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 1a4e_1_C DATA FIRST_RESID 15 DATA SEQUENCE DVREDRVVTN STGNPINEPF VTQRIGEHGP LLLQDYNLID SLAHFNRENI DATA SEQUENCE PQRNPHAHGS GAFGYFEVTD DITDICGSAM FSKIGKRTKC LTRFSTVGGD DATA SEQUENCE KGSADTVRDP RGFATKFYTE EGNLDWVYNN TPVFFIRDPS KFPHFIHTQK DATA SEQUENCE RNPQTNLRDA DMFWDFLTTP ENQVAIHQVM ILFSDRGTPA NYRSMHGYSG DATA SEQUENCE HTYKWSNKNG DWHYVQVHIK TDQGIKNLTI EEATKIAGSN PDYCQQDLFE DATA SEQUENCE AIQNGNYPSW TVYIQTMTER DAKKLPFSVF DLTKVWPQGQ FPLRRVGKIV DATA SEQUENCE LNENPLNFFA QVEQAAFAPS TTVPYQEASA DPVLQARLFS YADAHRYRLG DATA SEQUENCE PNFHQIPVNC PYASKFFNPA IRDGPMNVNG NFGSEPTYLA NDKSYTYIQQ DATA SEQUENCE DRPIQQHQEV WNGPAIPYHW ATSPGDVDFV QARNLYRVLG KQPGQQKNLA DATA SEQUENCE YNIGIHVEGA CPQIQQRVYD MFARVDKGLS EAIKKVAE 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 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.294 176.300 -0.010 0.000 2.045 15 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 15 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 16 V N 2.132 122.042 119.914 -0.008 0.000 2.427 16 V HA 0.374 4.494 4.120 -0.000 0.000 0.286 16 V C 0.592 176.680 176.094 -0.011 0.000 1.034 16 V CA -0.820 61.475 62.300 -0.008 0.000 0.893 16 V CB 1.488 33.309 31.823 -0.003 0.000 0.982 16 V HN 0.441 nan 8.190 nan 0.000 0.452 17 R N 3.170 123.663 120.500 -0.013 0.000 2.489 17 R HA 0.208 4.548 4.340 -0.000 0.000 0.287 17 R C 0.500 176.793 176.300 -0.011 0.000 1.053 17 R CA -0.073 56.019 56.100 -0.013 0.000 1.036 17 R CB 0.596 30.887 30.300 -0.014 0.000 0.966 17 R HN 0.690 nan 8.270 nan 0.000 0.432 18 E N 1.595 121.788 120.200 -0.011 0.000 2.268 18 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 18 E C 0.626 177.221 176.600 -0.009 0.000 0.995 18 E CA 1.345 57.739 56.400 -0.009 0.000 0.836 18 E CB 0.099 29.793 29.700 -0.009 0.000 0.763 18 E HN 0.791 nan 8.360 nan 0.000 0.491 19 D N 0.281 120.675 120.400 -0.010 0.000 2.363 19 D HA -0.128 4.512 4.640 -0.000 0.000 0.220 19 D C 0.308 176.600 176.300 -0.012 0.000 0.994 19 D CA 0.121 54.115 54.000 -0.010 0.000 0.890 19 D CB -0.228 40.566 40.800 -0.011 0.000 0.906 19 D HN -0.027 nan 8.370 nan 0.000 0.530 20 R N -0.562 119.930 120.500 -0.013 0.000 3.516 20 R HA -0.129 4.211 4.340 -0.000 0.000 0.271 20 R C -0.632 175.656 176.300 -0.020 0.000 1.098 20 R CA 0.162 56.253 56.100 -0.015 0.000 0.732 20 R CB -2.226 28.067 30.300 -0.012 0.000 1.152 20 R HN 0.134 nan 8.270 nan 0.000 0.455 21 V N 1.530 121.432 119.914 -0.021 0.000 2.470 21 V HA 0.091 4.210 4.120 -0.000 0.000 0.276 21 V C 1.013 177.090 176.094 -0.029 0.000 1.040 21 V CA -0.135 62.150 62.300 -0.024 0.000 1.008 21 V CB 1.587 33.398 31.823 -0.020 0.000 0.990 21 V HN 0.032 nan 8.190 nan 0.000 0.477 22 V N 6.075 125.965 119.914 -0.039 0.000 2.488 22 V HA 0.402 4.522 4.120 -0.000 0.000 0.277 22 V C 0.659 176.728 176.094 -0.041 0.000 1.046 22 V CA 0.103 62.374 62.300 -0.048 0.000 0.986 22 V CB 1.197 32.976 31.823 -0.072 0.000 0.989 22 V HN 1.093 nan 8.190 nan 0.000 0.475 23 T N 1.585 116.119 114.554 -0.034 0.000 2.888 23 T HA 0.572 4.922 4.350 -0.000 0.000 0.288 23 T C -0.225 174.465 174.700 -0.017 0.000 1.063 23 T CA -0.984 61.104 62.100 -0.020 0.000 1.010 23 T CB 1.918 70.776 68.868 -0.016 0.000 1.214 23 T HN 0.627 nan 8.240 nan 0.000 0.533 24 N N 0.058 118.762 118.700 0.006 0.000 2.431 24 N HA 0.296 5.036 4.740 -0.000 0.000 0.289 24 N C 1.195 176.705 175.510 -0.001 0.000 1.277 24 N CA -0.517 52.542 53.050 0.016 0.000 0.972 24 N CB -0.506 38.023 38.487 0.070 0.000 1.143 24 N HN 0.485 nan 8.380 nan 0.000 0.578 25 S N -1.578 114.123 115.700 0.001 0.000 2.400 25 S HA -0.117 4.352 4.470 -0.000 0.000 0.232 25 S C 1.061 175.656 174.600 -0.009 0.000 1.025 25 S CA 1.634 59.827 58.200 -0.012 0.000 0.993 25 S CB -0.847 62.357 63.200 0.006 0.000 0.808 25 S HN 0.860 nan 8.310 nan 0.000 0.478 26 T N -1.580 112.970 114.554 -0.007 0.000 3.273 26 T HA 0.493 4.843 4.350 -0.000 0.000 0.254 26 T C 1.186 175.876 174.700 -0.017 0.000 1.002 26 T CA 0.427 62.517 62.100 -0.017 0.000 0.913 26 T CB 0.155 69.003 68.868 -0.032 0.000 1.056 26 T HN 0.427 nan 8.240 nan 0.000 0.576 27 G N 1.693 110.485 108.800 -0.012 0.000 2.168 27 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 27 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 27 G C -0.181 174.715 174.900 -0.007 0.000 0.977 27 G CA -0.094 44.999 45.100 -0.012 0.000 0.659 27 G HN 0.701 nan 8.290 nan 0.000 0.533 28 N N 1.830 120.531 118.700 0.002 0.000 2.458 28 N HA 0.477 5.217 4.740 -0.000 0.000 0.270 28 N C -2.711 172.811 175.510 0.020 0.000 1.102 28 N CA -1.380 51.679 53.050 0.014 0.000 0.967 28 N CB 1.083 39.588 38.487 0.029 0.000 1.078 28 N HN 0.096 nan 8.380 nan 0.000 0.471 29 P HA 0.067 nan 4.420 nan 0.000 0.271 29 P C -0.510 176.790 177.300 0.002 0.000 1.220 29 P CA 0.199 63.299 63.100 0.000 0.000 0.768 29 P CB 0.637 32.335 31.700 -0.005 0.000 0.848 30 I N 3.295 123.854 120.570 -0.019 0.000 2.342 30 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 30 I C 1.731 177.820 176.117 -0.047 0.000 1.010 30 I CA -0.092 61.187 61.300 -0.035 0.000 1.308 30 I CB 0.577 38.541 38.000 -0.060 0.000 1.400 30 I HN 0.436 nan 8.210 nan 0.000 0.488 31 N N 3.616 122.291 118.700 -0.041 0.000 2.084 31 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 31 N C 0.523 176.003 175.510 -0.051 0.000 1.030 31 N CA 1.238 54.265 53.050 -0.039 0.000 0.849 31 N CB 0.354 38.822 38.487 -0.032 0.000 1.012 31 N HN 0.547 nan 8.380 nan 0.000 0.423 32 E N -0.983 119.176 120.200 -0.069 0.000 2.304 32 E HA 0.164 4.513 4.350 -0.000 0.000 0.277 32 E C -2.048 174.462 176.600 -0.150 0.000 0.898 32 E CA -1.669 54.684 56.400 -0.080 0.000 0.764 32 E CB 2.015 31.692 29.700 -0.039 0.000 1.216 32 E HN -0.047 nan 8.360 nan 0.000 0.419 33 P HA -0.064 nan 4.420 nan 0.000 0.216 33 P C 0.718 177.605 177.300 -0.688 0.000 1.150 33 P CA 1.196 63.939 63.100 -0.595 0.000 0.837 33 P CB 0.126 31.275 31.700 -0.918 0.000 0.786 34 F N -0.713 119.220 119.950 -0.028 0.000 2.688 34 F HA 0.137 4.664 4.527 -0.000 0.000 0.310 34 F C 0.987 176.764 175.800 -0.038 0.000 1.098 34 F CA -0.909 57.071 58.000 -0.033 0.000 1.228 34 F CB -0.544 38.439 39.000 -0.029 0.000 1.042 34 F HN -0.301 nan 8.300 nan 0.000 0.557 35 V N 0.411 120.371 119.914 0.076 0.000 2.655 35 V HA 0.506 4.625 4.120 -0.000 0.000 0.300 35 V C 0.241 176.337 176.094 0.003 0.000 1.044 35 V CA -0.292 62.026 62.300 0.030 0.000 1.095 35 V CB 0.256 32.073 31.823 -0.011 0.000 0.952 35 V HN 0.336 nan 8.190 nan 0.000 0.485 36 T N 2.051 116.601 114.554 -0.007 0.000 2.886 36 T HA 0.521 4.871 4.350 -0.000 0.000 0.292 36 T C -0.587 174.087 174.700 -0.044 0.000 1.012 36 T CA -0.782 61.299 62.100 -0.031 0.000 0.982 36 T CB 1.601 70.460 68.868 -0.016 0.000 1.018 36 T HN 0.796 nan 8.240 nan 0.000 0.451 37 Q N 2.099 121.861 119.800 -0.063 0.000 2.314 37 Q HA 0.473 4.813 4.340 -0.000 0.000 0.258 37 Q C 0.287 176.259 176.000 -0.046 0.000 0.954 37 Q CA -0.365 55.401 55.803 -0.062 0.000 0.890 37 Q CB 0.896 29.586 28.738 -0.079 0.000 1.210 37 Q HN 0.726 nan 8.270 nan 0.000 0.410 38 R N 0.817 121.290 120.500 -0.044 0.000 2.752 38 R HA 0.468 4.808 4.340 -0.000 0.000 0.271 38 R C -1.096 175.183 176.300 -0.034 0.000 1.026 38 R CA -1.039 55.040 56.100 -0.034 0.000 0.901 38 R CB 0.704 30.983 30.300 -0.035 0.000 1.243 38 R HN 0.350 nan 8.270 nan 0.000 0.463 39 I N 2.175 122.731 120.570 -0.023 0.000 2.436 39 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 39 I C 1.380 177.480 176.117 -0.028 0.000 1.083 39 I CA 1.621 62.909 61.300 -0.021 0.000 1.372 39 I CB -0.227 37.768 38.000 -0.009 0.000 1.408 39 I HN 1.023 nan 8.210 nan 0.000 0.516 40 G N 7.269 116.047 108.800 -0.037 0.000 2.569 40 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.259 40 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.259 40 G C 0.556 175.393 174.900 -0.105 0.000 1.263 40 G CA 0.184 45.252 45.100 -0.053 0.000 0.928 40 G HN 0.622 nan 8.290 nan 0.000 0.572 41 E N -0.211 119.881 120.200 -0.180 0.000 2.364 41 E HA 0.108 4.458 4.350 -0.000 0.000 0.196 41 E C 0.769 177.001 176.600 -0.612 0.000 0.990 41 E CA 0.526 56.685 56.400 -0.401 0.000 0.886 41 E CB 0.279 29.655 29.700 -0.541 0.000 0.866 41 E HN 0.547 nan 8.360 nan 0.000 0.493 42 H N -0.669 118.396 119.070 -0.008 0.000 2.777 42 H HA 0.273 4.829 4.556 -0.000 0.000 0.244 42 H C 0.405 175.728 175.328 -0.009 0.000 1.185 42 H CA -0.027 56.016 56.048 -0.009 0.000 0.945 42 H CB 0.664 30.421 29.762 -0.009 0.000 1.994 42 H HN 0.025 nan 8.280 nan 0.000 0.638 43 G N 1.859 110.685 108.800 0.044 0.000 2.537 43 G HA2 0.344 4.304 3.960 -0.000 0.000 0.297 43 G HA3 0.344 4.304 3.960 -0.000 0.000 0.297 43 G C -2.139 172.771 174.900 0.018 0.000 1.310 43 G CA -1.182 43.935 45.100 0.029 0.000 1.027 43 G HN -0.047 nan 8.290 nan 0.000 0.505 44 P HA 0.191 nan 4.420 nan 0.000 0.272 44 P C -0.577 176.723 177.300 -0.000 0.000 1.223 44 P CA -0.540 62.565 63.100 0.007 0.000 0.784 44 P CB 1.054 32.758 31.700 0.007 0.000 0.923 45 L N 1.892 123.115 121.223 -0.001 0.000 2.426 45 L HA 0.140 4.480 4.340 -0.000 0.000 0.271 45 L C 0.539 177.404 176.870 -0.008 0.000 1.169 45 L CA 0.167 55.002 54.840 -0.008 0.000 0.836 45 L CB -0.355 41.701 42.059 -0.006 0.000 1.112 45 L HN 0.270 nan 8.230 nan 0.000 0.465 46 L N 4.134 125.348 121.223 -0.016 0.000 2.325 46 L HA 0.230 4.570 4.340 -0.000 0.000 0.279 46 L C 1.322 178.186 176.870 -0.009 0.000 1.054 46 L CA -0.474 54.358 54.840 -0.013 0.000 0.804 46 L CB 1.127 43.173 42.059 -0.021 0.000 1.200 46 L HN 0.620 nan 8.230 nan 0.000 0.436 47 L N 2.168 123.394 121.223 0.005 0.000 2.083 47 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 47 L C 2.450 179.336 176.870 0.027 0.000 1.083 47 L CA 1.506 56.357 54.840 0.018 0.000 0.752 47 L CB -0.095 41.979 42.059 0.026 0.000 0.899 47 L HN 0.865 nan 8.230 nan 0.000 0.433 48 Q N -1.102 118.711 119.800 0.021 0.000 2.541 48 Q HA -0.172 4.168 4.340 -0.000 0.000 0.215 48 Q C 0.237 176.204 176.000 -0.055 0.000 0.977 48 Q CA 0.585 56.413 55.803 0.042 0.000 0.934 48 Q CB -0.379 28.381 28.738 0.038 0.000 0.988 48 Q HN 0.233 nan 8.270 nan 0.000 0.521 49 D N 0.929 121.265 120.400 -0.108 0.000 2.517 49 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 49 D C 0.219 176.413 176.300 -0.176 0.000 1.158 49 D CA -0.564 53.291 54.000 -0.243 0.000 0.992 49 D CB 0.064 40.774 40.800 -0.150 0.000 1.058 49 D HN 0.388 nan 8.370 nan 0.000 0.516 50 Y N 1.478 121.782 120.300 0.007 0.000 2.439 50 Y HA 0.032 4.582 4.550 -0.000 0.000 0.292 50 Y C 1.523 177.430 175.900 0.011 0.000 1.130 50 Y CA 0.281 58.387 58.100 0.010 0.000 1.254 50 Y CB -0.641 37.824 38.460 0.008 0.000 1.000 50 Y HN 0.106 nan 8.280 nan 0.000 0.554 51 N N 0.782 119.440 118.700 -0.070 0.000 2.270 51 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 51 N C 1.689 177.204 175.510 0.009 0.000 1.016 51 N CA 1.155 54.220 53.050 0.024 0.000 0.870 51 N CB -0.337 38.111 38.487 -0.066 0.000 0.979 51 N HN 0.434 nan 8.380 nan 0.000 0.431 52 L N 0.976 122.183 121.223 -0.028 0.000 2.044 52 L HA 0.101 4.441 4.340 -0.000 0.000 0.205 52 L C 1.872 178.762 176.870 0.032 0.000 1.075 52 L CA 1.252 56.091 54.840 -0.002 0.000 0.747 52 L CB -0.446 41.601 42.059 -0.020 0.000 0.903 52 L HN 0.044 nan 8.230 nan 0.000 0.435 53 I N -0.180 120.417 120.570 0.045 0.000 2.394 53 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 53 I C 2.126 178.298 176.117 0.091 0.000 1.136 53 I CA 1.430 62.771 61.300 0.068 0.000 1.425 53 I CB -0.436 37.608 38.000 0.073 0.000 1.079 53 I HN 0.399 nan 8.210 nan 0.000 0.425 54 D N 0.295 120.758 120.400 0.105 0.000 2.097 54 D HA -0.221 4.418 4.640 -0.000 0.000 0.195 54 D C 2.269 178.642 176.300 0.122 0.000 0.989 54 D CA 1.803 55.871 54.000 0.113 0.000 0.827 54 D CB 0.012 40.880 40.800 0.114 0.000 0.966 54 D HN 0.112 nan 8.370 nan 0.000 0.456 55 S N -1.212 114.546 115.700 0.097 0.000 2.355 55 S HA -0.031 4.439 4.470 -0.000 0.000 0.222 55 S C 2.151 176.845 174.600 0.156 0.000 1.031 55 S CA 0.843 59.107 58.200 0.107 0.000 0.993 55 S CB -0.393 62.844 63.200 0.062 0.000 0.859 55 S HN 0.341 nan 8.310 nan 0.000 0.453 56 L N 0.915 122.209 121.223 0.119 0.000 2.093 56 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 56 L C 2.908 179.895 176.870 0.194 0.000 1.085 56 L CA 1.145 56.068 54.840 0.138 0.000 0.755 56 L CB -0.668 41.434 42.059 0.072 0.000 0.904 56 L HN 0.404 nan 8.230 nan 0.000 0.435 57 A N -1.164 121.743 122.820 0.144 0.000 1.930 57 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 57 A C 2.254 179.900 177.584 0.103 0.000 1.175 57 A CA 1.308 53.411 52.037 0.110 0.000 0.627 57 A CB -0.791 18.260 19.000 0.085 0.000 0.815 57 A HN 0.429 nan 8.150 nan 0.000 0.443 58 H N -1.815 117.304 119.070 0.082 0.000 2.423 58 H HA -0.110 4.446 4.556 -0.000 0.000 0.297 58 H C 1.839 177.199 175.328 0.054 0.000 1.075 58 H CA 1.712 57.792 56.048 0.053 0.000 1.342 58 H CB -0.234 29.557 29.762 0.048 0.000 1.395 58 H HN 0.507 nan 8.280 nan 0.000 0.530 59 F N 2.104 122.115 119.950 0.102 0.000 2.134 59 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 59 F C 2.002 177.795 175.800 -0.013 0.000 1.097 59 F CA 1.338 59.367 58.000 0.049 0.000 1.264 59 F CB -0.343 38.684 39.000 0.045 0.000 1.001 59 F HN 0.068 nan 8.300 nan 0.000 0.479 60 N N 0.599 119.311 118.700 0.020 0.000 2.443 60 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 60 N C 1.005 176.411 175.510 -0.173 0.000 