8.380 nan 0.000 0.492 710 V N 1.061 120.948 119.914 -0.046 0.000 2.444 710 V HA 0.778 4.925 4.120 0.044 0.000 0.294 710 V C -0.273 175.812 176.094 -0.015 0.000 1.022 710 V CA -0.812 61.457 62.300 -0.052 0.000 0.850 710 V CB 1.440 33.169 31.823 -0.158 0.000 0.992 710 V HN 0.758 nan 8.190 nan 0.000 0.426 711 A N 5.438 128.277 122.820 0.033 0.000 2.371 711 A HA 0.892 5.238 4.320 0.044 0.000 0.311 711 A C -0.993 176.650 177.584 0.098 0.000 1.068 711 A CA -0.623 51.445 52.037 0.052 0.000 0.744 711 A CB 1.218 20.253 19.000 0.058 0.000 1.239 711 A HN 0.791 nan 8.150 nan 0.000 0.435 712 L N 2.547 123.823 121.223 0.088 0.000 2.290 712 L HA 0.220 4.587 4.340 0.044 0.000 0.284 712 L C 0.015 176.975 176.870 0.151 0.000 1.078 712 L CA -0.369 54.547 54.840 0.127 0.000 0.815 712 L CB 0.958 43.067 42.059 0.082 0.000 1.162 712 L HN 0.807 nan 8.230 nan 0.000 0.435 713 W N 5.260 126.564 121.300 0.007 0.000 2.585 713 W HA 0.076 4.762 4.660 0.043 0.000 0.337 713 W C -0.657 175.854 176.519 -0.012 0.000 1.226 713 W CA -0.336 57.002 57.345 -0.012 0.000 1.463 713 W CB 0.826 30.268 29.460 -0.029 0.000 1.458 713 W HN 0.530 nan 8.180 nan 0.000 0.458 714 D N 5.107 125.330 120.400 -0.295 0.000 2.456 714 D HA 0.180 4.846 4.640 0.044 0.000 0.219 714 D C -0.703 175.417 176.300 -0.300 0.000 1.126 714 D CA 0.363 54.239 54.000 -0.206 0.000 0.890 714 D CB 0.493 41.207 40.800 -0.145 0.000 1.025 714 D HN 0.343 nan 8.370 nan 0.000 0.511 715 Q N 2.997 122.693 119.800 -0.173 0.000 2.268 715 Q HA 0.318 4.684 4.340 0.044 0.000 0.266 715 Q C -2.527 173.465 176.000 -0.014 0.000 1.006 715 Q CA -2.032 53.701 55.803 -0.116 0.000 0.824 715 Q CB 2.578 31.261 28.738 -0.092 0.000 1.306 715 Q HN 0.264 nan 8.270 nan 0.000 0.424 716 P HA -0.085 nan 4.420 nan 0.000 0.267 716 P C -0.521 176.768 177.300 -0.017 0.000 1.200 716 P CA -0.087 63.002 63.100 -0.018 0.000 0.772 716 P CB 0.525 32.214 31.700 -0.019 0.000 0.855 717 N N 2.178 120.841 118.700 -0.061 0.000 2.492 717 N HA -0.001 4.765 4.740 0.044 0.000 0.262 717 N C 1.267 176.735 175.510 -0.070 0.000 1.202 717 N CA 0.277 53.257 53.050 -0.116 0.000 0.926 717 N CB 0.348 38.664 38.487 -0.285 0.000 1.078 717 N HN 0.233 nan 8.380 nan 0.000 0.454 718 R N 1.102 121.582 120.500 -0.033 0.000 2.081 718 R HA -0.048 4.318 4.340 0.044 0.000 0.235 718 R C 0.042 176.333 176.300 -0.016 0.000 1.131 718 R CA 0.981 57.080 56.100 -0.003 0.000 0.960 718 R CB 0.015 30.337 30.300 0.038 0.000 0.856 718 R HN 0.639 nan 8.270 nan 0.000 0.436 719 E N 1.340 121.519 120.200 -0.036 0.000 2.390 719 E HA -0.008 4.369 4.350 0.044 0.000 0.261 719 E C -0.483 176.085 176.600 -0.054 0.000 1.076 719 E CA 0.214 56.603 56.400 -0.018 