1.037 60 N CA 0.967 53.971 53.050 -0.078 0.000 0.896 60 N CB -0.312 38.196 38.487 0.036 0.000 0.959 60 N HN 0.415 nan 8.380 nan 0.000 0.442 61 R N 0.221 120.586 120.500 -0.225 0.000 2.586 61 R HA 0.207 4.547 4.340 -0.000 0.000 0.336 61 R C 0.815 176.933 176.300 -0.304 0.000 1.060 61 R CA -0.091 55.860 56.100 -0.249 0.000 1.079 61 R CB 0.434 30.571 30.300 -0.272 0.000 1.317 61 R HN 0.267 nan 8.270 nan 0.000 0.568 62 E N 0.534 120.536 120.200 -0.329 0.000 2.152 62 E HA -0.041 4.308 4.350 -0.000 0.000 0.192 62 E C 0.037 176.478 176.600 -0.265 0.000 0.983 62 E CA 0.647 56.843 56.400 -0.340 0.000 0.818 62 E CB 0.201 29.673 29.700 -0.381 0.000 0.758 62 E HN 0.232 nan 8.360 nan 0.000 0.467 63 N N 1.186 119.790 118.700 -0.161 0.000 2.479 63 N HA 0.233 4.973 4.740 -0.000 0.000 0.285 63 N C -0.103 175.425 175.510 0.029 0.000 1.075 63 N CA -0.177 52.858 53.050 -0.025 0.000 0.967 63 N CB 1.281 39.745 38.487 -0.039 0.000 1.137 63 N HN 0.099 nan 8.380 nan 0.000 0.472 64 I N -1.547 119.099 120.570 0.126 0.000 2.707 64 I HA 0.635 4.805 4.170 -0.000 0.000 0.309 64 I C -2.218 173.922 176.117 0.038 0.000 1.001 64 I CA -2.384 58.953 61.300 0.062 0.000 1.129 64 I CB 0.958 39.007 38.000 0.081 0.000 1.308 64 I HN 0.157 nan 8.210 nan 0.000 0.466 65 P HA 0.056 nan 4.420 nan 0.000 0.265 65 P C -1.067 176.272 177.300 0.065 0.000 1.193 65 P CA -0.116 63.007 63.100 0.038 0.000 0.765 65 P CB 0.432 32.163 31.700 0.052 0.000 0.823 66 Q N 2.530 122.381 119.800 0.085 0.000 2.394 66 Q HA 0.213 4.552 4.340 -0.000 0.000 0.248 66 Q C -0.285 175.775 176.000 0.099 0.000 0.992 66 Q CA -0.599 55.262 55.803 0.097 0.000 0.888 66 Q CB 0.666 29.468 28.738 0.106 0.000 1.257 66 Q HN 0.296 nan 8.270 nan 0.000 0.462 67 R N 1.417 121.979 120.500 0.103 0.000 2.640 67 R HA 0.031 4.371 4.340 -0.000 0.000 0.270 67 R C -0.422 175.944 176.300 0.110 0.000 1.024 67 R CA 0.101 56.264 56.100 0.107 0.000 1.085 67 R CB 0.127 30.503 30.300 0.127 0.000 0.963 67 R HN 0.574 nan 8.270 nan 0.000 0.426 68 N N 3.222 121.977 118.700 0.092 0.000 2.569 68 N HA 0.269 5.009 4.740 -0.000 0.000 0.254 68 N C -2.285 173.297 175.510 0.120 0.000 1.004 68 N CA -1.680 51.422 53.050 0.087 0.000 0.904 68 N CB 0.979 39.503 38.487 0.062 0.000 1.165 68 N HN 0.388 nan 8.380 nan 0.000 0.513 69 P HA 0.355 nan 4.420 nan 0.000 0.346 69 P C -0.752 176.729 177.300 0.302 0.000 1.306 69 P CA 0.052 63.266 63.100 0.190 0.000 0.778 69 P CB 0.650 32.439 31.700 0.149 0.000 1.710 70 H N -2.214 116.933 119.070 0.129 0.000 2.826 70 H HA -0.130 4.426 4.556 -0.000 0.000 0.306 70 H C 1.183 176.588 175.328 0.130 0.000 1.235 70 H CA 0.379 56.510 56.048 0.139 0.000 1.150 70 H CB -1.629 28.212 29.762 0.131 0.000 1.409 70 H HN 0.542 nan 8.280 nan 0.000 0.420 71 A N 0.104 123.046 122.820 0.203 0.000 1.933 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 71 A C 1.107 178.837 177.584 0.242 0.000 1.175 71 A CA 1.449 53.600 52.037 0.191 0.000 0.628 71 A CB -0.133 18.961 19.000 0.156 0.000 0.814 71 A HN 0.499 nan 8.150 nan 0.000 0.444 72 H N -1.054 118.109 119.070 0.154 0.000 2.488 72 H HA 0.548 5.104 4.556 -0.000 0.000 0.322 72 H C 0.208 175.670 175.328 0.223 0.000 1.078 72 H CA 0.337 56.492 56.048 0.178 0.000 1.260 72 H CB 0.728 30.575 29.762 0.142 0.000 1.425 72 H HN 0.393 nan 8.280 nan 0.000 0.471 73 G N 1.948 110.624 108.800 -0.207 0.000 2.548 73 G HA2 0.481 4.441 3.960 -0.000 0.000 0.301 73 G HA3 0.481 4.441 3.960 -0.000 0.000 0.301 73 G C -1.582 173.379 174.900 0.102 0.000 1.349 73 G CA -0.677 44.393 45.100 -0.051 0.000 0.792 73 G HN 0.635 nan 8.290 nan 0.000 0.481 74 S N -1.943 113.825 115.700 0.113 0.000 2.627 74 S HA 0.951 5.420 4.470 -0.000 0.000 0.283 74 S C -0.096 174.552 174.600 0.080 0.000 1.127 74 S CA -0.122 58.229 58.200 0.251 0.000 0.863 74 S CB 2.016 65.402 63.200 0.311 0.000 1.121 74 S HN 1.652 nan 8.310 nan 0.000 0.479 75 G N -0.404 108.461 108.800 0.108 0.000 2.684 75 G HA2 0.827 4.787 3.960 -0.000 0.000 0.290 75 G HA3 0.827 4.787 3.960 -0.000 0.000 0.290 75 G C -1.802 173.076 174.900 -0.036 0.000 1.425 75 G CA -0.297 44.749 45.100 -0.090 0.000 0.822 75 G HN 1.083 nan 8.290 nan 0.000 0.482 76 A N -0.536 122.169 122.820 -0.191 0.000 2.605 76 A HA 0.761 5.081 4.320 -0.000 0.000 0.294 76 A C -1.625 175.797 177.584 -0.271 0.000 1.062 76 A CA -0.738 51.227 52.037 -0.120 0.000 0.682 76 A CB 0.788 19.828 19.000 0.066 0.000 1.278 76 A HN 0.701 nan 8.150 nan 0.000 0.410 77 F N 0.584 120.542 119.950 0.014 0.000 2.380 77 F HA 0.778 5.305 4.527 -0.000 0.000 0.321 77 F C 1.316 177.118 175.800 0.004 0.000 1.103 77 F CA 1.173 59.180 58.000 0.012 0.000 1.067 77 F CB 1.996 41.004 39.000 0.014 0.000 1.265 77 F HN 1.048 nan 8.300 nan 0.000 0.517 78 G N -0.076 108.871 108.800 0.245 0.000 2.512 78 G HA2 0.457 4.417 3.960 -0.000 0.000 0.186 78 G HA3 0.457 4.417 3.960 -0.000 0.000 0.186 78 G C -2.110 172.945 174.900 0.258 0.000 1.189 78 G CA -0.411 44.775 45.100 0.144 0.000 0.994 78 G HN 0.743 nan 8.290 nan 0.000 0.506 79 Y N -1.790 118.601 120.300 0.153 0.000 2.624 79 Y HA 0.803 5.353 4.550 -0.000 0.000 0.334 79 Y C -1.761 174.301 175.900 0.270 0.000 1.155 79 Y CA -2.070 56.146 58.100 0.193 0.000 1.046 79 Y CB 1.503 40.041 38.460 0.130 0.000 1.316 79 Y HN 0.763 nan 8.280 nan 0.000 0.457 80 F N 2.086 122.255 119.950 0.366 0.000 2.443 80 F HA 0.642 5.168 4.527 -0.000 0.000 0.335 80 F C -0.662 175.352 175.800 0.357 0.000 1.104 80 F CA -0.601 57.590 58.000 0.319 0.000 1.013 80 F CB 1.636 40.839 39.000 0.338 0.000 1.136 80 F HN 0.762 nan 8.300 nan 0.000 0.470 81 E N 4.990 124.885 120.200 -0.510 0.000 2.224 81 E HA 0.418 4.768 4.350 -0.000 0.000 0.265 81 E C -1.569 174.646 176.600 -0.642 0.000 0.878 81 E CA -0.907 55.307 56.400 -0.311 0.000 0.759 81 E CB 2.011 31.732 29.700 0.036 0.000 1.164 81 E HN 0.535 nan 8.360 nan 0.000 0.414 82 V N 4.297 124.026 119.914 -0.307 0.000 2.446 82 V HA 0.018 4.138 4.120 -0.000 0.000 0.276 82 V C 1.338 177.400 176.094 -0.053 0.000 1.030 82 V CA 0.821 63.068 62.300 -0.089 0.000 1.033 82 V CB 0.653 32.562 31.823 0.143 0.000 0.993 82 V HN 0.896 nan 8.190 nan 0.000 0.477 83 T N -0.045 114.482 114.554 -0.045 0.000 3.022 83 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 83 T C 0.144 174.850 174.700 0.011 0.000 1.060 83 T CA -0.100 61.990 62.100 -0.016 0.000 1.013 83 T CB 0.094 68.946 68.868 -0.027 0.000 0.982 83 T HN 0.642 nan 8.240 nan 0.000 0.508 84 D N 0.407 120.824 120.400 0.029 0.000 2.570 84 D HA 0.477 5.117 4.640 -0.000 0.000 0.244 84 D C -1.783 174.543 176.300 0.044 0.000 1.178 84 D CA -0.703 53.317 54.000 0.033 0.000 0.881 84 D CB 1.600 42.416 40.800 0.027 0.000 1.453 84 D HN 0.085 nan 8.370 nan 0.000 0.447 85 D N 0.505 120.926 120.400 0.036 0.000 2.347 85 D HA 0.340 4.980 4.640 -0.000 0.000 0.235 85 D C -0.014 176.298 176.300 0.020 0.000 1.149 85 D CA -0.351 53.670 54.000 0.036 0.000 0.850 85 D CB 0.483 41.303 40.800 0.032 0.000 1.061 85 D HN 0.446 nan 8.370 nan 0.000 0.487 86 I N 0.846 121.419 120.570 0.005 0.000 3.707 86 I HA 0.231 4.401 4.170 -0.000 0.000 0.330 86 I C 1.199 177.314 176.117 -0.003 0.000 1.572 86 I CA -0.536 60.752 61.300 -0.019 0.000 1.104 86 I CB 0.404 38.359 38.000 -0.074 0.000 1.240 86 I HN 0.223 nan 8.210 nan 0.000 0.475 87 T N -2.254 112.312 114.554 0.020 0.000 3.007 87 T HA -0.144 4.206 4.350 -0.000 0.000 0.270 87 T C 1.440 176.153 174.700 0.021 0.000 1.107 87 T CA 1.254 63.367 62.100 0.022 0.000 1.118 87 T CB -0.517 68.362 68.868 0.020 0.000 0.889 87 T HN 0.650 nan 8.240 nan 0.000 0.506 88 D N 1.302 121.719 120.400 0.028 0.000 2.269 88 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 88 D C 1.808 178.150 176.300 0.071 0.000 0.963 88 D CA 0.509 54.535 54.000 0.044 0.000 0.864 88 D CB -0.117 40.702 40.800 0.031 0.000 0.936 88 D HN 0.389 nan 8.370 nan 0.000 0.505 89 I N 0.203 120.810 120.570 0.062 0.000 2.729 89 I HA 0.072 4.242 4.170 -0.000 0.000 0.256 89 I C 0.987 177.257 176.117 0.256 0.000 1.115 89 I CA 0.114 61.486 61.300 0.120 0.000 1.446 89 I CB -0.359 37.681 38.000 0.067 0.000 1.176 89 I HN 0.138 nan 8.210 nan 0.000 0.446 90 C N 1.102 120.511 119.300 0.183 0.000 2.431 90 C HA 0.703 5.163 4.460 -0.000 0.000 0.321 90 C C 1.316 176.314 174.990 0.012 0.000 1.202 90 C CA -0.494 58.626 59.018 0.171 0.000 1.398 90 C CB 0.617 28.447 27.740 0.150 0.000 2.047 90 C HN 0.602 nan 8.230 nan 0.000 0.465 91 G N 3.392 112.049 108.800 -0.239 0.000 3.233 91 G HA2 0.169 4.129 3.960 -0.000 0.000 0.227 91 G HA3 0.169 4.129 3.960 -0.000 0.000 0.227 91 G C 0.483 175.083 174.900 -0.501 0.000 1.175 91 G CA 0.144 44.843 45.100 -0.670 0.000 0.781 91 G HN 0.738 nan 8.290 nan 0.000 0.542 92 S N 0.457 116.113 115.700 -0.074 0.000 2.549 92 S HA 0.351 4.821 4.470 -0.000 0.000 0.286 92 S C 1.746 176.290 174.600 -0.093 0.000 1.314 92 S CA 0.072 58.269 58.200 -0.005 0.000 1.062 92 S CB 1.598 64.702 63.200 -0.160 0.000 0.865 92 S HN 0.433 nan 8.310 nan 0.000 0.498 93 A N 3.904 126.673 122.820 -0.084 0.000 1.986 93 A HA -0.203 4.116 4.320 -0.000 0.000 0.220 93 A C 2.047 179.543 177.584 -0.147 0.000 1.171 93 A CA 1.923 53.908 52.037 -0.086 0.000 0.640 93 A CB -0.859 18.102 19.000 -0.064 0.000 0.811 93 A HN 0.960 nan 8.150 nan 0.000 0.451 94 M N -3.295 116.108 119.600 -0.328 0.000 2.374 94 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 94 M C 0.758 176.883 176.300 -0.291 0.000 1.067 94 M CA 1.595 56.650 55.300 -0.408 0.000 1.103 94 M CB -0.423 31.728 32.600 -0.748 0.000 1.402 94 M HN 0.166 nan 8.290 nan 0.000 0.444 95 F N 1.055 120.979 119.950 -0.043 0.000 2.695 95 F HA 0.268 4.795 4.527 -0.000 0.000 0.303 95 F C 2.483 178.289 175.800 0.010 0.000 1.091 95 F CA -0.004 58.008 58.000 0.021 0.000 1.300 95 F CB -0.641 38.354 39.000 -0.009 0.000 1.071 95 F HN 0.337 nan 8.300 nan 0.000 0.578 96 S N -0.689 115.083 115.700 0.119 0.000 2.399 96 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 96 S C 0.763 175.401 174.600 0.063 0.000 1.022 96 S CA 0.819 59.060 58.200 0.067 0.000 0.983 96 S CB -0.111 63.101 63.200 0.019 0.000 0.803 96 S HN 0.011 nan 8.310 nan 0.000 0.480 97 K N 0.651 121.093 120.400 0.069 0.000 2.426 97 K HA 0.513 4.833 4.320 -0.000 0.000 0.251 97 K C -0.893 175.744 176.600 0.062 0.000 0.941 97 K CA -0.700 55.618 56.287 0.052 0.000 0.808 97 K CB 1.906 34.424 32.500 0.031 0.000 1.265 97 K HN 0.196 nan 8.250 nan 0.000 0.432 98 I N 1.058 121.657 120.570 0.047 0.000 2.496 98 I HA 0.105 4.275 4.170 -0.000 0.000 0.285 98 I C 1.320 177.451 176.117 0.022 0.000 1.080 98 I CA 0.983 62.306 61.300 0.039 0.000 1.404 98 I CB 0.465 38.484 38.000 0.031 0.000 1.403 98 I HN 0.989 nan 8.210 nan 0.000 0.539 99 G N 4.635 113.442 108.800 0.012 0.000 2.213 99 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.236 99 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.236 99 G C 0.422 175.319 174.900 -0.006 0.000 0.991 99 G CA -0.184 44.915 45.100 -0.002 0.000 0.629 99 G HN 0.616 nan 8.290 nan 0.000 0.517 100 K N 1.349 121.758 120.400 0.016 0.000 2.416 100 K HA 0.419 4.739 4.320 -0.000 0.000 0.283 100 K C 0.522 177.146 176.600 0.041 0.000 1.037 100 K CA -0.112 56.190 56.287 0.026 0.000 0.995 100 K CB 0.190 32.717 32.500 0.045 0.000 0.938 100 K HN 0.368 nan 8.250 nan 0.000 0.475 101 R N 2.366 122.884 120.500 0.031 0.000 2.532 101 R HA 0.336 4.676 4.340 -0.000 0.000 0.295 101 R C -0.853 175.526 176.300 0.131 0.000 0.968 101 R CA -0.671 55.474 56.100 0.075 0.000 0.916 101 R CB 2.122 32.390 30.300 -0.053 0.000 1.124 101 R HN 0.539 nan 8.270 nan 0.000 0.463 102 T N 2.208 116.913 114.554 0.252 0.000 2.879 102 T HA 0.191 4.541 4.350 -0.000 0.000 0.290 102 T C -0.669 174.243 174.700 0.352 0.000 0.993 102 T CA -0.789 61.460 62.100 0.248 0.000 0.975 102 T CB 1.650 70.642 68.868 0.206 0.000 0.981 102 T HN 0.389 nan 8.240 nan 0.000 0.439 103 K N 2.134 122.732 120.400 0.330 0.000 2.436 103 K HA 0.379 4.699 4.320 -0.000 0.000 0.275 103 K C 0.076 176.948 176.600 0.454 0.000 0.999 103 K CA -0.359 56.158 56.287 0.383 0.000 0.980 103 K CB 0.064 32.768 32.500 0.340 0.000 0.919 103 K HN 0.850 nan 8.250 nan 0.000 0.484 104 C N 2.860 122.367 119.300 0.345 0.000 3.154 104 C HA 0.813 5.273 4.460 -0.000 0.000 0.312 104 C C -1.314 173.784 174.990 0.180 0.000 1.349 104 C CA -1.400 57.696 59.018 0.130 0.000 1.518 104 C CB 0.651 28.236 27.740 -0.257 0.000 1.934 104 C HN 0.805 nan 8.230 nan 0.000 0.462 105 L N 1.627 122.831 121.223 -0.032 0.000 2.406 105 L HA 0.724 5.064 4.340 -0.000 0.000 0.272 105 L C -0.232 176.486 176.870 -0.254 0.000 0.980 105 L CA 0.234 54.966 54.840 -0.180 0.000 0.831 105 L CB 1.864 43.824 42.059 -0.165 0.000 1.253 105 L HN 1.003 nan 8.230 nan 0.000 0.406 106 T N 4.764 119.085 114.554 -0.390 0.000 2.824 106 T HA 0.574 4.924 4.350 -0.000 0.000 0.280 106 T C -0.620 173.683 174.700 -0.661 0.000 0.995 106 T CA -0.470 61.270 62.100 -0.600 0.000 1.009 106 T CB 1.361 69.718 68.868 -0.853 0.000 0.955 106 T HN 0.583 nan 8.240 nan 0.000 0.452 107 R N 2.293 122.322 120.500 -0.785 0.000 2.451 107 R HA 0.521 4.861 4.340 -0.000 0.000 0.307 107 R C -1.399 174.439 176.300 -0.771 0.000 0.965 107 R CA -0.573 55.147 56.100 -0.634 0.000 0.865 107 R CB 0.583 30.639 30.300 -0.407 0.000 1.174 107 R HN 0.442 nan 8.270 nan 0.000 0.455 108 F N 1.758 121.372 119.950 -0.561 0.000 2.378 108 F HA 0.545 5.072 4.527 -0.000 0.000 0.325 108 F C 0.679 176.180 175.800 -0.498 0.000 1.097 108 F CA 0.009 57.571 58.000 -0.729 0.000 1.079 108 F CB 1.921 40.045 39.000 -1.460 0.000 1.240 108 F HN 0.626 nan 8.300 nan 0.000 0.519 109 S N -1.294 114.396 115.700 -0.016 0.000 2.636 109 S HA 0.630 5.100 4.470 -0.000 0.000 0.266 109 S C -0.685 174.104 174.600 0.314 0.000 1.147 109 S CA -0.734 57.576 58.200 0.185 0.000 0.815 109 S CB 1.179 64.513 63.200 0.224 0.000 1.119 109 S HN 0.762 nan 8.310 nan 0.000 0.470 110 T N -1.548 113.170 114.554 0.273 0.000 2.893 110 T HA 0.762 5.112 4.350 -0.000 0.000 0.281 110 T C 0.793 175.451 174.700 -0.068 0.000 1.027 110 T CA -0.076 62.131 62.100 0.178 0.000 0.953 110 T CB 0.521 69.515 68.868 0.210 0.000 1.434 110 T HN 0.704 nan 8.240 nan 0.000 0.597 111 V N -0.317 119.520 119.914 -0.129 0.000 3.001 111 V HA 0.325 4.445 4.120 -0.000 0.000 0.228 111 V C 2.711 178.729 176.094 -0.126 0.000 1.204 111 V CA 0.979 63.090 62.300 -0.315 0.000 1.247 111 V CB -0.949 30.773 31.823 -0.169 0.000 1.093 111 V HN 1.021 nan 8.190 nan 0.000 0.504 112 G N 0.298 109.050 108.800 -0.080 0.000 2.408 112 G HA2 0.089 4.049 3.960 -0.000 0.000 0.215 112 G HA3 0.089 4.049 3.960 -0.000 0.000 0.215 112 G C 0.921 175.796 174.900 -0.041 0.000 1.156 112 G CA 0.734 45.780 45.100 -0.090 0.000 0.793 112 G HN 0.618 nan 8.290 nan 0.000 0.535 113 G N 0.245 109.042 108.800 -0.005 0.000 2.544 113 G HA2 0.381 4.341 3.960 -0.000 0.000 0.242 113 G HA3 0.381 4.341 3.960 -0.000 0.000 0.242 113 G C -0.416 174.503 174.900 0.031 0.000 1.247 113 G CA -0.361 44.741 45.100 0.004 0.000 0.840 113 G HN 0.152 nan 8.290 nan 0.000 0.578 114 D N -0.044 120.364 120.400 0.014 0.000 2.393 114 D HA 0.039 4.679 4.640 -0.000 0.000 0.246 114 D C 1.493 177.836 176.300 0.071 0.000 1.275 114 D CA -0.360 53.664 54.000 0.040 0.000 0.979 114 D CB 0.954 41.764 40.800 0.018 0.000 1.101 114 D HN 0.475 nan 8.370 nan 0.000 0.505 115 K N 0.172 120.639 120.400 0.111 0.000 2.113 115 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 115 K C 1.525 178.207 176.600 0.136 0.000 1.047 115 K CA 1.645 58.043 56.287 0.185 0.000 0.928 115 K CB -0.332 32.266 32.500 0.163 0.000 0.716 115 K HN 0.469 nan 8.250 nan 0.000 0.446 116 G N 0.512 109.322 108.800 0.016 0.000 3.233 116 G HA2 0.009 3.968 3.960 -0.000 0.000 0.227 116 G HA3 0.009 3.968 3.960 -0.000 0.000 0.227 116 G C 0.056 174.841 174.900 -0.192 0.000 1.175 116 G CA 0.118 45.188 45.100 -0.051 0.000 0.781 116 G HN 0.396 nan 8.290 nan 0.000 0.542 117 S N -0.143 115.374 115.700 -0.305 0.000 2.614 117 S HA 0.677 5.147 4.470 -0.000 0.000 0.265 117 S C 0.554 174.884 174.600 -0.450 0.000 1.303 117 S CA -0.137 57.887 58.200 -0.292 0.000 1.000 117 S CB 1.638 64.733 63.200 -0.176 0.000 0.935 117 S HN 0.560 nan 8.310 nan 0.000 0.551 118 A N 0.726 123.429 122.820 -0.195 0.000 2.386 118 A HA 0.325 4.644 4.320 -0.000 0.000 0.248 118 A C 0.788 178.376 177.584 0.008 0.000 1.082 118 A CA -0.496 51.487 52.037 -0.090 0.000 0.789 118 A CB -0.179 18.801 19.000 -0.033 0.000 1.025 118 A HN 0.888 nan 8.150 nan 0.000 0.490 119 D N 0.314 120.785 120.400 0.118 0.000 2.149 119 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 119 D C 1.214 177.569 176.300 0.091 0.000 0.972 119 D CA 2.127 56.232 54.000 0.175 0.000 0.835 119 D CB -0.165 40.734 40.800 0.165 0.000 0.966 119 D HN 0.669 nan 8.370 nan 0.000 0.476 120 T N -0.226 114.359 114.554 0.051 0.000 3.629 120 T HA 0.431 4.781 4.350 -0.000 0.000 0.317 120 T C 0.279 174.985 174.700 0.010 0.000 1.690 120 T CA -0.703 61.404 62.100 0.013 0.000 1.276 120 T CB -0.451 68.387 68.868 -0.051 0.000 1.205 120 T HN -0.090 nan 8.240 nan 0.000 0.824 121 V N -0.590 119.343 119.914 0.031 0.000 3.019 121 V HA 0.697 4.817 4.120 -0.000 0.000 0.317 121 V C 0.158 176.271 176.094 0.032 0.000 1.094 121 V CA -1.916 60.400 62.300 0.026 0.000 1.000 121 V CB 1.654 33.493 31.823 0.026 0.000 1.060 121 V HN 0.638 nan 8.190 nan 0.000 0.443 122 R N 1.479 121.989 120.500 0.016 0.000 2.267 122 R HA 0.558 4.898 4.340 -0.000 0.000 0.319 122 R C -1.129 175.173 176.300 0.003 0.000 1.067 122 R CA 0.250 56.341 56.100 -0.014 0.000 0.936 122 R CB 0.068 30.319 30.300 -0.082 0.000 1.006 122 R HN 1.000 nan 8.270 nan 0.000 0.452 123 D N 3.643 124.066 120.400 0.039 0.000 2.742 123 D HA 0.264 4.904 4.640 -0.000 0.000 0.262 123 D C -2.853 173.534 176.300 0.144 0.000 1.240 123 D CA -1.370 52.686 54.000 0.094 0.000 0.752 123 D CB 2.036 42.893 40.800 0.096 0.000 1.290 123 D HN 0.269 nan 8.370 nan 0.000 0.420 124 P HA 0.247 nan 4.420 nan 0.000 0.269 124 P C -0.576 176.882 177.300 0.264 0.000 1.215 124 P CA -0.263 62.995 63.100 0.263 0.000 0.780 124 P CB 0.534 32.462 31.700 0.380 0.000 0.898 125 R N 1.248 121.937 120.500 0.314 0.000 2.514 125 R HA 0.558 4.898 4.340 -0.000 0.000 0.301 125 R C 0.436 176.981 176.300 0.408 0.000 0.962 125 R CA -0.690 55.626 56.100 0.360 0.000 0.882 125 R CB 1.425 31.968 30.300 0.406 0.000 1.143 125 R HN 0.597 nan 8.270 nan 0.000 0.452 126 G N 1.083 110.140 108.800 0.429 0.000 2.444 126 G HA2 0.375 4.335 3.960 -0.000 0.000 0.268 126 G HA3 0.375 4.335 3.960 -0.000 0.000 0.268 126 G C -1.084 173.953 174.900 0.227 0.000 1.203 126 G CA -0.034 45.274 45.100 0.347 0.000 0.835 126 G HN 0.394 nan 8.290 nan 0.000 0.543 127 F N 2.068 121.995 119.950 -0.037 0.000 2.931 127 F HA 0.598 5.125 4.527 -0.000 0.000 0.375 127 F C 0.023 175.598 175.800 -0.376 0.000 1.243 127 F CA -1.794 56.087 58.000 -0.198 0.000 1.206 127 F CB 0.760 39.764 39.000 0.007 0.000 1.643 127 F HN 0.636 nan 8.300 nan 0.000 0.593 128 A N 2.821 125.418 122.820 -0.372 0.000 2.260 128 A HA 0.756 5.075 4.320 -0.000 0.000 0.314 128 A C -0.277 176.871 177.584 -0.726 0.000 1.257 128 A CA -0.256 51.384 52.037 -0.662 0.000 0.871 128 A CB 0.509 18.767 19.000 -1.235 0.000 1.166 128 A HN 0.474 nan 8.150 nan 0.000 0.522 129 T N 2.277 116.562 114.554 -0.447 0.000 2.841 129 T HA 0.465 4.815 4.350 -0.000 0.000 0.283 129 T C -0.365 174.078 174.700 -0.428 0.000 1.000 129 T CA -0.549 61.264 62.100 -0.479 0.000 0.977 129 T CB 1.329 69.795 68.868 -0.670 0.000 0.979 129 T HN 0.655 nan 8.240 nan 0.000 0.446 130 K N 2.773 122.932 120.400 -0.402 0.000 2.274 130 K HA 0.571 4.891 4.320 -0.000 0.000 0.262 130 K C -1.518 174.622 176.600 -0.767 0.000 0.961 130 K CA -0.650 55.347 56.287 -0.483 0.000 0.833 130 K CB 0.635 32.831 32.500 -0.508 0.000 1.102 130 K HN 0.418 nan 8.250 nan 0.000 0.436 131 F N 3.611 123.253 119.950 -0.513 0.000 2.444 131 F HA 0.309 4.835 4.527 -0.000 0.000 0.342 131 F C -0.609 174.914 175.800 -0.461 0.000 1.121 131 F CA -0.795 56.950 58.000 -0.425 0.000 0.997 131 F CB 1.021 39.715 39.000 -0.509 0.000 1.130 131 F HN 0.407 nan 8.300 nan 0.000 0.454 132 Y N 1.604 121.892 120.300 -0.021 0.000 2.691 132 Y HA 0.288 4.837 4.550 -0.000 0.000 0.338 132 Y C 0.935 176.690 175.900 -0.242 0.000 1.148 132 Y CA -0.836 57.158 58.100 -0.177 0.000 1.430 132 Y CB -0.008 38.292 38.460 -0.267 0.000 1.303 132 Y HN 0.593 nan 8.280 nan 0.000 0.499 133 T N -2.534 111.950 114.554 -0.117 0.000 2.862 133 T HA 0.226 4.576 4.350 -0.000 0.000 0.276 133 T C 0.980 175.596 174.700 -0.140 0.000 0.974 133 T CA -0.726 61.286 62.100 -0.146 0.000 0.966 133 T CB 1.144 69.885 68.868 -0.212 0.000 1.072 133 T HN 0.605 nan 8.240 nan 0.000 0.538 134 E N -0.068 120.062 120.200 -0.117 0.000 2.338 134 E HA -0.048 4.301 4.350 -0.000 0.000 0.197 134 E C 1.090 177.651 176.600 -0.065 0.000 1.007 134 E CA 0.806 57.154 56.400 -0.085 0.000 0.849 134 E CB 0.047 29.709 29.700 -0.063 0.000 0.774 134 E HN 0.734 nan 8.360 nan 0.000 0.506 135 E N 0.323 120.478 120.200 -0.076 0.000 2.496 135 E HA 0.255 4.605 4.350 -0.000 0.000 0.200 135 E C 0.229 176.794 176.600 -0.058 0.000 1.016 135 E CA -0.115 56.252 56.400 -0.054 0.000 0.962 135 E CB 0.963 30.633 29.700 -0.050 0.000 1.071 135 E HN 0.219 nan 8.360 nan 0.000 0.457 136 G N 1.419 110.180 108.800 -0.064 0.000 2.655 136 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.680 136 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.680 136 G C -0.750 174.093 174.900 -0.096 0.000 1.302 136 G CA -1.077 43.991 45.100 -0.054 0.000 0.872 136 G HN 0.131 nan 8.290 nan 0.000 0.540 137 N N -0.464 118.177 118.700 -0.097 0.000 2.525 137 N HA 0.527 5.267 4.740 -0.000 0.000 0.271 137 N C -0.031 175.393 175.510 -0.144 0.000 1.194 137 N CA -0.225 52.725 53.050 -0.167 0.000 0.964 137 N CB 1.319 39.681 38.487 -0.208 0.000 1.126 137 N HN 0.629 nan 8.380 nan 0.000 0.452 138 L N 1.460 122.584 121.223 -0.165 0.000 2.349 138 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 138 L C -1.258 175.577 176.870 -0.058 0.000 0.996 138 L CA -0.677 54.085 54.840 -0.130 0.000 0.825 138 L CB 1.358 43.238 42.059 -0.298 0.000 1.243 138 L HN 0.352 nan 8.230 nan 0.000 0.412 139 D N 4.309 124.716 120.400 0.012 0.000 2.344 139 D HA 0.261 4.901 4.640 -0.000 0.000 0.239 139 D C -1.041 175.380 176.300 0.201 0.000 1.064 139 D CA 0.026 54.066 54.000 0.068 0.000 0.829 139 D CB 1.447 42.307 40.800 0.100 0.000 1.129 139 D HN 0.291 nan 8.370 nan 0.000 0.506 140 W N 2.684 123.888 121.300 -0.160 0.000 2.289 140 W HA 0.270 4.930 4.660 -0.000 0.000 0.342 140 W C -0.385 175.785 176.519 -0.583 0.000 0.958 140 W CA -0.885 56.151 57.345 -0.515 0.000 1.492 140 W CB 0.543 29.513 29.460 -0.817 0.000 1.336 140 W HN 0.015 nan 8.180 nan 0.000 0.371 141 V N 6.422 126.308 119.914 -0.048 0.000 2.267 141 V HA 0.108 4.228 4.120 -0.000 0.000 0.254 141 V C -0.160 176.050 176.094 0.193 0.000 1.144 141 V CA -0.488 61.784 62.300 -0.046 0.000 0.992 141 V CB -0.957 30.788 31.823 -0.130 0.000 1.199 141 V HN 0.114 nan 8.190 nan 0.000 0.493 142 Y N 1.824 122.082 120.300 -0.070 0.000 2.534 142 Y HA 0.599 5.148 4.550 -0.000 0.000 0.329 142 Y C 0.576 176.488 175.900 0.019 0.000 1.154 142 Y CA -2.047 56.015 58.100 -0.064 0.000 1.192 142 Y CB 1.396 39.767 38.460 -0.149 0.000 1.275 142 Y HN 0.407 nan 8.280 nan 0.000 0.491 143 N N -0.179 118.653 118.700 0.220 0.000 2.619 143 N HA 0.160 4.900 4.740 -0.000 0.000 0.294 143 N C 0.160 175.882 175.510 0.354 0.000 1.279 143 N CA -0.610 52.609 53.050 0.282 0.000 0.867 143 N CB 0.668 39.302 38.487 0.245 0.000 1.329 143 N HN 0.712 nan 8.380 nan 0.000 0.557 144 N N -1.970 116.969 118.700 0.400 0.000 2.313 144 N HA -0.009 4.731 4.740 -0.000 0.000 0.207 144 N C -0.357 175.449 175.510 0.493 0.000 1.141 144 N CA -0.113 53.221 53.050 0.473 0.000 0.830 144 N CB 0.453 39.199 38.487 0.431 0.000 1.008 144 N HN 0.237 nan 8.380 nan 0.000 0.481 145 T N -0.179 114.557 114.554 0.305 0.000 2.893 145 T HA 0.358 4.708 4.350 -0.000 0.000 0.291 145 T C -2.137 172.304 174.700 -0.432 0.000 1.028 145 T CA -2.211 59.859 62.100 -0.051 0.000 0.995 145 T CB 1.768 70.604 68.868 -0.054 0.000 1.051 145 T HN -0.192 nan 8.240 nan 0.000 0.470 146 P HA 0.047 nan 4.420 nan 0.000 0.219 146 P C 0.530 177.502 177.300 -0.547 0.000 1.150 146 P CA 0.614 63.142 63.100 -0.954 0.000 0.814 146 P CB -0.047 31.121 31.700 -0.886 0.000 0.787 147 V N -5.946 113.679 119.914 -0.481 0.000 3.221 147 V HA 0.711 4.830 4.120 -0.000 0.000 0.305 147 V C -0.539 175.445 176.094 -0.184 0.000 1.263 147 V CA -0.996 61.078 62.300 -0.376 0.000 1.048 147 V CB 1.410 32.917 31.823 -0.526 0.000 1.203 147 V HN -0.136 nan 8.190 nan 0.000 0.476 148 F N -1.854 117.873 119.950 -0.372 0.000 2.715 148 F HA 0.653 5.180 4.527 -0.000 0.000 0.318 148 F C 0.269 175.863 175.800 -0.342 0.000 1.141 148 F CA -1.476 56.336 58.000 -0.314 0.000 0.950 148 F CB 1.550 40.482 39.000 -0.115 0.000 1.374 148 F HN 0.405 nan 8.300 nan 0.000 0.477 149 F N 2.090 121.455 119.950 -0.976 0.000 2.325 149 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 149 F C 0.815 176.302 175.800 -0.521 0.000 1.090 149 F CA 1.073 58.562 58.000 -0.850 0.000 1.392 149 F CB -0.321 37.780 39.000 -1.499 0.000 1.053 149 F HN 0.177 nan 8.300 nan 0.000 0.521 150 I N -1.851 118.654 120.570 -0.107 0.000 2.892 150 I HA 0.511 4.681 4.170 -0.000 0.000 0.306 150 I C 0.548 176.722 176.117 0.096 0.000 1.078 150 I CA -1.059 60.257 61.300 0.027 0.000 1.032 150 I CB 2.418 40.497 38.000 0.131 0.000 1.229 150 I HN -0.010 nan 8.210 nan 0.000 0.435 151 R N 0.486 121.017 120.500 0.051 0.000 2.549 151 R HA 0.419 4.759 4.340 -0.000 0.000 0.344 151 R C -1.069 175.379 176.300 0.246 0.000 0.979 151 R CA -0.413 55.738 56.100 0.084 0.000 1.140 151 R CB 0.337 30.502 30.300 -0.225 0.000 1.377 151 R HN 0.587 nan 8.270 nan 0.000 0.541 152 D N 3.010 123.535 120.400 0.208 0.000 2.344 152 D HA 0.179 4.819 4.640 -0.000 0.000 0.239 152 D C -1.845 174.564 176.300 0.182 0.000 1.064 152 D CA -1.713 52.412 54.000 0.208 0.000 0.829 152 D CB 2.585 43.470 40.800 0.142 0.000 1.129 152 D HN -0.058 nan 8.370 nan 0.000 0.506 153 P HA -0.136 nan 4.420 nan 0.000 0.221 153 P C 1.243 178.647 177.300 0.173 0.000 1.150 153 P CA 0.761 63.954 63.100 0.155 0.000 0.800 153 P CB 0.330 32.087 31.700 0.095 0.000 0.787 154 S N -0.369 115.400 115.700 0.115 0.000 2.447 154 S HA -0.060 4.409 4.470 -0.000 0.000 0.233 154 S C 1.953 176.622 174.600 0.114 0.000 1.006 154 S CA 0.832 59.088 58.200 0.093 0.000 0.957 154 S CB -0.677 62.527 63.200 0.007 0.000 0.773 154 S HN 0.033 nan 8.310 nan 0.000 0.507 155 K N 0.460 120.938 120.400 0.131 0.000 2.296 155 K HA 0.266 4.586 4.320 -0.000 0.000 0.200 155 K C 1.396 178.156 176.600 0.266 0.000 1.048 155 K CA 0.403 56.796 56.287 0.177 0.000 0.966 155 K CB -0.473 32.166 32.500 0.230 0.000 0.754 155 K HN 0.390 nan 8.250 nan 0.000 0.466 156 F N 1.703 121.741 119.950 0.148 0.000 2.095 156 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 