0.000 0.905 719 E CB 0.646 30.368 29.700 0.037 0.000 0.984 719 E HN 0.210 nan 8.360 nan 0.000 0.427 720 E N 1.551 121.741 120.200 -0.017 0.000 1.972 720 E HA 0.058 4.434 4.350 0.044 0.000 0.292 720 E C 0.007 176.575 176.600 -0.053 0.000 1.193 720 E CA -0.160 56.218 56.400 -0.038 0.000 1.228 720 E CB -0.154 29.535 29.700 -0.017 0.000 1.167 720 E HN 0.392 nan 8.360 nan 0.000 0.479 721 T N -1.413 113.083 114.554 -0.096 0.000 2.824 721 T HA 0.251 4.627 4.350 0.044 0.000 0.277 721 T C 0.530 175.139 174.700 -0.151 0.000 0.975 721 T CA -0.973 61.059 62.100 -0.113 0.000 0.966 721 T CB 1.010 69.801 68.868 -0.129 0.000 1.054 721 T HN 0.158 nan 8.240 nan 0.000 0.533 722 I N 1.842 122.314 120.570 -0.164 0.000 2.792 722 I HA 0.144 4.341 4.170 0.044 0.000 0.284 722 I C -0.166 175.964 176.117 0.021 0.000 1.166 722 I CA -0.656 60.556 61.300 -0.147 0.000 1.375 722 I CB -1.795 36.148 38.000 -0.094 0.000 1.421 722 I HN 0.711 nan 8.210 nan 0.000 0.544 723 F N 6.811 126.708 119.950 -0.089 0.000 3.048 723 F HA -0.314 4.239 4.527 0.043 0.000 0.269 723 F C 1.164 176.921 175.800 -0.073 0.000 0.960 723 F CA 0.729 58.687 58.000 -0.070 0.000 0.909 723 F CB -1.180 37.783 39.000 -0.062 0.000 0.837 723 F HN 0.643 nan 8.300 nan 0.000 0.768 724 R N -2.148 118.354 120.500 0.003 0.000 3.847 724 R HA -0.224 4.142 4.340 0.044 0.000 0.304 724 R C 0.605 176.876 176.300 -0.048 0.000 1.203 724 R CA 1.056 57.133 56.100 -0.039 0.000 0.835 724 R CB -2.499 27.790 30.300 -0.019 0.000 1.253 724 R HN 0.636 nan 8.270 nan 0.000 0.516 725 S N -0.266 115.420 115.700 -0.023 0.000 2.632 725 S HA 0.572 5.068 4.470 0.044 0.000 0.267 725 S C 0.324 174.870 174.600 -0.090 0.000 1.276 725 S CA -0.622 57.566 58.200 -0.021 0.000 0.998 725 S CB 2.293 65.508 63.200 0.024 0.000 0.953 725 S HN 0.162 nan 8.310 nan 0.000 0.547 726 K N 0.143 120.527 120.400 -0.027 0.000 2.267 726 K HA 0.634 4.980 4.320 0.044 0.000 0.246 726 K C -0.350 176.356 176.600 0.176 0.000 0.954 726 K CA -0.876 55.430 56.287 0.032 0.000 0.824 726 K CB 1.982 34.525 32.500 0.072 0.000 1.167 726 K HN 0.820 nan 8.250 nan 0.000 0.431 727 A N 1.175 124.185 122.820 0.317 0.000 2.477 727 A HA 0.131 4.478 4.320 0.044 0.000 0.246 727 A C 0.474 178.163 177.584 0.174 0.000 1.078 727 A CA -0.072 52.080 52.037 0.193 0.000 0.770 727 A CB 0.438 19.523 19.000 0.141 0.000 1.011 727 A HN 0.504 nan 8.150 nan 0.000 0.494 728 V N 2.954 122.936 119.914 0.114 0.000 3.337 728 V HA 0.229 4.375 4.120 0.044 0.000 0.307 728 V C 1.577 177.680 176.094 0.014 0.000 1.505 728 V CA 1.008 63.375 62.300 0.113 0.000 1.072 728 V CB -0.021 31.880 31.823 0.130 0.000 0.929 728 V HN 1.096 nan 8.190 nan 0.000 0.455 729 G N 0.284 109.080 108.800 -0.006 0.000 2.453 729 G HA2 -0.177 3.809 3.960 0.044 0.000 0.215 729 G HA3 -0.177 3.809 3.960 0.044 0.000 0.215 729 G C 1.197 176.055 174.900 -0.069 0.000 1.201 729 G CA 1.370 46.451 45.100 -0.032 0.000 0.784 729 G HN 0.581 nan 8.290 nan 0.000 0.545 730 E N 0.199 120.297 120.200 -0.171 0.000 2.244 730 E HA 0.034 4.411 4.350 0.044 0.000 0.196 730 E C -0.302 175.974 176.600 -0.540 0.000 0.939 730 E CA -0.076 56.121 56.400 -0.339 0.000 0.884 730 E CB 0.094 29.524 29.700 -0.451 0.000 0.850 730 E HN 0.245 nan 8.360 nan 0.000 0.481 731 P HA -0.183 nan 4.420 nan 0.000 0.218 731 P C -1.653 175.541 177.300 -0.176 0.000 1.154 731 P CA 2.063 64.883 63.100 -0.466 0.000 0.872 731 P CB -0.921 30.810 31.700 0.052 0.000 0.790 732 P HA -0.095 nan 4.420 nan 0.000 0.236 732 P C 1.401 178.685 177.300 -0.026 0.000 1.177 732 P CA 0.581 63.516 63.100 -0.274 0.000 0.773 732 P CB -0.538 30.851 31.700 -0.519 0.000 0.878 733 F N 1.210 121.072 119.950 -0.145 0.000 2.202 733 F HA -0.152 4.402 4.527 0.044 0.000 0.301 733 F C 1.590 177.370 175.800 -0.035 0.000 1.082 733 F CA 1.229 59.178 58.000 -0.085 0.000 1.313 733 F CB -0.535 38.379 39.000 -0.143 0.000 1.024 733 F HN -0.259 nan 8.300 nan 0.000 0.495 734 L N 0.057 121.344 121.223 0.107 0.000 2.610 734 L HA -0.049 4.318 4.340 0.044 0.000 0.232 734 L C 1.746 178.673 176.870 0.096 0.000 1.149 734 L CA 0.686 55.599 54.840 0.121 0.000 0.872 734 L CB -0.597 41.552 42.059 0.150 0.000 0.992 734 L HN 0.192 nan 8.230 nan 0.000 0.447 735 L N -1.079 120.199 121.223 0.092 0.000 2.376 735 L HA -0.008 4.358 4.340 0.044 0.000 0.219 735 L C 2.414 179.408 176.870 0.207 0.000 1.133 735 L CA 0.807 55.754 54.840 0.177 0.000 0.816 735 L CB -0.860 41.337 42.059 0.231 0.000 0.933 735 L HN 0.366 nan 8.230 nan 0.000 0.449 736 G N 0.216 109.000 108.800 -0.027 0.000 2.509 736 G HA2 -0.156 3.830 3.960 0.044 0.000 0.218 736 G HA3 -0.156 3.830 3.960 0.044 0.000 0.218 736 G C 1.552 176.403 174.900 -0.081 0.000 1.124 736 G CA 0.210 45.155 45.100 -0.258 0.000 0.776 736 G HN 0.316 nan 8.290 nan 0.000 0.547 737 I N 1.862 122.449 120.570 0.029 0.000 2.454 737 I HA -0.214 3.982 4.170 0.044 0.000 0.254 737 I C 3.072 179.271 176.117 0.137 0.000 1.156 737 I CA 1.316 62.669 61.300 0.089 0.000 1.433 737 I CB -0.073 38.004 38.000 0.127 0.000 1.082 737 I HN 0.323 nan 8.210 nan 0.000 0.432 738 S N 1.189 116.972 115.700 0.138 0.000 2.383 738 S HA -0.136 4.360 4.470 0.044 0.000 0.227 738 S C 2.252 176.923 174.600 0.119 0.000 1.026 738 S CA 0.809 59.091 58.200 0.137 0.000 0.981 738 S CB -0.502 62.780 63.200 0.138 0.000 0.818 738 S HN 0.398 nan 8.310 nan 0.000 0.472 739 A N 1.157 124.042 122.820 