156 F C -1.193 174.615 175.800 0.014 0.000 1.104 156 F CA 1.095 59.186 58.000 0.152 0.000 1.232 156 F CB -0.877 38.222 39.000 0.165 0.000 0.987 156 F HN 0.053 nan 8.300 nan 0.000 0.475 157 P HA -0.195 nan 4.420 nan 0.000 0.215 157 P C 1.519 178.341 177.300 -0.796 0.000 1.157 157 P CA 2.033 64.874 63.100 -0.431 0.000 0.868 157 P CB -0.291 31.275 31.700 -0.223 0.000 0.788 158 H N -2.362 116.433 119.070 -0.457 0.000 2.321 158 H HA -0.143 4.412 4.556 -0.000 0.000 0.300 158 H C 2.038 176.928 175.328 -0.729 0.000 1.087 158 H CA 1.395 57.202 56.048 -0.401 0.000 1.319 158 H CB -0.828 28.887 29.762 -0.078 0.000 1.379 158 H HN 0.124 nan 8.280 nan 0.000 0.501 159 F N 1.853 121.244 119.950 -0.932 0.000 2.075 159 F HA -0.186 4.340 4.527 -0.000 0.000 0.297 159 F C 2.339 177.613 175.800 -0.876 0.000 1.113 159 F CA 0.904 58.144 58.000 -1.267 0.000 1.218 159 F CB -0.488 37.950 39.000 -0.937 0.000 0.984 159 F HN -0.041 nan 8.300 nan 0.000 0.472 160 I N 0.304 120.204 120.570 -1.118 0.000 2.361 160 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 160 I C 2.439 178.205 176.117 -0.585 0.000 1.133 160 I CA 1.560 62.284 61.300 -0.959 0.000 1.413 160 I CB -1.745 35.783 38.000 -0.787 0.000 1.073 160 I HN 0.356 nan 8.210 nan 0.000 0.424 161 H N 0.461 119.206 119.070 -0.542 0.000 2.352 161 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 161 H C 2.237 177.341 175.328 -0.372 0.000 1.097 161 H CA 1.875 57.695 56.048 -0.379 0.000 1.311 161 H CB 0.086 29.662 29.762 -0.310 0.000 1.377 161 H HN 0.425 nan 8.280 nan 0.000 0.504 162 T N -1.080 113.253 114.554 -0.367 0.000 2.995 162 T HA -0.081 4.268 4.350 -0.000 0.000 0.269 162 T C 1.745 176.243 174.700 -0.337 0.000 1.091 162 T CA 0.521 62.434 62.100 -0.311 0.000 1.128 162 T CB 0.120 68.787 68.868 -0.335 0.000 0.891 162 T HN 0.227 nan 8.240 nan 0.000 0.492 163 Q N 0.683 120.139 119.800 -0.574 0.000 2.389 163 Q HA 0.234 4.574 4.340 -0.000 0.000 0.204 163 Q C 1.340 177.215 176.000 -0.209 0.000 0.944 163 Q CA 0.684 56.218 55.803 -0.449 0.000 0.908 163 Q CB 0.196 28.477 28.738 -0.762 0.000 1.002 163 Q HN 0.641 nan 8.270 nan 0.000 0.493 164 K N 0.197 120.478 120.400 -0.199 0.000 4.085 164 K HA 0.327 4.647 4.320 -0.000 0.000 0.195 164 K C 0.231 176.782 176.600 -0.082 0.000 1.134 164 K CA -0.431 55.782 56.287 -0.123 0.000 1.809 164 K CB 0.494 32.917 32.500 -0.128 0.000 2.561 164 K HN -0.150 nan 8.250 nan 0.000 0.604 165 R N 1.589 122.039 120.500 -0.084 0.000 2.637 165 R HA 0.205 4.545 4.340 -0.000 0.000 0.291 165 R C -0.489 175.766 176.300 -0.075 0.000 0.963 165 R CA -0.793 55.267 56.100 -0.067 0.000 0.901 165 R CB 1.209 31.473 30.300 -0.060 0.000 1.160 165 R HN 0.424 nan 8.270 nan 0.000 0.457 166 N N 4.041 122.709 118.700 -0.054 0.000 2.357 166 N HA -0.051 4.689 4.740 -0.000 0.000 0.257 166 N C -1.422 174.050 175.510 -0.063 0.000 1.250 166 N CA -0.777 52.243 53.050 -0.050 0.000 0.862 166 N CB 0.898 39.367 38.487 -0.029 0.000 1.066 166 N HN 0.388 nan 8.380 nan 0.000 0.468 167 P HA -0.191 nan 4.420 nan 0.000 0.218 167 P C 0.954 178.219 177.300 -0.058 0.000 1.148 167 P CA 1.482 64.532 63.100 -0.083 0.000 0.822 167 P CB 0.397 32.042 31.700 -0.090 0.000 0.784 168 Q N -0.101 119.673 119.800 -0.043 0.000 2.159 168 Q HA -0.045 4.295 4.340 -0.000 0.000 0.194 168 Q C 2.229 178.212 176.000 -0.029 0.000 0.968 168 Q CA 1.760 57.544 55.803 -0.032 0.000 0.837 168 Q CB -0.320 28.403 28.738 -0.024 0.000 0.920 168 Q HN 0.208 nan 8.270 nan 0.000 0.485 169 T N -1.474 113.065 114.554 -0.027 0.000 3.035 169 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 169 T C 0.921 175.605 174.700 -0.027 0.000 1.109 169 T CA 0.886 62.972 62.100 -0.024 0.000 1.119 169 T CB -0.338 68.518 68.868 -0.020 0.000 0.900 169 T HN 0.609 nan 8.240 nan 0.000 0.503 170 N N 0.382 119.062 118.700 -0.034 0.000 2.708 170 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 170 N C -0.836 174.653 175.510 -0.035 0.000 1.123 170 N CA 0.263 53.290 53.050 -0.038 0.000 0.739 170 N CB -1.245 37.222 38.487 -0.033 0.000 1.113 170 N HN 0.559 nan 8.380 nan 0.000 0.561 171 L N 0.950 122.153 121.223 -0.034 0.000 2.344 171 L HA 0.463 4.802 4.340 -0.000 0.000 0.272 171 L C 0.888 177.737 176.870 -0.036 0.000 1.035 171 L CA -0.831 53.989 54.840 -0.034 0.000 0.807 171 L CB 1.271 43.311 42.059 -0.031 0.000 1.237 171 L HN -0.004 nan 8.230 nan 0.000 0.442 172 R N 1.200 121.676 120.500 -0.040 0.000 2.442 172 R HA 0.111 4.451 4.340 -0.000 0.000 0.291 172 R C -0.775 175.501 176.300 -0.041 0.000 1.069 172 R CA -0.237 55.840 56.100 -0.039 0.000 1.022 172 R CB 0.460 30.733 30.300 -0.046 0.000 0.976 172 R HN 0.462 nan 8.270 nan 0.000 0.443 173 D N 1.883 122.276 120.400 -0.011 0.000 2.425 173 D HA 0.199 4.839 4.640 -0.000 0.000 0.240 173 D C 0.431 176.764 176.300 0.056 0.000 1.080 173 D CA -0.305 53.701 54.000 0.010 0.000 0.836 173 D CB 1.823 42.635 40.800 0.020 0.000 1.125 173 D HN 0.559 nan 8.370 nan 0.000 0.525 174 A N 4.040 126.877 122.820 0.027 0.000 2.015 174 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 174 A C 1.571 179.333 177.584 0.298 0.000 1.163 174 A CA 1.090 53.198 52.037 0.119 0.000 0.646 174 A CB 0.019 19.055 19.000 0.060 0.000 0.806 174 A HN 0.574 nan 8.150 nan 0.000 0.448 175 D N 0.015 120.533 120.400 0.197 0.000 2.097 175 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 175 D C 2.077 178.511 176.300 0.224 0.000 0.984 175 D CA 1.533 55.656 54.000 0.204 0.000 0.826 175 D CB -0.368 40.503 40.800 0.119 0.000 0.973 175 D HN 0.501 nan 8.370 nan 0.000 0.460 176 M N -0.151 119.553 119.600 0.173 0.000 2.080 176 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 176 M C 2.260 178.677 176.300 0.196 0.000 1.068 176 M CA 1.150 56.541 55.300 0.151 0.000 1.109 176 M CB -0.500 32.147 32.600 0.078 0.000 1.342 176 M HN -0.058 nan 8.290 nan 0.000 0.405 177 F N 0.022 119.974 119.950 0.004 0.000 2.043 177 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 177 F C 1.759 177.508 175.800 -0.085 0.000 1.121 177 F CA 1.851 59.780 58.000 -0.117 0.000 1.199 177 F CB -0.527 38.367 39.000 -0.176 0.000 0.968 177 F HN 0.082 nan 8.300 nan 0.000 0.478 178 W N -0.008 121.599 121.300 0.511 0.000 2.658 178 W HA -0.031 4.629 4.660 -0.000 0.000 0.263 178 W C 2.212 178.845 176.519 0.189 0.000 1.274 178 W CA 0.600 58.151 57.345 0.343 0.000 1.343 178 W CB -0.362 29.261 29.460 0.272 0.000 1.106 178 W HN 0.042 nan 8.180 nan 0.000 0.615 179 D N -0.062 120.553 120.400 0.359 0.000 2.117 179 D HA -0.230 4.409 4.640 -0.000 0.000 0.198 179 D C 1.820 178.238 176.300 0.195 0.000 0.982 179 D CA 1.186 55.325 54.000 0.232 0.000 0.828 179 D CB -0.370 40.543 40.800 0.187 0.000 0.967 179 D HN 0.070 nan 8.370 nan 0.000 0.464 180 F N 0.811 120.811 119.950 0.083 0.000 2.075 180 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 180 F C 2.038 177.868 175.800 0.049 0.000 1.113 180 F CA 1.315 59.344 58.000 0.049 0.000 1.218 180 F CB -0.320 38.687 39.000 0.012 0.000 0.984 180 F HN -0.043 nan 8.300 nan 0.000 0.472 181 L N -0.193 121.127 121.223 0.161 0.000 2.191 181 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 181 L C 2.146 179.045 176.870 0.048 0.000 1.103 181 L CA 1.716 56.609 54.840 0.088 0.000 0.769 181 L CB -1.087 41.075 42.059 0.172 0.000 0.908 181 L HN 0.366 nan 8.230 nan 0.000 0.438 182 T N -5.763 108.851 114.554 0.100 0.000 3.086 182 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 182 T C 0.839 175.532 174.700 -0.012 0.000 1.074 182 T CA -0.220 61.915 62.100 0.058 0.000 0.988 182 T CB -0.358 68.569 68.868 0.099 0.000 0.988 182 T HN 0.002 nan 8.240 nan 0.000 0.530 183 T N 4.549 119.058 114.554 -0.075 0.000 2.867 183 T HA 0.141 4.490 4.350 -0.000 0.000 0.297 183 T C -1.500 173.138 174.700 -0.103 0.000 0.989 183 T CA -0.808 61.231 62.100 -0.102 0.000 1.159 183 T CB 1.172 69.929 68.868 -0.186 0.000 0.928 183 T HN 0.087 nan 8.240 nan 0.000 0.538 184 P HA -0.212 nan 4.420 nan 0.000 0.216 184 P C 1.673 178.940 177.300 -0.055 0.000 1.157 184 P CA 1.037 64.114 63.100 -0.039 0.000 0.880 184 P CB 0.120 31.802 31.700 -0.030 0.000 0.791 185 E N -1.249 118.905 120.200 -0.076 0.000 2.409 185 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 185 E C 0.725 177.268 176.600 -0.095 0.000 1.024 185 E CA 1.015 57.366 56.400 -0.083 0.000 0.861 185 E CB -0.909 28.764 29.700 -0.045 0.000 0.788 185 E HN 0.318 nan 8.360 nan 0.000 0.521 186 N N 0.798 119.392 118.700 -0.177 0.000 2.236 186 N HA 0.027 4.767 4.740 -0.000 0.000 0.196 186 N C 1.186 176.571 175.510 -0.207 0.000 1.114 186 N CA 0.119 53.010 53.050 -0.265 0.000 0.859 186 N CB 0.316 38.438 38.487 -0.607 0.000 0.982 186 N HN 0.286 nan 8.380 nan 0.000 0.493 187 Q N 0.269 119.984 119.800 -0.142 0.000 2.500 187 Q HA 0.023 4.363 4.340 -0.000 0.000 0.213 187 Q C 1.565 177.406 176.000 -0.266 0.000 0.974 187 Q CA 0.259 55.994 55.803 -0.113 0.000 0.918 187 Q CB 0.110 28.885 28.738 0.063 0.000 0.980 187 Q HN 0.090 nan 8.270 nan 0.000 0.505 188 V N 0.602 120.349 119.914 -0.277 0.000 3.026 188 V HA -0.196 3.924 4.120 -0.000 0.000 0.265 188 V C 1.875 177.781 176.094 -0.314 0.000 1.121 188 V CA 1.486 63.574 62.300 -0.354 0.000 1.142 188 V CB -0.434 31.211 31.823 -0.296 0.000 0.730 188 V HN 0.414 nan 8.190 nan 0.000 0.503 189 A N -0.279 122.398 122.820 -0.239 0.000 2.172 189 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 189 A C 2.109 179.582 177.584 -0.185 0.000 1.154 189 A CA 1.192 53.116 52.037 -0.189 0.000 0.701 189 A CB -0.491 18.470 19.000 -0.065 0.000 0.789 189 A HN 0.470 nan 8.150 nan 0.000 0.465 190 I N -0.129 120.300 120.570 -0.236 0.000 2.264 190 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 190 I C 2.078 178.145 176.117 -0.083 0.000 1.111 190 I CA 2.060 63.243 61.300 -0.195 0.000 1.382 190 I CB -1.057 36.721 38.000 -0.369 0.000 1.060 190 I HN 0.668 nan 8.210 nan 0.000 0.418 191 H N -0.374 118.549 119.070 -0.245 0.000 2.353 191 H HA -0.248 4.308 4.556 -0.000 0.000 0.300 191 H C 2.212 177.434 175.328 -0.176 0.000 1.090 191 H CA 1.652 57.589 56.048 -0.184 0.000 1.327 191 H CB 0.343 29.965 29.762 -0.234 0.000 1.383 191 H HN 0.271 nan 8.280 nan 0.000 0.508 192 Q N 0.636 120.265 119.800 -0.284 0.000 2.123 192 Q HA -0.075 4.265 4.340 -0.000 0.000 0.199 192 Q C 2.319 178.123 176.000 -0.328 0.000 0.966 192 Q CA 1.400 56.898 55.803 -0.509 0.000 0.845 192 Q CB -0.294 27.877 28.738 -0.945 0.000 0.907 192 Q HN 0.354 nan 8.270 nan 0.000 0.439 193 V N 0.349 120.213 119.914 -0.084 0.000 2.407 193 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 193 V C 2.242 178.602 176.094 0.443 0.000 1.055 193 V CA 1.665 64.137 62.300 0.288 0.000 1.049 193 V CB -0.541 31.503 31.823 0.368 0.000 0.662 193 V HN 0.438 nan 8.190 nan 0.000 0.455 194 M N -0.892 118.899 119.600 0.317 0.000 2.132 194 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 194 M C 2.211 178.668 176.300 0.262 0.000 1.065 194 M CA 1.964 57.475 55.300 0.351 0.000 1.122 194 M CB -0.830 31.950 32.600 0.299 0.000 1.365 194 M HN 0.289 nan 8.290 nan 0.000 0.411 195 I N 0.020 120.666 120.570 0.128 0.000 2.315 195 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 195 I C 2.414 178.575 176.117 0.072 0.000 1.117 195 I CA 0.640 61.980 61.300 0.067 0.000 1.404 195 I CB -0.427 37.533 38.000 -0.067 0.000 1.071 195 I HN 0.189 nan 8.210 nan 0.000 0.419 196 L N 0.409 121.660 121.223 0.047 0.000 2.046 196 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 196 L C 1.808 178.618 176.870 -0.100 0.000 1.077 196 L CA 2.036 56.863 54.840 -0.021 0.000 0.747 196 L CB -0.565 41.486 42.059 -0.013 0.000 0.896 196 L HN 0.049 nan 8.230 nan 0.000 0.432 197 F N -0.381 119.677 119.950 0.179 0.000 2.773 197 F HA 0.177 4.704 4.527 -0.000 0.000 0.304 197 F C 1.608 177.497 175.800 0.149 0.000 1.129 197 F CA 0.196 58.301 58.000 0.174 0.000 1.378 197 F CB -0.578 38.551 39.000 0.216 0.000 1.095 197 F HN 0.166 nan 8.300 nan 0.000 0.565 198 S N -1.247 114.602 115.700 0.249 0.000 2.681 198 S HA 0.105 4.575 4.470 -0.000 0.000 0.270 198 S C 0.955 175.644 174.600 0.147 0.000 1.209 198 S CA -0.705 57.614 58.200 0.198 0.000 0.988 198 S CB 0.828 64.131 63.200 0.171 0.000 1.006 198 S HN 0.076 nan 8.310 nan 0.000 0.558 199 D N 0.136 120.614 120.400 0.130 0.000 2.371 199 D HA 0.030 4.670 4.640 -0.000 0.000 0.221 199 D C 1.724 178.077 176.300 0.088 0.000 0.986 199 D CA 0.338 54.400 54.000 0.104 0.000 0.899 199 D CB -0.106 40.750 40.800 0.093 0.000 0.902 199 D HN 0.379 nan 8.370 nan 0.000 0.530 200 R N 0.143 120.701 120.500 0.097 0.000 2.189 200 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 200 R C 2.052 178.408 176.300 0.093 0.000 1.092 200 R CA 0.707 56.866 56.100 0.098 0.000 0.989 200 R CB -0.711 29.656 30.300 0.112 0.000 0.876 200 R HN 0.157 nan 8.270 nan 0.000 0.457 201 G N 0.771 109.614 108.800 0.072 0.000 2.598 201 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 201 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 201 G C 0.418 175.346 174.900 0.047 0.000 1.131 201 G CA 0.865 45.991 45.100 0.042 0.000 0.785 201 G HN 0.362 nan 8.290 nan 0.000 0.539 202 T N -0.091 114.496 114.554 0.056 0.000 3.410 202 T HA 0.486 4.836 4.350 -0.000 0.000 0.328 202 T C -2.919 171.811 174.700 0.049 0.000 1.567 202 T CA -1.867 60.261 62.100 0.048 0.000 1.626 202 T CB 2.335 71.227 68.868 0.040 0.000 0.939 202 T HN -0.023 nan 8.240 nan 0.000 0.656 203 P HA 0.243 nan 4.420 nan 0.000 0.269 203 P C 1.059 178.379 177.300 0.033 