0.108 0.000 1.902 739 A HA 0.057 4.403 4.320 0.044 0.000 0.217 739 A C 1.983 179.589 177.584 0.038 0.000 1.181 739 A CA 1.465 53.530 52.037 0.046 0.000 0.623 739 A CB -1.084 17.878 19.000 -0.064 0.000 0.818 739 A HN 0.601 nan 8.150 nan 0.000 0.443 740 F N -0.125 119.775 119.950 -0.084 0.000 2.186 740 F HA -0.068 4.485 4.527 0.044 0.000 0.299 740 F C 1.737 177.518 175.800 -0.032 0.000 1.090 740 F CA 1.195 59.142 58.000 -0.088 0.000 1.307 740 F CB -0.119 38.801 39.000 -0.133 0.000 1.019 740 F HN 0.131 nan 8.300 nan 0.000 0.489 741 L N 0.329 121.597 121.223 0.074 0.000 2.141 741 L HA -0.082 4.285 4.340 0.044 0.000 0.209 741 L C 2.649 179.527 176.870 0.014 0.000 1.094 741 L CA 1.753 56.612 54.840 0.032 0.000 0.763 741 L CB -1.646 40.477 42.059 0.107 0.000 0.908 741 L HN 0.230 nan 8.230 nan 0.000 0.437 742 A N -1.187 121.632 122.820 -0.001 0.000 1.873 742 A HA -0.148 4.198 4.320 0.044 0.000 0.215 742 A C 2.153 179.683 177.584 -0.090 0.000 1.186 742 A CA 1.203 53.230 52.037 -0.017 0.000 0.616 742 A CB -0.721 18.279 19.000 0.000 0.000 0.823 742 A HN 0.268 nan 8.150 nan 0.000 0.442 743 L N -0.236 120.898 121.223 -0.147 0.000 2.043 743 L HA -0.226 4.140 4.340 0.044 0.000 0.212 743 L C 2.392 179.105 176.870 -0.262 0.000 1.075 743 L CA 2.569 57.282 54.840 -0.212 0.000 0.752 743 L CB -1.391 40.505 42.059 -0.271 0.000 0.891 743 L HN 0.761 nan 8.230 nan 0.000 0.432 744 H N -1.149 117.666 119.070 -0.424 0.000 2.353 744 H HA -0.182 4.401 4.556 0.044 0.000 0.300 744 H C 2.033 177.203 175.328 -0.263 0.000 1.090 744 H CA 2.080 57.879 56.048 -0.415 0.000 1.327 744 H CB -0.120 29.358 29.762 -0.473 0.000 1.383 744 H HN 0.408 nan 8.280 nan 0.000 0.508 745 D N -0.156 120.068 120.400 -0.294 0.000 2.144 745 D HA -0.128 4.538 4.640 0.044 0.000 0.199 745 D C 2.236 178.401 176.300 -0.224 0.000 0.984 745 D CA 1.479 55.330 54.000 -0.249 0.000 0.834 745 D CB -0.453 40.315 40.800 -0.053 0.000 0.955 745 D HN 0.535 nan 8.370 nan 0.000 0.465 746 A N -0.427 122.285 122.820 -0.180 0.000 1.902 746 A HA -0.170 4.177 4.320 0.044 0.000 0.217 746 A C 2.568 180.058 177.584 -0.157 0.000 1.181 746 A CA 1.474 53.432 52.037 -0.132 0.000 0.623 746 A CB -1.020 17.916 19.000 -0.108 0.000 0.818 746 A HN 0.498 nan 8.150 nan 0.000 0.443 747 C N -1.042 118.118 119.300 -0.233 0.000 2.440 747 C HA 0.082 4.568 4.460 0.044 0.000 0.278 747 C C 3.266 178.107 174.990 -0.247 0.000 1.295 747 C CA 0.655 59.532 59.018 -0.236 0.000 1.738 747 C CB -1.312 26.255 27.740 -0.289 0.000 1.987 747 C HN 0.703 nan 8.230 nan 0.000 0.492 748 A N 0.257 122.865 122.820 -0.354 0.000 2.076 748 A HA 0.095 4.441 4.320 0.044 0.000 0.220 748 A C 2.106 179.600 177.584 -0.150 0.000 1.160 748 A CA 1.752 53.616 52.037 -0.288 0.000 0.653 748 A CB -0.522 18.255 19.000 -0.371 0.000 0.801 748 A HN 0.614 nan 8.150 nan 0.000 0.455 749 A N -1.982 120.763 122.820 -0.126 0.000 2.259 749 A HA 0.212 4.559 4.320 0.044 0.000 0.208 749 A C 1.409 178.965 177.584 -0.047 0.000 1.201 749 A CA 0.919 52.916 52.037 -0.066 0.000 0.824 749 A CB -0.837 18.140 19.000 -0.039 0.000 0.838 749 A HN 0.577 nan 8.150 nan 0.000 0.485 750 C N -1.563 117.702 119.300 -0.058 0.000 3.228 750 C HA 0.584 5.071 4.460 0.044 0.000 0.290 750 C C 1.240 176.218 174.990 -0.020 0.000 1.301 750 C CA 0.009 59.003 59.018 -0.040 0.000 1.703 750 C CB -0.650 27.060 27.740 -0.050 0.000 2.141 750 C HN 0.755 nan 8.230 nan 0.000 0.656 751 G N 0.851 109.645 108.800 -0.011 0.000 2.387 751 G HA2 0.383 4.370 3.960 0.044 0.000 0.294 751 G HA3 0.383 4.370 3.960 0.044 0.000 0.294 751 G C -2.531 172.389 174.900 0.032 0.000 1.509 751 G CA -0.243 44.877 45.100 0.034 0.000 0.806 751 G HN -0.229 nan 8.290 nan 0.000 0.546 752 P HA -0.006 nan 4.420 nan 0.000 0.229 752 P C 0.245 177.490 177.300 -0.092 0.000 1.160 752 P CA 0.622 63.681 63.100 -0.068 0.000 0.777 752 P CB 0.021 31.631 31.700 -0.149 0.000 0.814 753 H N -0.765 118.320 119.070 0.026 0.000 2.551 753 H HA 0.031 4.614 4.556 0.044 0.000 0.358 753 H C 0.077 175.462 175.328 0.095 0.000 1.151 753 H CA -0.536 55.551 56.048 0.066 0.000 1.374 753 H CB 0.795 30.586 29.762 0.048 0.000 1.473 753 H HN 0.205 nan 8.280 nan 0.000 0.574 754 W N 5.155 126.502 121.300 0.079 0.000 2.446 754 W HA 0.052 4.739 4.660 0.044 0.000 0.316 754 W C -2.207 174.347 176.519 0.059 0.000 1.376 754 W CA -1.868 55.491 57.345 0.023 0.000 1.300 754 W CB 0.501 29.944 29.460 -0.028 0.000 1.351 754 W HN 0.529 nan 8.180 nan 0.000 0.530 755 P HA -0.226 nan 4.420 nan 0.000 0.215 755 P C 0.189 177.164 177.300 -0.543 0.000 1.153 755 P CA 1.885 64.687 63.100 -0.496 0.000 0.853 755 P CB 0.094 31.480 31.700 -0.523 0.000 0.788 756 D N -2.733 117.022 120.400 -1.074 0.000 2.716 756 D HA -0.151 4.515 4.640 0.044 0.000 0.239 756 D C -0.558 175.673 176.300 -0.115 0.000 1.125 756 D CA 0.103 53.861 54.000 -0.404 0.000 0.681 756 D CB -1.425 39.430 40.800 0.092 0.000 1.070 756 D HN 0.002 nan 8.370 nan 0.000 0.432 757 L N 1.009 122.118 121.223 -0.190 0.000 2.455 757 L HA 0.217 4.583 4.340 0.044 0.000 0.272 757 L C 0.360 177.380 176.870 0.249 0.000 1.174 757 L CA 0.582 55.391 54.840 -0.051 0.000 0.869 757 L CB 0.740 42.648 42.059 -0.252 0.000 1.130 757 L HN 0.057 nan 8.230 nan 0.000 0.474 758 Q N 3.881 123.855 119.800 0.290 0.000 2.215 758 Q HA 0.655 5.021 4.340 0.044 0.000 0.256 758 Q C -0.627 175.612 176.000 0.399 0.000 0.972 