0.000 1.215 203 P CA -0.251 62.879 63.100 0.051 0.000 0.780 203 P CB 0.908 32.651 31.700 0.071 0.000 0.898 204 A N 3.078 125.923 122.820 0.042 0.000 1.972 204 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 204 A C 0.758 178.403 177.584 0.101 0.000 1.169 204 A CA 1.872 53.955 52.037 0.078 0.000 0.635 204 A CB -1.016 18.026 19.000 0.069 0.000 0.810 204 A HN 0.872 nan 8.150 nan 0.000 0.446 205 N N -5.905 112.784 118.700 -0.017 0.000 3.355 205 N HA 0.247 4.986 4.740 -0.000 0.000 0.238 205 N C -0.282 175.133 175.510 -0.158 0.000 1.466 205 N CA -0.554 52.399 53.050 -0.161 0.000 0.882 205 N CB -0.109 38.293 38.487 -0.142 0.000 1.406 205 N HN -0.162 nan 8.380 nan 0.000 0.500 206 Y N -0.263 119.922 120.300 -0.190 0.000 2.403 206 Y HA 0.093 4.643 4.550 -0.000 0.000 0.291 206 Y C 1.890 177.615 175.900 -0.291 0.000 1.143 206 Y CA 0.833 58.663 58.100 -0.451 0.000 1.257 206 Y CB -0.219 37.639 38.460 -1.004 0.000 0.984 206 Y HN 0.448 nan 8.280 nan 0.000 0.550 207 R N -0.287 120.215 120.500 0.003 0.000 2.240 207 R HA 0.025 4.365 4.340 -0.000 0.000 0.203 207 R C 0.825 177.101 176.300 -0.040 0.000 1.011 207 R CA 1.025 57.124 56.100 -0.001 0.000 1.007 207 R CB -0.047 30.207 30.300 -0.076 0.000 0.911 207 R HN 0.193 nan 8.270 nan 0.000 0.468 208 S N 0.459 116.169 115.700 0.017 0.000 2.383 208 S HA 0.381 4.851 4.470 -0.000 0.000 0.227 208 S C 0.010 174.639 174.600 0.048 0.000 1.261 208 S CA -0.913 57.291 58.200 0.007 0.000 1.262 208 S CB -0.162 63.029 63.200 -0.015 0.000 0.992 208 S HN 0.180 nan 8.310 nan 0.000 0.491 209 M N -0.500 119.203 119.600 0.171 0.000 2.569 209 M HA 0.663 5.143 4.480 -0.000 0.000 0.279 209 M C -1.461 175.091 176.300 0.419 0.000 1.253 209 M CA -0.759 54.656 55.300 0.190 0.000 0.867 209 M CB 1.237 33.997 32.600 0.265 0.000 1.727 209 M HN 0.001 nan 8.290 nan 0.000 0.467 210 H N 0.010 119.336 119.070 0.427 0.000 2.499 210 H HA 0.814 5.370 4.556 -0.000 0.000 0.352 210 H C -0.302 175.166 175.328 0.235 0.000 1.237 210 H CA -0.402 55.830 56.048 0.306 0.000 1.343 210 H CB 1.726 31.469 29.762 -0.032 0.000 1.578 210 H HN 0.950 nan 8.280 nan 0.000 0.577 211 G N 0.038 108.824 108.800 -0.024 0.000 2.542 211 G HA2 0.515 4.475 3.960 -0.000 0.000 0.311 211 G HA3 0.515 4.475 3.960 -0.000 0.000 0.311 211 G C -1.820 172.777 174.900 -0.505 0.000 1.298 211 G CA -0.388 44.575 45.100 -0.230 0.000 0.973 211 G HN 0.377 nan 8.290 nan 0.000 0.487 212 Y N 0.345 120.524 120.300 -0.201 0.000 2.534 212 Y HA 0.444 4.994 4.550 -0.000 0.000 0.345 212 Y C 1.344 176.656 175.900 -0.979 0.000 1.031 212 Y CA -0.692 57.091 58.100 -0.528 0.000 1.022 212 Y CB 2.386 40.583 38.460 -0.438 0.000 1.292 212 Y HN 0.542 nan 8.280 nan 0.000 0.459 213 S N 1.459 116.438 115.700 -1.202 0.000 2.370 213 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 213 S C 1.867 176.086 174.600 -0.636 0.000 1.033 213 S CA 2.290 59.668 58.200 -1.369 0.000 1.011 213 S CB -0.772 61.874 63.200 -0.924 0.000 0.852 213 S HN 1.355 nan 8.310 nan 0.000 0.457 214 G N 1.379 109.863 108.800 -0.527 0.000 4.655 214 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 214 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 214 G C 0.137 174.773 174.900 -0.441 0.000 1.403 214 G CA 0.404 45.205 45.100 -0.498 0.000 0.931 214 G HN 0.676 nan 8.290 nan 0.000 0.654 215 H N 1.594 120.565 119.070 -0.164 0.000 2.603 215 H HA 0.496 5.052 4.556 -0.000 0.000 0.370 215 H C 0.252 175.515 175.328 -0.108 0.000 1.225 215 H CA 0.779 56.750 56.048 -0.128 0.000 1.410 215 H CB 0.243 29.893 29.762 -0.187 0.000 1.495 215 H HN 0.345 nan 8.280 nan 0.000 0.602 216 T N 2.007 116.608 114.554 0.078 0.000 2.856 216 T HA 0.283 4.633 4.350 -0.000 0.000 0.292 216 T C -0.332 174.477 174.700 0.182 0.000 0.980 216 T CA -0.126 62.044 62.100 0.116 0.000 1.091 216 T CB 0.102 69.099 68.868 0.216 0.000 0.936 216 T HN 0.286 nan 8.240 nan 0.000 0.503 217 Y N 0.843 121.223 120.300 0.134 0.000 2.630 217 Y HA 0.508 5.058 4.550 -0.000 0.000 0.337 217 Y C 0.488 176.591 175.900 0.339 0.000 1.051 217 Y CA -1.246 56.992 58.100 0.231 0.000 1.121 217 Y CB 1.610 40.201 38.460 0.218 0.000 1.299 217 Y HN 0.368 nan 8.280 nan 0.000 0.498 218 K N 1.589 122.347 120.400 0.596 0.000 2.425 218 K HA 0.275 4.595 4.320 -0.000 0.000 0.259 218 K C -1.787 175.256 176.600 0.738 0.000 0.978 218 K CA -0.522 56.099 56.287 0.557 0.000 0.883 218 K CB 1.021 33.711 32.500 0.318 0.000 1.110 218 K HN 0.415 nan 8.250 nan 0.000 0.436 219 W N 1.438 122.982 121.300 0.407 0.000 2.551 219 W HA 0.361 5.021 4.660 -0.000 0.000 0.330 219 W C 0.204 176.975 176.519 0.420 0.000 1.063 219 W CA -0.946 56.624 57.345 0.376 0.000 1.222 219 W CB 1.573 31.217 29.460 0.306 0.000 1.349 219 W HN 0.491 nan 8.180 nan 0.000 0.536 220 S N 1.616 117.691 115.700 0.625 0.000 2.570 220 S HA 0.621 5.091 4.470 -0.000 0.000 0.286 220 S C -0.420 174.433 174.600 0.421 0.000 1.099 220 S CA -1.038 57.507 58.200 0.576 0.000 0.913 220 S CB 1.935 65.542 63.200 0.680 0.000 1.085 220 S HN 0.434 nan 8.310 nan 0.000 0.480 221 N N 0.715 119.592 118.700 0.295 0.000 2.405 221 N HA 0.336 5.076 4.740 -0.000 0.000 0.269 221 N C 0.219 175.754 175.510 0.042 0.000 1.249 221 N CA -0.892 52.205 53.050 0.078 0.000 0.974 221 N CB 0.101 38.646 38.487 0.097 0.000 1.204 221 N HN 0.684 nan 8.380 nan 0.000 0.565 222 K N -1.080 119.258 120.400 -0.103 0.000 2.442 222 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 222 K C 0.200 176.861 176.600 0.101 0.000 1.042 222 K CA 0.577 56.867 56.287 0.005 0.000 0.958 222 K CB -0.119 32.336 32.500 -0.074 0.000 0.766 222 K HN 0.425 nan 8.250 nan 0.000 0.474 223 N N -0.178 118.580 118.700 0.097 0.000 2.322 223 N HA 0.026 4.766 4.740 -0.000 0.000 0.194 223 N C 0.730 176.319 175.510 0.133 0.000 1.126 223 N CA 0.769 53.878 53.050 0.099 0.000 0.845 223 N CB 1.249 39.785 38.487 0.082 0.000 0.976 223 N HN 0.311 nan 8.380 nan 0.000 0.475 224 G N 0.644 109.552 108.800 0.180 0.000 2.159 224 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.256 224 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.256 224 G C -0.511 174.627 174.900 0.396 0.000 0.977 224 G CA -0.140 45.096 45.100 0.228 0.000 0.652 224 G HN 0.274 nan 8.290 nan 0.000 0.531 225 D N 0.760 121.346 120.400 0.309 0.000 2.256 225 D HA 0.503 5.143 4.640 -0.000 0.000 0.250 225 D C 0.829 177.367 176.300 0.395 0.000 1.093 225 D CA 0.307 54.471 54.000 0.272 0.000 0.882 225 D CB 0.831 41.721 40.800 0.152 0.000 1.185 225 D HN 0.545 nan 8.370 nan 0.000 0.437 226 W N 1.190 122.550 121.300 0.100 0.000 2.975 226 W HA 0.579 5.239 4.660 -0.000 0.000 0.342 226 W C -1.364 175.114 176.519 -0.068 0.000 1.168 226 W CA -0.806 56.610 57.345 0.118 0.000 1.141 226 W CB 0.435 29.913 29.460 0.030 0.000 1.445 226 W HN 0.291 nan 8.180 nan 0.000 0.560 227 H N -0.386 118.803 119.070 0.198 0.000 2.930 227 H HA 0.356 4.912 4.556 -0.000 0.000 0.371 227 H C -1.284 174.166 175.328 0.203 0.000 1.169 227 H CA -0.646 55.396 56.048 -0.009 0.000 1.157 227 H CB 1.767 31.562 29.762 0.056 0.000 1.789 227 H HN 0.198 nan 8.280 nan 0.000 0.547 228 Y N 0.981 121.478 120.300 0.329 0.000 2.377 228 Y HA 0.390 4.939 4.550 -0.000 0.000 0.330 228 Y C 0.101 176.217 175.900 0.360 0.000 1.108 228 Y CA -0.118 58.211 58.100 0.381 0.000 1.308 228 Y CB 0.571 39.216 38.460 0.308 0.000 1.216 228 Y HN 0.239 nan 8.280 nan 0.000 0.518 229 V N 4.104 124.222 119.914 0.341 0.000 2.823 229 V HA 0.460 4.580 4.120 -0.000 0.000 0.312 229 V C -0.681 175.254 176.094 -0.265 0.000 1.072 229 V CA -1.096 61.157 62.300 -0.078 0.000 0.937 229 V CB 2.209 33.591 31.823 -0.735 0.000 1.013 229 V HN 0.644 nan 8.190 nan 0.000 0.430 230 Q N 1.937 121.479 119.800 -0.430 0.000 2.323 230 Q HA 0.635 4.975 4.340 -0.000 0.000 0.271 230 Q C -1.592 174.178 176.000 -0.384 0.000 1.048 230 Q CA -0.632 54.844 55.803 -0.545 0.000 0.792 230 Q CB 2.994 31.217 28.738 -0.859 0.000 1.280 230 Q HN 0.550 nan 8.270 nan 0.000 0.441 231 V N 2.499 122.116 119.914 -0.495 0.000 2.532 231 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 231 V C -0.407 175.478 176.094 -0.349 0.000 1.041 231 V CA -0.571 61.508 62.300 -0.369 0.000 0.926 231 V CB 1.422 32.913 31.823 -0.554 0.000 0.992 231 V HN 0.690 nan 8.190 nan 0.000 0.457 232 H N 4.763 123.749 119.070 -0.139 0.000 2.658 232 H HA 0.505 5.061 4.556 -0.000 0.000 0.337 232 H C -0.959 174.349 175.328 -0.034 0.000 1.009 232 H CA -0.482 55.483 56.048 -0.140 0.000 1.231 232 H CB 2.215 31.951 29.762 -0.044 0.000 1.508 232 H HN 0.466 nan 8.280 nan 0.000 0.517 233 I N 4.552 125.077 120.570 -0.075 0.000 2.388 233 I HA 0.122 4.292 4.170 -0.000 0.000 0.281 233 I C -0.240 176.015 176.117 0.231 0.000 1.046 233 I CA -0.734 60.614 61.300 0.080 0.000 1.187 233 I CB 0.549 38.430 38.000 -0.198 0.000 1.351 233 I HN 0.171 nan 8.210 nan 0.000 0.472 234 K N 3.590 124.201 120.400 0.351 0.000 2.201 234 K HA 0.252 4.572 4.320 -0.000 0.000 0.278 234 K C 0.153 177.118 176.600 0.608 0.000 1.027 234 K CA -0.409 56.091 56.287 0.355 0.000 0.909 234 K CB 1.689 34.311 32.500 0.203 0.000 1.062 234 K HN 0.402 nan 8.250 nan 0.000 0.465 235 T N 1.836 116.802 114.554 0.687 0.000 2.870 235 T HA 0.023 4.373 4.350 -0.000 0.000 0.300 235 T C 0.525 175.243 174.700 0.031 0.000 0.989 235 T CA -0.260 61.885 62.100 0.074 0.000 1.139 235 T CB 0.168 69.049 68.868 0.022 0.000 0.920 235 T HN 0.304 nan 8.240 nan 0.000 0.537 236 D N 3.711 124.029 120.400 -0.138 0.000 2.323 236 D HA 0.003 4.643 4.640 -0.000 0.000 0.209 236 D C 1.794 178.046 176.300 -0.079 0.000 0.973 236 D CA 0.720 54.688 54.000 -0.053 0.000 0.874 236 D CB 0.250 41.018 40.800 -0.054 0.000 0.930 236 D HN 0.584 nan 8.370 nan 0.000 0.521 237 Q N 0.168 119.871 119.800 -0.161 0.000 2.389 237 Q HA 0.292 4.632 4.340 -0.000 0.000 0.204 237 Q C 0.873 176.841 176.000 -0.052 0.000 0.944 237 Q CA 0.533 56.266 55.803 -0.116 0.000 0.908 237 Q CB 0.338 28.975 28.738 -0.170 0.000 1.002 237 Q HN 0.217 nan 8.270 nan 0.000 0.493 238 G N 0.196 108.982 108.800 -0.023 0.000 2.692 238 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 238 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 238 G C -0.817 174.079 174.900 -0.007 0.000 1.243 238 G CA -0.943 44.168 45.100 0.019 0.000 0.782 238 G HN 0.051 nan 8.290 nan 0.000 0.625 239 I N 1.445 122.012 120.570 -0.005 0.000 2.533 239 I HA 0.320 4.490 4.170 -0.000 0.000 0.284 239 I C 0.743 176.863 176.117 0.005 0.000 1.109 239 I CA 0.574 61.853 61.300 -0.034 0.000 1.412 239 I CB 1.087 39.068 38.000 -0.031 0.000 1.396 239 I HN 0.617 nan 8.210 nan 0.000 0.543 240 K N 6.536 126.940 120.400 0.007 0.000 2.482 240 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 240 K C -1.140 175.479 176.600 0.031 0.000 0.936 240 K CA -0.639 55.661 56.287 0.021 0.000 0.791 240 K CB 1.815 34.325 32.500 0.017 0.000 1.213 240 K HN 0.545 nan 8.250 nan 0.000 0.428 241 N N 3.354 122.076 118.700 0.037 0.000 2.380 241 N HA 0.495 5.235 4.740 -0.000 0.000 0.290 241 N C -0.870 174.662 175.510 0.036 0.000 1.236 241 N CA -0.606 52.470 53.050 0.042 0.000 0.780 241 N CB 1.506 40.024 38.487 0.053 0.000 1.438 241 N HN 0.387 nan 8.380 nan 0.000 0.491 242 L N 0.415 121.657 121.223 0.032 0.000 2.352 242 L HA 0.491 4.831 4.340 -0.000 0.000 0.269 242 L C 1.136 178.026 176.870 0.034 0.000 1.034 242 L CA -0.806 54.044 54.840 0.017 0.000 0.806 242 L CB 1.504 43.556 42.059 -0.010 0.000 1.244 242 L HN 0.631 nan 8.230 nan 0.000 0.447 243 T N -2.169 112.404 114.554 0.032 0.000 2.847 243 T HA 0.194 4.544 4.350 -0.000 0.000 0.279 243 T C 0.901 175.644 174.700 0.071 0.000 0.984 243 T CA -0.557 61.579 62.100 0.060 0.000 0.988 243 T CB 1.287 70.183 68.868 0.047 0.000 1.040 243 T HN 0.449 nan 8.240 nan 0.000 0.528 244 I N 0.731 121.375 120.570 0.123 0.000 2.394 244 I HA -0.002 4.168 4.170 -0.000 0.000 0.251 244 I C 2.139 178.313 176.117 0.095 0.000 1.136 244 I CA 1.365 62.736 61.300 0.118 0.000 1.425 244 I CB -0.759 37.343 38.000 0.170 0.000 1.079 244 I HN 0.787 nan 8.210 nan 0.000 0.425 245 E N 0.390 120.655 120.200 0.108 0.000 2.072 245 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 245 E C 2.096 178.707 176.600 0.019 0.000 0.985 245 E CA 1.531 57.973 56.400 0.070 0.000 0.801 245 E CB -0.242 29.494 29.700 0.061 0.000 0.750 245 E HN 0.552 nan 8.360 nan 0.000 0.452 246 E N 0.506 120.708 120.200 0.002 0.000 2.051 246 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 246 E C 2.122 178.680 176.600 -0.071 0.000 0.991 246 E CA 0.990 57.366 56.400 -0.040 0.000 0.799 246 E CB -0.194 29.478 29.700 -0.047 0.000 0.748 246 E HN 0.279 nan 8.360 nan 0.000 0.449 247 A N 0.903 123.695 122.820 -0.047 0.000 1.933 247 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 247 A C 2.356 179.911 177.584 -0.049 0.000 1.175 247 A CA 1.818 53.819 52.037 -0.060 0.000 0.628 247 A CB -0.766 18.224 19.000 -0.017 0.000 0.814 247 A HN 0.171 nan 8.150 nan 0.000 0.444 248 T N -0.135 114.408 114.554 -0.019 0.000 2.821 248 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 248 T C 1.914 176.597 174.700 -0.028 0.000 1.046 248 T CA 1.660 63.752 62.100 -0.014 0.000 1.139 248 T CB -0.147 68.725 68.868 0.008 0.000 0.871 248 T HN 0.545 nan 8.240 nan 0.000 0.454 249 K N 0.655 121.034 120.400 -0.036 0.000 2.057 249 K HA 0.090 4.410 4.320 -0.000 0.000 0.206 249 K C 2.102 178.662 176.600 -0.067 0.000 1.050 249 K CA 1.050 57.311 56.287 -0.043 0.000 0.935 249 K CB -0.214 32.261 32.500 -0.043 0.000 0.715 249 K HN 0.329 nan 8.250 nan 