758 Q CA -0.556 55.481 55.803 0.391 0.000 0.889 758 Q CB 1.593 30.468 28.738 0.228 0.000 1.281 758 Q HN 0.818 nan 8.270 nan 0.000 0.456 759 A N 2.717 125.635 122.820 0.164 0.000 2.301 759 A HA 0.644 4.990 4.320 0.044 0.000 0.312 759 A C -2.192 175.328 177.584 -0.107 0.000 1.182 759 A CA -1.425 50.521 52.037 -0.152 0.000 0.826 759 A CB 0.251 18.878 19.000 -0.620 0.000 1.134 759 A HN 0.404 nan 8.150 nan 0.000 0.501 760 P HA 0.296 nan 4.420 nan 0.000 0.277 760 P C -0.235 177.083 177.300 0.030 0.000 1.240 760 P CA -0.164 62.861 63.100 -0.125 0.000 0.798 760 P CB 1.300 32.920 31.700 -0.133 0.000 0.979 761 A N 2.041 124.926 122.820 0.108 0.000 3.135 761 A HA 0.282 4.629 4.320 0.044 0.000 0.253 761 A C 0.933 178.514 177.584 -0.005 0.000 1.638 761 A CA -0.253 51.841 52.037 0.095 0.000 1.295 761 A CB -1.608 17.448 19.000 0.093 0.000 1.106 761 A HN 0.605 nan 8.150 nan 0.000 0.648 762 T N -2.028 112.513 114.554 -0.020 0.000 2.855 762 T HA 0.181 4.557 4.350 0.044 0.000 0.314 762 T C -1.512 173.164 174.700 -0.040 0.000 1.077 762 T CA -0.775 61.298 62.100 -0.044 0.000 1.095 762 T CB 0.237 69.078 68.868 -0.044 0.000 0.987 762 T HN 0.172 nan 8.240 nan 0.000 0.546 763 P HA -0.141 nan 4.420 nan 0.000 0.217 763 P C 1.461 178.740 177.300 -0.035 0.000 1.151 763 P CA 1.311 64.385 63.100 -0.043 0.000 0.849 763 P CB 0.067 31.742 31.700 -0.042 0.000 0.787 764 E N -0.555 119.628 120.200 -0.028 0.000 2.072 764 E HA -0.165 4.211 4.350 0.044 0.000 0.191 764 E C 1.968 178.558 176.600 -0.017 0.000 0.985 764 E CA 1.140 57.528 56.400 -0.020 0.000 0.801 764 E CB -0.521 29.171 29.700 -0.013 0.000 0.750 764 E HN 0.071 nan 8.360 nan 0.000 0.452 765 A N 0.400 123.213 122.820 -0.012 0.000 1.933 765 A HA -0.122 4.224 4.320 0.044 0.000 0.218 765 A C 2.364 179.933 177.584 -0.025 0.000 1.175 765 A CA 1.347 53.384 52.037 -0.000 0.000 0.628 765 A CB -0.546 18.469 19.000 0.025 0.000 0.814 765 A HN 0.225 nan 8.150 nan 0.000 0.444 766 V N -0.326 119.561 119.914 -0.045 0.000 2.307 766 V HA -0.215 3.931 4.120 0.044 0.000 0.245 766 V C 2.474 178.525 176.094 -0.071 0.000 1.045 766 V CA 1.894 64.148 62.300 -0.076 0.000 1.024 766 V CB -0.786 30.988 31.823 -0.082 0.000 0.651 766 V HN 0.592 nan 8.190 nan 0.000 0.449 767 L N 0.943 122.135 121.223 -0.052 0.000 2.079 767 L HA -0.101 4.265 4.340 0.044 0.000 0.210 767 L C 2.429 179.272 176.870 -0.046 0.000 1.081 767 L CA 2.313 57.125 54.840 -0.046 0.000 0.752 767 L CB -0.954 41.084 42.059 -0.035 0.000 0.896 767 L HN 0.228 nan 8.230 nan 0.000 0.433 768 A N -0.436 122.362 122.820 -0.037 0.000 1.883 768 A HA -0.145 4.201 4.320 0.044 0.000 0.217 768 A C 2.463 180.018 177.584 -0.049 0.000 1.186 768 A