0.000 0.439 250 I N 0.762 121.264 120.570 -0.114 0.000 2.546 250 I HA -0.177 3.993 4.170 -0.000 0.000 0.255 250 I C 2.343 178.407 176.117 -0.089 0.000 1.163 250 I CA 0.507 61.711 61.300 -0.159 0.000 1.457 250 I CB -0.288 37.494 38.000 -0.363 0.000 1.092 250 I HN 0.121 nan 8.210 nan 0.000 0.434 251 A N 1.049 123.831 122.820 -0.063 0.000 1.933 251 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 251 A C 2.398 179.968 177.584 -0.022 0.000 1.175 251 A CA 1.989 54.007 52.037 -0.032 0.000 0.628 251 A CB -1.147 17.837 19.000 -0.027 0.000 0.814 251 A HN 0.454 nan 8.150 nan 0.000 0.444 252 G N -1.384 107.401 108.800 -0.024 0.000 2.411 252 G HA2 -0.025 3.934 3.960 -0.000 0.000 0.213 252 G HA3 -0.025 3.934 3.960 -0.000 0.000 0.213 252 G C 1.900 176.794 174.900 -0.011 0.000 1.166 252 G CA 1.265 46.355 45.100 -0.017 0.000 0.802 252 G HN 0.566 nan 8.290 nan 0.000 0.533 253 S N 0.439 116.130 115.700 -0.015 0.000 2.343 253 S HA -0.098 4.372 4.470 -0.000 0.000 0.219 253 S C 0.999 175.608 174.600 0.014 0.000 1.033 253 S CA 1.375 59.572 58.200 -0.006 0.000 1.014 253 S CB -0.219 62.969 63.200 -0.020 0.000 0.915 253 S HN 0.321 nan 8.310 nan 0.000 0.435 254 N N 0.324 119.040 118.700 0.025 0.000 2.609 254 N HA 0.448 5.188 4.740 -0.000 0.000 0.268 254 N C -2.673 172.884 175.510 0.078 0.000 1.106 254 N CA -2.075 51.017 53.050 0.069 0.000 0.823 254 N CB 1.777 40.348 38.487 0.140 0.000 1.263 254 N HN -0.003 nan 8.380 nan 0.000 0.533 255 P HA 0.010 nan 4.420 nan 0.000 0.222 255 P C -0.339 177.021 177.300 0.100 0.000 1.147 255 P CA 1.096 64.223 63.100 0.045 0.000 0.790 255 P CB 0.345 32.049 31.700 0.007 0.000 0.780 256 D N -2.567 117.903 120.400 0.117 0.000 2.559 256 D HA 0.042 4.682 4.640 -0.000 0.000 0.234 256 D C 1.075 177.454 176.300 0.132 0.000 1.226 256 D CA -0.405 53.676 54.000 0.136 0.000 0.830 256 D CB -0.343 40.503 40.800 0.078 0.000 1.028 256 D HN 0.139 nan 8.370 nan 0.000 0.492 257 Y N 1.068 121.380 120.300 0.020 0.000 2.081 257 Y HA -0.362 4.188 4.550 -0.000 0.000 0.280 257 Y C 2.140 178.026 175.900 -0.024 0.000 1.163 257 Y CA 1.704 59.801 58.100 -0.003 0.000 1.135 257 Y CB -0.253 38.194 38.460 -0.021 0.000 0.970 257 Y HN 0.076 nan 8.280 nan 0.000 0.498 258 C N -0.199 119.058 119.300 -0.072 0.000 2.450 258 C HA -0.119 4.341 4.460 -0.000 0.000 0.279 258 C C 2.644 177.589 174.990 -0.075 0.000 1.335 258 C CA 1.098 59.949 59.018 -0.280 0.000 1.749 258 C CB -1.144 26.225 27.740 -0.618 0.000 1.963 258 C HN 0.654 nan 8.230 nan 0.000 0.501 259 Q N 1.407 121.254 119.800 0.078 0.000 2.050 259 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 259 Q C 2.153 178.226 176.000 0.122 0.000 0.980 259 Q CA 1.855 57.755 55.803 0.161 0.000 0.840 259 Q CB -0.621 28.186 28.738 0.116 0.000 0.898 259 Q HN 0.722 nan 8.270 nan 0.000 0.424 260 Q N -0.274 119.544 119.800 0.030 0.000 2.084 260 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 260 Q C 1.767 177.776 176.000 0.015 0.000 0.978 260 Q CA 1.741 57.559 55.803 0.026 0.000 0.844 260 Q CB -0.281 28.439 28.738 -0.029 0.000 0.898 260 Q HN 0.628 nan 8.270 nan 0.000 0.426 261 D N -0.105 120.214 120.400 -0.134 0.000 2.117 261 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 261 D C 2.033 178.327 176.300 -0.010 0.000 0.987 261 D CA 0.924 54.831 54.000 -0.155 0.000 0.829 261 D CB 0.106 40.691 40.800 -0.358 0.000 0.961 261 D HN 0.280 nan 8.370 nan 0.000 0.460 262 L N 0.068 121.332 121.223 0.068 0.000 2.027 262 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 262 L C 2.284 179.252 176.870 0.164 0.000 1.074 262 L CA 1.365 56.292 54.840 0.145 0.000 0.745 262 L CB -0.987 41.217 42.059 0.241 0.000 0.898 262 L HN 0.016 nan 8.230 nan 0.000 0.433 263 F N 0.586 120.592 119.950 0.093 0.000 2.075 263 F HA -0.221 4.305 4.527 -0.000 0.000 0.297 263 F C 2.405 178.255 175.800 0.083 0.000 1.113 263 F CA 2.106 60.167 58.000 0.101 0.000 1.218 263 F CB -0.154 38.898 39.000 0.085 0.000 0.984 263 F HN 0.184 nan 8.300 nan 0.000 0.472 264 E N -0.067 120.272 120.200 0.233 0.000 2.106 264 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 264 E C 2.312 178.927 176.600 0.026 0.000 0.984 264 E CA 0.858 57.337 56.400 0.132 0.000 0.806 264 E CB -0.370 29.401 29.700 0.118 0.000 0.750 264 E HN 0.502 nan 8.360 nan 0.000 0.458 265 A N 1.109 123.941 122.820 0.020 0.000 1.902 265 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 265 A C 2.135 179.729 177.584 0.016 0.000 1.181 265 A CA 1.064 53.104 52.037 0.005 0.000 0.623 265 A CB -0.472 18.539 19.000 0.018 0.000 0.818 265 A HN 0.139 nan 8.150 nan 0.000 0.443 266 I N -0.854 119.743 120.570 0.046 0.000 2.353 266 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 266 I C 2.746 178.908 176.117 0.075 0.000 1.119 266 I CA 1.436 62.829 61.300 0.155 0.000 1.417 266 I CB -0.267 37.784 38.000 0.085 0.000 1.078 266 I HN 0.511 nan 8.210 nan 0.000 0.421 267 Q N 1.059 120.790 119.800 -0.116 0.000 2.167 267 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 267 Q C 1.315 177.301 176.000 -0.023 0.000 0.970 267 Q CA 1.318 57.058 55.803 -0.104 0.000 0.855 267 Q CB 0.115 28.759 28.738 -0.158 0.000 0.911 267 Q HN 0.467 nan 8.270 nan 0.000 0.438 268 N N -0.657 118.021 118.700 -0.037 0.000 2.398 268 N HA 0.053 4.793 4.740 -0.000 0.000 0.188 268 N C 0.666 176.091 175.510 -0.141 0.000 1.122 268 N CA 0.964 53.980 53.050 -0.056 0.000 0.866 268 N CB 0.805 39.265 38.487 -0.044 0.000 0.970 268 N HN 0.440 nan 8.380 nan 0.000 0.462 269 G N 1.128 109.786 108.800 -0.236 0.000 2.159 269 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 269 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 269 G C 0.105 174.486 174.900 -0.865 0.000 0.977 269 G CA 0.025 44.723 45.100 -0.669 0.000 0.652 269 G HN 0.521 nan 8.290 nan 0.000 0.531 270 N N 0.504 118.947 118.700 -0.428 0.000 3.188 270 N HA 0.305 5.044 4.740 -0.000 0.000 0.279 270 N C -0.251 175.192 175.510 -0.110 0.000 1.213 270 N CA -0.573 52.321 53.050 -0.261 0.000 1.138 270 N CB -0.078 38.334 38.487 -0.126 0.000 1.417 270 N HN 0.205 nan 8.380 nan 0.000 0.526 271 Y N 2.020 122.324 120.300 0.006 0.000 2.650 271 Y HA 0.137 4.687 4.550 -0.000 0.000 0.331 271 Y C -1.557 174.337 175.900 -0.010 0.000 1.165 271 Y CA -2.468 55.644 58.100 0.019 0.000 1.473 271 Y CB -0.377 38.108 38.460 0.041 0.000 1.224 271 Y HN 0.377 nan 8.280 nan 0.000 0.533 272 P HA 0.148 nan 4.420 nan 0.000 0.276 272 P C -0.641 176.635 177.300 -0.039 0.000 1.230 272 P CA -0.206 62.852 63.100 -0.070 0.000 0.776 272 P CB 1.369 33.010 31.700 -0.098 0.000 0.888 273 S N 2.154 117.707 115.700 -0.246 0.000 2.595 273 S HA 0.740 5.210 4.470 -0.000 0.000 0.281 273 S C -1.401 173.110 174.600 -0.149 0.000 1.117 273 S CA -0.786 57.417 58.200 0.005 0.000 0.873 273 S CB 1.719 64.949 63.200 0.050 0.000 1.108 273 S HN 0.531 nan 8.310 nan 0.000 0.477 274 W N 0.492 121.914 121.300 0.202 0.000 3.022 274 W HA 0.413 5.073 4.660 -0.000 0.000 0.335 274 W C -1.039 175.591 176.519 0.185 0.000 1.133 274 W CA -0.733 56.762 57.345 0.249 0.000 1.219 274 W CB 2.512 32.192 29.460 0.366 0.000 1.409 274 W HN 0.606 nan 8.180 nan 0.000 0.507 275 T N 2.156 116.915 114.554 0.341 0.000 2.749 275 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 275 T C -0.071 174.674 174.700 0.074 0.000 0.970 275 T CA -0.429 61.746 62.100 0.126 0.000 0.980 275 T CB 1.436 70.305 68.868 0.003 0.000 0.924 275 T HN 0.048 nan 8.240 nan 0.000 0.456 276 V N 4.997 124.953 119.914 0.071 0.000 2.461 276 V HA 0.376 4.496 4.120 -0.000 0.000 0.275 276 V C -0.797 175.241 176.094 -0.095 0.000 1.047 276 V CA -0.458 61.945 62.300 0.172 0.000 0.955 276 V CB -0.254 31.867 31.823 0.497 0.000 0.988 276 V HN 0.763 nan 8.190 nan 0.000 0.471 277 Y N 4.593 124.990 120.300 0.161 0.000 2.536 277 Y HA 0.763 5.313 4.550 -0.000 0.000 0.347 277 Y C 0.192 176.125 175.900 0.055 0.000 1.000 277 Y CA -1.070 57.081 58.100 0.084 0.000 1.051 277 Y CB 1.972 40.435 38.460 0.005 0.000 1.259 277 Y HN 0.616 nan 8.280 nan 0.000 0.468 278 I N -0.894 119.784 120.570 0.180 0.000 2.785 278 I HA 0.670 4.840 4.170 -0.000 0.000 0.302 278 I C -1.354 174.804 176.117 0.068 0.000 1.069 278 I CA -1.181 60.145 61.300 0.043 0.000 1.045 278 I CB 2.399 40.329 38.000 -0.116 0.000 1.236 278 I HN 0.509 nan 8.210 nan 0.000 0.429 279 Q N 3.152 123.000 119.800 0.080 0.000 2.316 279 Q HA 0.519 4.859 4.340 -0.000 0.000 0.264 279 Q C -0.713 175.452 176.000 0.275 0.000 0.987 279 Q CA -0.772 55.164 55.803 0.222 0.000 0.852 279 Q CB 2.484 31.450 28.738 0.380 0.000 1.287 279 Q HN 0.850 nan 8.270 nan 0.000 0.448 280 T N -0.369 114.346 114.554 0.268 0.000 2.932 280 T HA 0.822 5.172 4.350 -0.000 0.000 0.289 280 T C -0.392 174.460 174.700 0.253 0.000 1.039 280 T CA -0.865 61.379 62.100 0.239 0.000 1.024 280 T CB 1.668 70.540 68.868 0.006 0.000 1.090 280 T HN 0.625 nan 8.240 nan 0.000 0.496 281 M N 2.184 121.926 119.600 0.238 0.000 2.414 281 M HA 0.405 4.885 4.480 -0.000 0.000 0.287 281 M C -0.702 175.612 176.300 0.024 0.000 1.181 281 M CA -0.504 54.801 55.300 0.009 0.000 0.933 281 M CB 2.403 34.671 32.600 -0.554 0.000 1.732 281 M HN 1.114 nan 8.290 nan 0.000 0.486 282 T N -1.238 113.241 114.554 -0.126 0.000 2.862 282 T HA 0.334 4.684 4.350 -0.000 0.000 0.276 282 T C 0.714 175.224 174.700 -0.317 0.000 0.974 282 T CA -0.380 61.465 62.100 -0.425 0.000 0.966 282 T CB 1.378 70.002 68.868 -0.406 0.000 1.072 282 T HN 0.857 nan 8.240 nan 0.000 0.538 283 E N 0.002 119.874 120.200 -0.547 0.000 2.077 283 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 283 E C 2.330 178.872 176.600 -0.096 0.000 0.989 283 E CA 0.938 57.204 56.400 -0.222 0.000 0.800 283 E CB -0.006 29.509 29.700 -0.307 0.000 0.746 283 E HN 0.556 nan 8.360 nan 0.000 0.452 284 R N 0.471 120.878 120.500 -0.154 0.000 2.081 284 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 284 R C 1.982 178.226 176.300 -0.093 0.000 1.131 284 R CA 1.537 57.573 56.100 -0.106 0.000 0.960 284 R CB -0.225 30.010 30.300 -0.108 0.000 0.856 284 R HN 0.264 nan 8.270 nan 0.000 0.436 285 D N 0.702 121.044 120.400 -0.096 0.000 2.144 285 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 285 D C 1.825 178.029 176.300 -0.160 0.000 0.984 285 D CA 1.387 55.343 54.000 -0.075 0.000 0.834 285 D CB -0.205 40.593 40.800 -0.004 0.000 0.955 285 D HN 0.242 nan 8.370 nan 0.000 0.465 286 A N 1.173 123.877 122.820 -0.194 0.000 1.940 286 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 286 A C 2.012 179.446 177.584 -0.250 0.000 1.176 286 A CA 1.528 53.384 52.037 -0.302 0.000 0.631 286 A CB -0.378 18.478 19.000 -0.239 0.000 0.814 286 A HN 0.170 nan 8.150 nan 0.000 0.446 287 K N -0.306 120.007 120.400 -0.145 0.000 2.432 287 K HA 0.009 4.329 4.320 -0.000 0.000 0.196 287 K C 1.537 178.068 176.600 -0.115 0.000 1.038 287 K CA 1.024 57.245 56.287 -0.111 0.000 0.986 287 K CB 0.033 32.494 32.500 -0.064 0.000 0.782 287 K HN 0.435 nan 8.250 nan 0.000 0.485 288 K N 0.406 120.728 120.400 -0.130 0.000 2.361 288 K HA 0.121 4.441 4.320 -0.000 0.000 0.196 288 K C 0.124 176.626 176.600 -0.162 0.000 1.039 288 K CA 0.012 56.230 56.287 -0.115 0.000 1.001 288 K CB 0.201 32.650 32.500 -0.086 0.000 0.795 288 K HN 0.032 nan 8.250 nan 0.000 0.495 289 L N 3.205 124.267 121.223 -0.268 0.000 2.485 289 L HA 0.027 4.367 4.340 -0.000 0.000 0.275 289 L C -1.118 175.514 176.870 -0.396 0.000 1.207 289 L CA -1.056 53.513 54.840 -0.452 0.000 0.855 289 L CB 0.303 41.888 42.059 -0.790 0.000 1.114 289 L HN 0.020 nan 8.230 nan 0.000 0.485 290 P HA -0.050 nan 4.420 nan 0.000 0.242 290 P C -0.502 176.802 177.300 0.007 0.000 1.197 290 P CA 0.762 63.791 63.100 -0.118 0.000 0.765 290 P CB -0.053 31.654 31.700 0.010 0.000 0.936 291 F N -2.818 117.147 119.950 0.024 0.000 2.692 291 F HA 0.685 5.212 4.527 -0.000 0.000 0.320 291 F C -0.320 175.504 175.800 0.038 0.000 1.123 291 F CA -1.924 56.106 58.000 0.051 0.000 0.961 291 F CB 0.454 39.481 39.000 0.045 0.000 1.383 291 F HN -0.387 nan 8.300 nan 0.000 0.483 292 S N 0.246 116.169 115.700 0.372 0.000 2.537 292 S HA 0.405 4.875 4.470 -0.000 0.000 0.275 292 S C 0.926 175.645 174.600 0.199 0.000 1.272 292 S CA -0.239 58.098 58.200 0.229 0.000 1.050 292 S CB 1.212 64.698 63.200 0.475 0.000 0.961 292 S HN 1.139 nan 8.310 nan 0.000 0.496 293 V N 3.133 122.925 119.914 -0.204 0.000 2.913 293 V HA 0.070 4.190 4.120 -0.000 0.000 0.260 293 V C 1.120 177.161 176.094 -0.088 0.000 1.098 293 V CA 1.199 63.384 62.300 -0.193 0.000 1.121 293 V CB -1.258 30.142 31.823 -0.705 0.000 0.714 293 V HN 0.810 nan 8.190 nan 0.000 0.487 294 F N 0.658 120.744 119.950 0.226 0.000 2.773 294 F HA 0.394 4.921 4.527 -0.000 0.000 0.304 294 F C 0.819 176.860 175.800 0.401 0.000 1.129 294 F CA -1.041 57.118 58.000 0.266 0.000 1.378 294 F CB -0.475 38.659 39.000 0.224 0.000 1.095 294 F HN 0.196 nan 8.300 nan 0.000 0.565 295 D N 0.854 121.526 120.400 0.454 0.000 2.373 295 D HA 0.128 4.768 4.640 -0.000 0.000 0.227 295 D C 1.163 177.493 176.300 0.051 0.000 1.091 295 D CA -0.034 54.069 54.000 0.173 0.000 0.840 295 D CB 1.057 41.865 40.800 0.014 0.000 1.060 295 D HN 0.139 nan 8.370 nan 0.000 0.502 296 L N 3.018 124.257 121.223 0.028 0.000 2.191 296 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 296 L C 1.921 178.710 176.870 -0.134 0.000 1.103 296 L CA 1.455 56.273 54.840 -0.037 0.000 0.769 296 L CB -0.087 41.990 42.059 0.030 0.000 0.908 296 L HN 0.527 nan 8.230 nan 0.000 0.438 297 T N -3.321 111.134 114.554 -0.165 0.000 3.194 297 T HA 0.037 4.387 4.350 -0.000 0.000 0.251 297 T C 0.599 175.208 174.700 -0.151 0.000 1.132 297 T CA -0.124 61.860 62.100 -0.192 0.000 1.028 297 T CB -0.013 68.718 68.868 -0.228 0.000 0.976 297 T HN -0.046 nan 8.240 nan 0.000 0.535 298 K N 1.997 122.275 120.400 -0.204 0.000 2.259 298 K HA 0.607 4.927 4.320 -0.000 0.000 0.252 298 K C -0.324 176.124 176.600 -0.253 0.000 0.936 298 K CA -0.788 55.299 56.287 -0.333 0.000 0.810 298 K CB 2.462 34.572 32.500 -0.650 0.000 1.143 298 K HN 0.204 nan 8.250 nan 0.000 0.427 299 V N -1.505 118.283 119.914 -0.209 0.000 2.732 299 V HA 0.598 4.717 4.120 -0.000 0.000 0.310 299 V C -0.877 175.338 176.094 0.202 0.000 1.053 299 V CA -1.021 61.242 62.300 -0.061 0.000 0.957 299 V CB 1.378 33.201 31.823 0.001 0.000 1.018 299 V HN 0.521 nan 8.190 nan 0.000 0.452 300 W N 1.974 123.332 121.300 0.096 0.000 2.338 300 W HA 0.562 5.222 4.660 -0.000 0.000 0.307 300 W C -2.396 174.290 176.519 0.280 0.000 1.167 300 W CA -2.782 54.704 57.345 0.234 0.000 1.208 300 W CB -0.140 29.361 29.460 0.069 0.000 1.228 300 W HN 0.436 nan 8.180 nan 0.000 0.499 301 P HA -0.039 nan 4.420 nan 0.000 0.261 301 P C 0.701 178.203 177.300 0.337 0.000 1.183 301 P CA 0.538 63.853 63.100 0.358 0.000 0.761 301 P CB 0.636 32.508 31.700 0.287 0.000 0.785 302 Q N 2.093 122.014 119.800 0.203 0.000 2.297 302 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 302 Q C 2.237 178.269 176.000 0.054 0.000 0.962 302 Q CA 1.197 57.078 55.803 0.130 0.000 0.879 302 Q CB -0.304 28.466 28.738 0.052 0.000 0.947 302 Q HN 0.677 nan 8.270 nan 0.000 0.462 303 G N 1.090 109.907 108.800 0.028 0.000 2.421 303 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 303 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 303 G C 1.257 176.090 174.900 -0.112 0.000 1.171 303 G CA 0.540 45.622 45.100 -0.030 0.000 0.775 303 G HN 0.304 nan 8.290 nan 0.000 0.543 304 Q N -1.034 118.642 119.800 -0.207 0.000 2.212 304 Q HA 0.153 4.493 4.340 -0.000 0.000 0.199 304 Q C -0.149 175.383 176.000 -0.780 0.000 0.950 304 Q CA 0.377 55.845 55.803 -0.558 0.000 0.863 304 Q CB 0.327 28.551 28.738 -0.857 0.000 0.944 304 Q HN 0.492 nan 8.270 nan 0.000 0.465 305 F N 1.728 121.701 119.950 0.039 0.000 2.564 305 F HA 0.345 4.872 4.527 -0.000 0.000 0.361 305 F C -2.251 173.591 175.800 0.070 0.000 1.161 305 F CA -2.947 55.093 58.000 0.067 0.000 1.198 305 F CB 0.990 40.072 39.000 0.136 0.000 1.424 305 F HN -0.125 nan 8.300 nan 0.000 0.517 306 P HA 0.107 nan 4.420 nan 0.000 0.272 306 P C -0.207 177.118 177.300 0.042 0.000 1.223 306 P CA -0.221 62.908 63.100 0.049 0.000 0.784 306 P CB 1.549 33.258 31.700 0.014 0.000 0.923 307 L N 2.148 123.339 121.223 -0.055 0.000 2.410 307 L HA 0.243 4.583 4.340 -0.000 0.000 0.273 307 L C 1.351 178.268 176.870 0.079 0.000 1.152 307 L CA 0.130 54.920 54.840 -0.084 0.000 0.855 307 L CB 0.002 41.831 42.059 -0.385 0.000 1.129 307 L HN 0.411 nan 8.230 nan 0.000 0.463 308 R N 4.171 124.776 120.500 0.173 0.000 2.393 308 R HA 0.330 4.670 4.340 -0.000 0.000 0.315 308 R C -0.386 176.064 176.300 0.249 0.000 0.952 308 R CA -0.799 55.410 56.100 0.183 0.000 0.842 308 R CB 1.204 31.562 30.300 0.096 0.000 1.163 308 R HN 0.589 nan 8.270 nan 0.000 0.450 309 R N 2.949 123.581 120.500 0.220 0.000 2.543 309 R HA 0.126 4.466 4.340 -0.000 0.000 0.277 309 R C -0.034 176.261 176.300 -0.008 0.000 1.074 309 R CA -0.030 56.056 56.100 -0.024 0.000 1.076 309 R CB 0.993 31.250 30.300 -0.073 0.000 0.993 309 R HN 0.539 nan 8.270 nan 0.000 0.459 310 V N 2.078 121.980 119.914 -0.021 0.000 3.054 310 V HA 0.404 4.523 4.120 -0.000 0.000 0.227 310 V C 0.786 176.958 176.094 0.131 0.000 1.252 310 V CA 0.876 63.230 62.300 0.090 0.000 1.279 310 V CB 0.727 32.659 31.823 0.182 0.000 1.118 310 V HN 0.982 nan 8.190 nan 0.000 0.504 311 G N -0.517 108.360 108.800 0.129 0.000 2.578 311 G HA2 0.501 4.461 3.960 -0.000 0.000 0.302 311 G HA3 0.501 4.461 3.960 -0.000 0.000 0.302 311 G C -1.818 173.054 174.900 -0.046 0.000 1.243 311 G CA -0.499 44.556 45.100 -0.076 0.000 0.843 311 G HN 0.031 nan 8.290 nan 0.000 0.486 312 K N -0.136 120.139 120.400 -0.208 0.000 2.468 312 K HA 0.576 4.896 4.320 -0.000 0.000 0.252 312 K C -1.253 175.405 176.600 0.096 0.000 0.932 312 K CA -0.625 55.671 56.287 0.015 0.000 0.794 312 K CB 2.664 35.170 32.500 0.010 0.000 1.241 312 K HN 0.340 nan 8.250 nan 0.000 0.428 313 I N 2.938 123.697 120.570 0.316 0.000 2.339 313 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 313 I C -0.626 175.624 176.117 0.221 0.000 0.994 313 I CA -1.064 60.431 61.300 0.325 0.000 1.191 313 I CB 1.775 40.044 38.000 0.447 0.000 1.343 313 I HN 0.122 nan 8.210 nan 0.000 0.458 314 V N 7.562 127.394 119.914 -0.138 0.000 2.444 314 V HA 0.390 4.510 4.120 -0.000 0.000 0.294 314 V C -0.070 175.935 176.094 -0.149 0.000 1.022 314 V CA -0.554 61.634 62.300 -0.185 0.000 0.850 314 V CB 1.878 33.365 31.823 -0.561 0.000 0.992 314 V HN 0.486 nan 8.190 nan 0.000 0.426 315 L N 5.713 127.005 121.223 0.115 0.000 2.257 315 L HA 0.507 4.847 4.340 -0.000 0.000 0.290 315 L C 0.501 177.366 176.870 -0.009 0.000 1.044 315 L CA -0.239 54.658 54.840 0.096 0.000 0.810 315 L CB 1.080 43.292 42.059 0.255 0.000 1.193 315 L HN 0.875 nan 8.230 nan 0.000 0.425 316 N N 1.506 120.099 118.700 -0.177 0.000 2.167 316 N HA 0.081 4.820 4.740 -0.000 0.000 0.234 316 N C -0.372 174.920 175.510 -0.365 0.000 1.312 316 N CA -0.323 52.345 53.050 -0.636 0.000 0.861 316 N CB 0.768 38.655 38.487 -1.001 0.000 1.217 316 N HN 0.569 nan 8.380 nan 0.000 0.504 317 E N 0.563 120.726 120.200 -0.061 0.000 2.287 317 E HA 0.276 4.626 4.350 -0.000 0.000 0.274 317 E C -1.274 175.412 176.600 0.144 0.000 0.896 317 E CA -0.518 55.904 56.400 0.036 0.000 0.788 317 E CB 1.188 30.927 29.700 0.065 0.000 1.244 317 E HN 0.050 nan 8.360 nan 0.000 0.408 318 N N 3.674 122.423 118.700 0.082 0.000 2.525 318 N HA 0.284 5.024 4.740 -0.000 0.000 0.271 318 N C -2.466 173.226 175.510 0.302 0.000 1.194 318 N CA -1.255 51.873 53.050 0.131 0.000 0.964 318 N CB 0.720 39.152 38.487 -0.091 0.000 1.126 318 N HN 0.293 nan 8.380 nan 0.000 0.452 319 P HA 0.074 nan 4.420 nan 0.000 0.266 319 P C 0.813 178.313 177.300 0.333 0.000 1.195 319 P CA -0.008 63.350 63.100 0.430 0.000 0.768 319 P CB 0.753 32.649 31.700 0.327 0.000 0.838 320 L N 1.412 122.785 121.223 0.249 0.000 2.131 320 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 320 L C 0.914 177.907 176.870 0.205 0.000 1.087 320 L CA 1.250 56.205 54.840 0.192 0.000 0.767 320 L CB -0.318 41.808 42.059 0.112 0.000 0.917 320 L HN 0.456 nan 8.230 nan 0.000 0.441 321 N N -1.517 117.313 118.700 0.216 0.000 2.480 321 N HA 0.126 4.866 4.740 -0.000 0.000 0.289 321 N C 0.238 175.907 175.510 0.264 0.000 1.073 321 N CA -0.450 52.738 53.050 0.230 0.000 0.885 321 N CB 1.058 39.659 38.487 0.190 0.000 1.421 321 N HN -0.024 nan 8.380 nan 0.000 0.503 322 F N 3.727 123.774 119.950 0.162 0.000 2.102 322 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 322 F C 1.442 177.325 175.800 0.139 0.000 1.105 322 F CA 1.462 59.546 58.000 0.140 0.000 1.239 322 F CB -0.115 38.961 39.000 0.126 0.000 0.991 322 F HN 0.619 nan 8.300 nan 0.000 0.474 323 F N 0.841 120.923 119.950 0.220 0.000 2.051 323 F HA -0.128 4.398 4.527 -0.000 0.000 0.296 323 F C 2.362 178.158 175.800 -0.007 0.000 1.122 323 F CA 1.886 59.948 58.000 0.103 0.000 1.201 323 F CB -1.011 38.072 39.000 0.138 0.000 0.978 323 F HN -0.026 nan 8.300 nan 0.000 0.472 324 A N -0.565 122.354 122.820 0.164 0.000 1.972 324 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 324 A C 2.039 179.584 177.584 -0.066 0.000 1.169 324 A CA 1.958 54.028 52.037 0.055 0.000 0.635 324 A CB -0.570 18.529 19.000 0.164 0.000 0.810 324 A HN 0.666 nan 8.150 nan 0.000 0.446 325 Q N -1.751 118.017 119.800 -0.055 0.000 2.423 325 Q HA 0.155 4.494 4.340 -0.000 0.000 0.231 325 Q C 1.709 177.581 176.000 -0.214 0.000 0.894 325 Q CA 0.803 56.584 55.803 -0.036 0.000 0.938 325 Q CB 0.512 29.351 28.738 0.168 0.000 1.079 325 Q HN 0.448 nan 8.270 nan 0.000 0.552 326 V N 0.004 119.674 119.914 -0.406 0.000 2.690 326 V HA -0.061 4.059 4.120 -0.000 0.000 0.240 326 V C 1.810 177.578 176.094 -0.544 0.000 1.078 326 V CA 1.213 63.178 62.300 -0.557 0.000 1.102 326 V CB 0.145 31.393 31.823 -0.958 0.000 0.800 326 V HN 0.138 nan 8.190 nan 0.000 0.479 327 E N 0.809 120.613 120.200 -0.661 0.000 2.106 327 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 327 E C 2.103 178.430 176.600 -0.455 0.000 0.984 327 E CA 1.428 57.542 56.400 -0.477 0.000 0.806 327 E CB -0.135 29.302 29.700 -0.438 0.000 0.750 327 E HN 0.597 nan 8.360 nan 0.000 0.458 328 Q N -0.267 119.214 119.800 -0.532 0.000 2.444 328 Q HA 0.240 4.579 4.340 -0.000 0.000 0.206 328 Q C -0.134 175.687 176.000 -0.298 0.000 0.948 328 Q CA 0.162 55.721 55.803 -0.407 0.000 0.946 328 Q CB 0.470 28.975 28.738 -0.388 0.000 1.027 328 Q HN 0.197 nan 8.270 nan 0.000 0.513 329 A N 1.010 123.645 122.820 -0.307 0.000 2.462 329 A HA 0.494 4.813 4.320 -0.000 0.000 0.243 329 A C -0.200 177.112 177.584 -0.455 0.000 1.076 329 A CA 0.108 51.912 52.037 -0.389 0.000 0.773 329 A CB 0.321 19.095 19.000 -0.377 0.000 1.010 329 A HN 0.263 nan 8.150 nan 0.000 0.493 330 A N 2.119 124.537 122.820 -0.670 0.000 2.335 330 A HA 0.725 5.044 4.320 -0.000 0.000 0.304 330 A C -0.986 176.177 177.584 -0.702 0.000 1.118 330 A CA -0.383 51.179 52.037 -0.793 0.000 0.757 330 A CB 0.424 18.866 19.000 -0.931 0.000 1.188 330 A HN 0.659 nan 8.150 nan 0.000 0.460 331 F N 1.493 121.387 119.950 -0.093 0.000 2.495 331 F HA 0.749 5.276 4.527 -0.000 0.000 0.327 331 F C 0.494 176.436 175.800 0.237 0.000 1.103 331 F CA -0.327 57.691 58.000 0.031 0.000 0.949 331 F CB 2.572 41.547 39.000 -0.042 0.000 1.142 331 F HN 0.743 nan 8.300 nan 0.000 0.457 332 A N 3.852 126.808 122.820 0.228 0.000 2.459 332 A HA 0.652 4.972 4.320 -0.000 0.000 0.296 332 A C -2.496 175.025 177.584 -0.105 0.000 1.039 332 A CA -1.578 50.466 52.037 0.012 0.000 0.698 332 A CB 1.667 20.756 19.000 0.148 0.000 1.261 332 A HN 0.470 nan 8.150 nan 0.000 0.405 333 P HA -0.156 nan 4.420 nan 0.000 0.219 333 P C 1.479 178.802 177.300 0.038 0.000 1.146 333 P CA 2.037 65.102 63.100 -0.059 0.000 0.808 333 P CB 0.205 31.827 31.700 -0.131 0.000 0.779 334 S N -2.888 112.812 115.700 0.000 0.000 2.555 334 S HA -0.011 4.459 4.470 -0.000 0.000 0.230 334 S C 0.918 175.548 174.600 0.049 0.000 0.978 334 S CA 0.545 58.767 58.200 0.036 0.000 0.934 334 S CB -1.372 61.845 63.200 0.028 0.000 0.766 334 S HN 0.021 nan 8.310 nan 0.000 0.533 335 T N 2.823 117.408 114.554 0.051 0.000 2.992 335 T HA 0.458 4.808 4.350 -0.000 0.000 0.299 335 T C -0.323 174.400 174.700 0.039 0.000 1.027 335 T CA -0.005 62.116 62.100 0.035 0.000 1.001 335 T CB 0.495 69.378 68.868 0.025 0.000 1.005 335 T HN 0.349 nan 8.240 nan 0.000 0.599 336 T N 2.309 116.884 114.554 0.034 0.000 2.909 336 T HA 0.613 4.963 4.350 -0.000 0.000 0.299 336 T C -0.093 174.602 174.700 -0.009 0.000 1.073 336 T CA -0.699 61.425 62.100 0.039 0.000 0.999 336 T CB 1.116 70.052 68.868 0.113 0.000 1.098 336 T HN 0.380 nan 8.240 nan 0.000 0.477 337 V N 2.391 122.275 119.914 -0.051 0.000 3.170 337 V HA 0.715 4.835 4.120 -0.000 0.000 0.309 337 V C -2.519 173.548 176.094 -0.046 0.000 1.071 337 V CA -2.431 59.825 62.300 -0.073 0.000 1.063 337 V CB -0.001 31.733 31.823 -0.148 0.000 1.123 337 V HN 0.711 nan 8.190 nan 0.000 0.464 338 P HA 0.061 nan 4.420 nan 0.000 0.264 338 P C -0.775 176.534 177.300 0.016 0.000 1.179 338 P CA 0.953 63.970 63.100 -0.139 0.000 0.763 338 P CB -0.271 31.317 31.700 -0.188 0.000 0.806 339 Y N -1.305 119.010 120.300 0.025 0.000 4.907 339 Y HA -0.255 4.295 4.550 -0.000 0.000 0.246 339 Y C 0.370 176.311 175.900 0.069 0.000 0.968 339 Y CA 0.820 58.962 58.100 0.070 0.000 1.961 339 Y CB -2.400 36.094 38.460 0.057 0.000 1.487 339 Y HN 0.467 nan 8.280 nan 0.000 0.575 340 Q N 0.708 120.586 119.800 0.129 0.000 2.320 340 Q HA 0.480 4.820 4.340 -0.000 0.000 0.268 340 Q C -0.334 175.827 176.000 0.269 0.000 1.023 340 Q CA -0.636 55.249 55.803 0.138 0.000 0.744 340 Q CB 2.372 31.065 28.738 -0.075 0.000 1.246 340 Q HN 0.112 nan 8.270 nan 0.000 0.462 341 E N 0.773 121.220 120.200 0.411 0.000 2.392 341 E HA 0.650 5.000 4.350 -0.000 0.000 0.269 341 E C -1.084 175.752 176.600 0.393 0.000 0.924 341 E CA -0.769 55.824 56.400 0.323 0.000 0.784 341 E CB 2.087 31.911 29.700 0.207 0.000 1.292 341 E HN 0.643 nan 8.360 nan 0.000 0.447 342 A N 0.876 123.811 122.820 0.190 0.000 2.322 342 A HA 0.470 4.790 4.320 -0.000 0.000 0.269 342 A C 0.503 178.096 177.584 0.016 0.000 1.094 342 A CA -0.149 51.873 52.037 -0.024 0.000 0.807 342 A CB 0.305 19.231 19.000 -0.122 0.000 1.047 342 A HN 0.569 nan 8.150 nan 0.000 0.487 343 S N 0.620 116.309 115.700 -0.019 0.000 2.686 343 S HA 0.532 5.001 4.470 -0.000 0.000 0.270 343 S C 0.880 175.469 174.600 -0.018 0.000 1.194 343 S CA -0.021 58.289 58.200 0.183 0.000 0.990 343 S CB 1.075 64.530 63.200 0.425 0.000 1.029 343 S HN 1.678 nan 8.310 nan 0.000 0.560 344 A N -0.007 122.707 122.820 -0.176 0.000 2.261 344 A HA 0.156 4.476 4.320 -0.000 0.000 0.208 344 A C 0.686 177.972 177.584 -0.496 0.000 1.223 344 A CA 0.016 51.694 52.037 -0.599 0.000 0.833 344 A CB -1.059 17.245 19.000 -1.160 0.000 0.830 344 A HN 0.836 nan 8.150 nan 0.000 0.483 345 D N 0.700 121.048 120.400 -0.085 0.000 2.451 345 D HA 0.032 4.672 4.640 -0.000 0.000 0.254 345 D C -1.569 174.722 176.300 -0.015 0.000 