CA 2.012 54.030 52.037 -0.031 0.000 0.624 768 A CB -1.215 17.778 19.000 -0.012 0.000 0.822 768 A HN 0.581 nan 8.150 nan 0.000 0.444 769 A N -0.655 122.123 122.820 -0.069 0.000 1.898 769 A HA 0.040 4.387 4.320 0.044 0.000 0.216 769 A C 2.230 179.740 177.584 -0.124 0.000 1.181 769 A CA 1.670 53.639 52.037 -0.113 0.000 0.620 769 A CB -0.980 17.930 19.000 -0.151 0.000 0.819 769 A HN 0.389 nan 8.150 nan 0.000 0.442 770 V N 0.597 120.448 119.914 -0.106 0.000 2.252 770 V HA -0.317 3.830 4.120 0.044 0.000 0.249 770 V C 2.630 178.678 176.094 -0.077 0.000 1.056 770 V CA 2.356 64.600 62.300 -0.094 0.000 1.022 770 V CB -0.844 30.935 31.823 -0.073 0.000 0.641 770 V HN 0.534 nan 8.190 nan 0.000 0.445 771 R N -0.445 120.016 120.500 -0.066 0.000 2.189 771 R HA -0.069 4.298 4.340 0.044 0.000 0.223 771 R C 2.421 178.675 176.300 -0.077 0.000 1.092 771 R CA 0.894 56.957 56.100 -0.062 0.000 0.989 771 R CB -0.333 29.937 30.300 -0.050 0.000 0.876 771 R HN 0.536 nan 8.270 nan 0.000 0.457 772 R N 0.467 120.921 120.500 -0.076 0.000 2.062 772 R HA 0.011 4.377 4.340 0.044 0.000 0.229 772 R C 2.372 178.630 176.300 -0.070 0.000 1.128 772 R CA 1.199 57.252 56.100 -0.079 0.000 0.960 772 R CB -0.317 29.951 30.300 -0.054 0.000 0.855 772 R HN 0.145 nan 8.270 nan 0.000 0.432 773 A N 1.525 124.315 122.820 -0.051 0.000 1.908 773 A HA -0.202 4.144 4.320 0.044 0.000 0.218 773 A C 1.795 179.407 177.584 0.046 0.000 1.181 773 A CA 1.479 53.524 52.037 0.012 0.000 0.627 773 A CB -0.358 18.603 19.000 -0.065 0.000 0.818 773 A HN 0.328 nan 8.150 nan 0.000 0.445 774 E N -1.394 118.792 120.200 -0.024 0.000 2.418 774 E HA 0.171 4.547 4.350 0.044 0.000 0.197 774 E C 1.018 177.573 176.600 -0.075 0.000 1.026 774 E CA 0.242 56.630 56.400 -0.021 0.000 0.862 774 E CB -0.252 29.426 29.700 -0.037 0.000 0.799 774 E HN 0.773 nan 8.360 nan 0.000 0.518 775 G N 2.247 110.921 108.800 -0.210 0.000 2.272 775 G HA2 -0.331 3.656 3.960 0.044 0.000 0.280 775 G HA3 -0.331 3.656 3.960 0.044 0.000 0.280 775 G C -0.058 174.736 174.900 -0.177 0.000 1.067 775 G CA 0.065 44.943 45.100 -0.369 0.000 0.902 775 G HN 0.179 nan 8.290 nan 0.000 0.500 776 R N 0.237 120.666 120.500 -0.118 0.000 3.256 776 R HA 0.593 4.959 4.340 0.044 0.000 0.263 776 R C 1.183 177.447 176.300 -0.061 0.000 1.388 776 R CA 0.240 56.296 56.100 -0.073 0.000 1.580 776 R CB 0.270 30.537 30.300 -0.054 0.000 1.255 776 R HN 1.602 nan 8.270 nan 0.000 0.640 777 A N 0.000 122.783 122.820 -0.062 0.000 2.254 777 A HA 0.000 4.346 4.320 0.044 0.000 0.244 777 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 777 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 777 A HN 0.000 nan 8.150 nan 0.000 0.486