1.204 345 D CA -1.359 52.708 54.000 0.111 0.000 0.896 345 D CB 1.040 41.937 40.800 0.163 0.000 1.136 345 D HN 0.092 nan 8.370 nan 0.000 0.499 346 P HA -0.137 nan 4.420 nan 0.000 0.218 346 P C 1.577 178.895 177.300 0.030 0.000 1.148 346 P CA 0.415 63.535 63.100 0.033 0.000 0.822 346 P CB 0.327 32.114 31.700 0.145 0.000 0.784 347 V N -0.403 119.562 119.914 0.085 0.000 2.323 347 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 347 V C 2.363 178.396 176.094 -0.103 0.000 1.041 347 V CA 1.426 63.769 62.300 0.073 0.000 1.025 347 V CB -1.256 30.701 31.823 0.224 0.000 0.656 347 V HN 0.048 nan 8.190 nan 0.000 0.451 348 L N 0.132 121.123 121.223 -0.387 0.000 2.083 348 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 348 L C 2.479 179.170 176.870 -0.298 0.000 1.083 348 L CA 1.875 56.325 54.840 -0.649 0.000 0.752 348 L CB -0.885 40.579 42.059 -0.991 0.000 0.899 348 L HN 0.297 nan 8.230 nan 0.000 0.433 349 Q N -0.354 119.322 119.800 -0.206 0.000 2.084 349 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 349 Q C 2.258 178.222 176.000 -0.060 0.000 0.978 349 Q CA 1.826 57.548 55.803 -0.136 0.000 0.844 349 Q CB -0.509 28.141 28.738 -0.148 0.000 0.898 349 Q HN 0.685 nan 8.270 nan 0.000 0.426 350 A N 1.014 123.815 122.820 -0.032 0.000 1.968 350 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 350 A C 2.065 179.699 177.584 0.084 0.000 1.169 350 A CA 0.845 52.908 52.037 0.044 0.000 0.638 350 A CB -0.316 18.708 19.000 0.041 0.000 0.812 350 A HN 0.236 nan 8.150 nan 0.000 0.446 351 R N -0.957 119.556 120.500 0.022 0.000 2.189 351 R HA -0.027 4.312 4.340 -0.000 0.000 0.223 351 R C 1.475 177.819 176.300 0.074 0.000 1.092 351 R CA 0.758 56.921 56.100 0.104 0.000 0.989 351 R CB -0.365 29.951 30.300 0.027 0.000 0.876 351 R HN 0.346 nan 8.270 nan 0.000 0.457 352 L N -0.395 120.837 121.223 0.015 0.000 2.201 352 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 352 L C 1.760 178.682 176.870 0.087 0.000 1.105 352 L CA 1.503 56.356 54.840 0.022 0.000 0.775 352 L CB -0.475 41.586 42.059 0.003 0.000 0.913 352 L HN 0.107 nan 8.230 nan 0.000 0.440 353 F N -1.234 118.711 119.950 -0.007 0.000 2.243 353 F HA -0.002 4.524 4.527 -0.000 0.000 0.287 353 F C 2.474 178.270 175.800 -0.006 0.000 1.067 353 F CA 1.028 59.022 58.000 -0.010 0.000 1.304 353 F CB -0.439 38.545 39.000 -0.026 0.000 1.087 353 F HN -0.093 nan 8.300 nan 0.000 0.513 354 S N 0.151 115.678 115.700 -0.289 0.000 2.365 354 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 354 S C 1.817 176.128 174.600 -0.481 0.000 1.039 354 S CA 1.983 59.917 58.200 -0.443 0.000 1.033 354 S CB -0.737 62.349 63.200 -0.190 0.000 0.887 354 S HN 0.502 nan 8.310 nan 0.000 0.447 355 Y N 1.358 121.393 120.300 -0.441 0.000 2.133 355 Y HA -0.003 4.546 4.550 -0.000 0.000 0.287 355 Y C 2.701 177.995 175.900 -1.010 0.000 1.134 355 Y CA 0.574 58.327 58.100 -0.578 0.000 1.133 355 Y CB -1.064 37.189 38.460 -0.346 0.000 0.987 355 Y HN 0.256 nan 8.280 nan 0.000 0.502 356 A N -0.198 122.323 122.820 -0.498 0.000 1.972 356 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 356 A C 1.846 179.160 177.584 -0.450 0.000 1.169 356 A CA 2.046 53.829 52.037 -0.424 0.000 0.635 356 A CB -0.905 18.040 19.000 -0.092 0.000 0.810 356 A HN 0.514 nan 8.150 nan 0.000 0.446 357 D N -0.318 119.764 120.400 -0.530 0.000 2.117 357 D HA 0.017 4.656 4.640 -0.000 0.000 0.198 357 D C 2.004 178.113 176.300 -0.317 0.000 0.982 357 D CA 1.472 55.200 54.000 -0.454 0.000 0.828 357 D CB -0.196 40.108 40.800 -0.826 0.000 0.967 357 D HN 0.313 nan 8.370 nan 0.000 0.464 358 A N -0.569 122.013 122.820 -0.397 0.000 1.933 358 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 358 A C 1.942 179.446 177.584 -0.133 0.000 1.175 358 A CA 1.669 53.571 52.037 -0.225 0.000 0.628 358 A CB -1.075 17.760 19.000 -0.276 0.000 0.814 358 A HN 0.513 nan 8.150 nan 0.000 0.444 359 H N -0.946 117.913 119.070 -0.352 0.000 2.389 359 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 359 H C 2.341 177.360 175.328 -0.515 0.000 1.081 359 H CA 1.094 56.785 56.048 -0.595 0.000 1.345 359 H CB 0.009 29.014 29.762 -1.262 0.000 1.393 359 H HN 0.410 nan 8.280 nan 0.000 0.520 360 R N -0.130 120.231 120.500 -0.231 0.000 2.148 360 R HA -0.144 4.196 4.340 -0.000 0.000 0.227 360 R C 1.793 178.139 176.300 0.076 0.000 1.103 360 R CA 1.228 57.339 56.100 0.018 0.000 0.983 360 R CB -0.132 30.216 30.300 0.080 0.000 0.874 360 R HN 0.395 nan 8.270 nan 0.000 0.451 361 Y N 0.996 121.260 120.300 -0.061 0.000 2.177 361 Y HA -0.020 4.530 4.550 -0.000 0.000 0.291 361 Y C 2.403 178.292 175.900 -0.019 0.000 1.117 361 Y CA 1.043 59.125 58.100 -0.029 0.000 1.114 361 Y CB -0.124 38.311 38.460 -0.042 0.000 1.017 361 Y HN -0.239 nan 8.280 nan 0.000 0.505 362 R N -0.123 120.294 120.500 -0.138 0.000 2.080 362 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 362 R C 2.078 178.280 176.300 -0.162 0.000 1.137 362 R CA 2.435 58.429 56.100 -0.177 0.000 0.943 362 R CB -0.423 29.868 30.300 -0.015 0.000 0.846 362 R HN 0.426 nan 8.270 nan 0.000 0.431 363 L N -2.107 119.056 121.223 -0.100 0.000 2.286 363 L HA 0.301 4.640 4.340 -0.000 0.000 0.203 363 L C 0.915 177.789 176.870 0.008 0.000 1.068 363 L CA 0.339 55.151 54.840 -0.047 0.000 0.811 363 L CB 0.404 42.447 42.059 -0.025 0.000 0.989 363 L HN 0.444 nan 8.230 nan 0.000 0.467 364 G N -1.213 107.616 108.800 0.049 0.000 2.334 364 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.566 364 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.566 364 G C -2.663 172.369 174.900 0.221 0.000 1.413 364 G CA -0.738 44.415 45.100 0.088 0.000 0.993 364 G HN -0.241 nan 8.290 nan 0.000 0.642 365 P HA -0.082 nan 4.420 nan 0.000 0.216 365 P C 1.027 178.459 177.300 0.220 0.000 1.154 365 P CA 1.311 64.537 63.100 0.210 0.000 0.865 365 P CB 0.130 31.904 31.700 0.124 0.000 0.789 366 N N -0.826 117.924 118.700 0.083 0.000 2.451 366 N HA 0.083 4.823 4.740 -0.000 0.000 0.264 366 N C 0.800 176.133 175.510 -0.295 0.000 1.167 366 N CA -0.189 52.760 53.050 -0.168 0.000 0.898 366 N CB -0.415 37.957 38.487 -0.191 0.000 1.176 366 N HN 0.235 nan 8.380 nan 0.000 0.507 367 F N 1.061 120.975 119.950 -0.060 0.000 2.250 367 F HA -0.159 4.367 4.527 -0.000 0.000 0.301 367 F C 2.171 177.898 175.800 -0.121 0.000 1.077 367 F CA 1.069 59.019 58.000 -0.083 0.000 1.348 367 F CB -0.719 38.260 39.000 -0.035 0.000 1.040 367 F HN 0.191 nan 8.300 nan 0.000 0.509 368 H N 0.138 118.630 119.070 -0.963 0.000 2.546 368 H HA 0.064 4.620 4.556 -0.000 0.000 0.277 368 H C 1.092 176.209 175.328 -0.351 0.000 1.004 368 H CA 1.053 56.674 56.048 -0.711 0.000 1.231 368 H CB -0.811 28.383 29.762 -0.945 0.000 1.382 368 H HN 0.525 nan 8.280 nan 0.000 0.580 369 Q N 0.710 120.115 119.800 -0.658 0.000 2.425 369 Q HA 0.229 4.569 4.340 -0.000 0.000 0.204 369 Q C 0.476 176.370 176.000 -0.177 0.000 0.933 369 Q CA -0.167 55.416 55.803 -0.366 0.000 0.939 369 Q CB 0.700 29.207 28.738 -0.385 0.000 1.044 369 Q HN 0.437 nan 8.270 nan 0.000 0.513 370 I N 2.502 122.985 120.570 -0.144 0.000 2.618 370 I HA -0.048 4.121 4.170 -0.000 0.000 0.284 370 I C -1.547 174.545 176.117 -0.043 0.000 1.146 370 I CA -1.480 59.778 61.300 -0.070 0.000 1.425 370 I CB 0.768 38.736 38.000 -0.055 0.000 1.383 370 I HN -0.098 nan 8.210 nan 0.000 0.562 371 P HA -0.238 nan 4.420 nan 0.000 0.217 371 P C 1.581 178.905 177.300 0.040 0.000 1.158 371 P CA 1.402 64.499 63.100 -0.004 0.000 0.887 371 P CB 0.014 31.701 31.700 -0.022 0.000 0.792 372 V N -3.355 116.591 119.914 0.054 0.000 2.759 372 V HA -0.081 4.039 4.120 -0.000 0.000 0.256 372 V C 1.498 177.680 176.094 0.147 0.000 1.080 372 V CA 1.826 64.213 62.300 0.145 0.000 1.101 372 V CB -1.309 30.577 31.823 0.104 0.000 0.698 372 V HN 0.070 nan 8.190 nan 0.000 0.477 373 N N -0.373 118.345 118.700 0.031 0.000 2.373 373 N HA 0.102 4.842 4.740 -0.000 0.000 0.181 373 N C 0.702 176.236 175.510 0.040 0.000 1.082 373 N CA 0.626 53.664 53.050 -0.020 0.000 0.885 373 N CB 0.053 38.511 38.487 -0.049 0.000 0.977 373 N HN 0.582 nan 8.380 nan 0.000 0.462 374 C N 4.516 123.876 119.300 0.099 0.000 2.632 374 C HA 0.192 4.652 4.460 -0.000 0.000 0.415 374 C C -1.884 173.245 174.990 0.231 0.000 1.332 374 C CA -1.368 57.723 59.018 0.121 0.000 1.874 374 C CB 0.021 27.818 27.740 0.094 0.000 2.596 374 C HN 0.232 nan 8.230 nan 0.000 0.590 375 P HA 0.083 nan 4.420 nan 0.000 0.252 375 P C -0.083 177.304 177.300 0.145 0.000 1.727 375 P CA 0.164 63.359 63.100 0.159 0.000 1.134 375 P CB -0.370 31.385 31.700 0.091 0.000 1.876 376 Y N 2.201 122.580 120.300 0.130 0.000 2.293 376 Y HA 0.094 4.643 4.550 -0.000 0.000 0.291 376 Y C 1.959 177.881 175.900 0.037 0.000 1.137 376 Y CA 1.078 59.201 58.100 0.039 0.000 1.202 376 Y CB -1.273 37.149 38.460 -0.063 0.000 0.990 376 Y HN 0.231 nan 8.280 nan 0.000 0.537 377 A N -0.318 122.222 122.820 -0.466 0.000 2.208 377 A HA 0.239 4.558 4.320 -0.000 0.000 0.209 377 A C 1.099 178.619 177.584 -0.107 0.000 1.161 377 A CA 0.696 52.553 52.037 -0.299 0.000 0.782 377 A CB -0.409 18.324 19.000 -0.445 0.000 0.816 377 A HN 0.332 nan 8.150 nan 0.000 0.477 378 S N 0.008 115.678 115.700 -0.050 0.000 2.479 378 S HA 0.269 4.739 4.470 -0.000 0.000 0.169 378 S C -0.765 173.875 174.600 0.065 0.000 1.181 378 S CA -0.688 57.512 58.200 0.000 0.000 1.169 378 S CB -0.227 62.963 63.200 -0.017 0.000 1.384 378 S HN 0.392 nan 8.310 nan 0.000 0.412 379 K N 1.968 122.421 120.400 0.089 0.000 2.527 379 K HA 0.051 4.370 4.320 -0.000 0.000 0.278 379 K C 0.042 176.780 176.600 0.229 0.000 0.981 379 K CA 0.162 56.544 56.287 0.159 0.000 1.009 379 K CB 0.179 32.752 32.500 0.122 0.000 0.895 379 K HN 0.546 nan 8.250 nan 0.000 0.493 380 F N 5.041 125.097 119.950 0.178 0.000 2.541 380 F HA 0.228 4.754 4.527 -0.000 0.000 0.378 380 F C -0.812 175.235 175.800 0.411 0.000 1.068 380 F CA -0.461 57.681 58.000 0.236 0.000 1.199 380 F CB 0.006 39.155 39.000 0.248 0.000 1.091 380 F HN 0.334 nan 8.300 nan 0.000 0.555 381 F N 8.063 127.767 119.950 -0.409 0.000 2.607 381 F HA 0.421 4.948 4.527 -0.000 0.000 0.322 381 F C -1.877 173.556 175.800 -0.610 0.000 1.176 381 F CA -0.993 56.544 58.000 -0.772 0.000 0.977 381 F CB 0.961 39.637 39.000 -0.540 0.000 1.242 381 F HN 0.575 nan 8.300 nan 0.000 0.465 382 N N 8.232 126.128 118.700 -1.341 0.000 2.616 382 N HA 0.281 5.021 4.740 -0.000 0.000 0.281 382 N C -2.513 172.585 175.510 -0.687 0.000 1.145 382 N CA -1.398 51.134 53.050 -0.863 0.000 0.919 382 N CB 2.982 41.357 38.487 -0.187 0.000 1.509 382 N HN 0.302 nan 8.380 nan 0.000 0.537 383 P HA -0.089 nan 4.420 nan 0.000 0.219 383 P C 0.733 178.006 177.300 -0.046 0.000 1.146 383 P CA 0.996 63.922 63.100 -0.290 0.000 0.808 383 P CB 0.419 31.954 31.700 -0.274 0.000 0.779 384 A N -0.873 121.914 122.820 -0.055 0.000 2.238 384 A HA 0.183 4.503 4.320 -0.000 0.000 0.210 384 A C 1.377 179.025 177.584 0.106 0.000 1.179 384 A CA -0.069 51.992 52.037 0.040 0.000 0.827 384 A CB -0.544 18.463 19.000 0.012 0.000 0.856 384 A HN 0.130 nan 8.150 nan 0.000 0.488 385 I N 2.262 122.937 120.570 0.176 0.000 2.276 385 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 385 I C -0.282 176.044 176.117 0.349 0.000 1.109 385 I CA -0.394 61.069 61.300 0.272 0.000 1.229 385 I CB 0.134 38.369 38.000 0.392 0.000 1.452 385 I HN 0.150 nan 8.210 nan 0.000 0.497 386 R N 3.675 124.307 120.500 0.221 0.000 2.888 386 R HA 0.550 4.889 4.340 -0.000 0.000 0.264 386 R C -0.255 176.114 176.300 0.115 0.000 1.045 386 R CA -0.967 55.237 56.100 0.173 0.000 0.962 386 R CB 0.906 31.302 30.300 0.160 0.000 1.210 386 R HN 0.464 nan 8.270 nan 0.000 0.479 387 D N -0.203 120.241 120.400 0.074 0.000 3.301 387 D HA -0.182 4.458 4.640 -0.000 0.000 0.217 387 D C 0.351 176.680 176.300 0.048 0.000 1.548 387 D CA 2.201 56.231 54.000 0.051 0.000 1.118 387 D CB -0.982 39.852 40.800 0.056 0.000 0.684 387 D HN 0.899 nan 8.370 nan 0.000 0.821 388 G N -1.119 107.708 108.800 0.045 0.000 2.692 388 G HA2 0.155 4.115 3.960 -0.000 0.000 0.686 388 G HA3 0.155 4.115 3.960 -0.000 0.000 0.686 388 G C -2.771 172.145 174.900 0.027 0.000 1.243 388 G CA -0.344 44.782 45.100 0.045 0.000 0.782 388 G HN 0.561 nan 8.290 nan 0.000 0.625 389 P HA 0.287 nan 4.420 nan 0.000 0.265 389 P C 0.736 178.038 177.300 0.004 0.000 1.193 389 P CA 0.353 63.463 63.100 0.017 0.000 0.765 389 P CB 0.606 32.319 31.700 0.021 0.000 0.823 390 M N -0.775 118.823 119.600 -0.004 0.000 2.297 390 M HA -0.185 4.295 4.480 -0.000 0.000 0.200 390 M C -0.044 176.231 176.300 -0.042 0.000 0.414 390 M CA 0.372 55.663 55.300 -0.016 0.000 0.449 390 M CB -2.753 29.841 32.600 -0.011 0.000 1.436 390 M HN 0.502 nan 8.290 nan 0.000 0.912 391 N N 1.577 120.254 118.700 -0.039 0.000 2.415 391 N HA 0.351 5.091 4.740 -0.000 0.000 0.250 391 N C 0.964 176.437 175.510 -0.061 0.000 1.127 391 N CA 0.289 53.301 53.050 -0.062 0.000 0.945 391 N CB 0.828 39.288 38.487 -0.045 0.000 1.196 391 N HN 0.409 nan 8.380 nan 0.000 0.499 392 V N 1.279 121.148 119.914 -0.075 0.000 3.643 392 V HA 0.160 4.280 4.120 -0.000 0.000 0.280 392 V C 1.249 177.306 176.094 -0.061 0.000 1.351 392 V CA 0.252 62.517 62.300 -0.058 0.000 1.073 392 V CB -0.244 31.550 31.823 -0.049 0.000 0.863 392 V HN 0.544 nan 8.190 nan 0.000 0.436 393 N N 1.256 119.907 118.700 -0.082 0.000 2.322 393 N HA 0.323 5.063 4.740 -0.000 0.000 0.194 393 N C 1.349 176.811 175.510 -0.080 0.000 1.126 393 N CA 0.829 53.837 53.050 -0.069 0.000 0.845 393 N CB 0.617 39.070 38.487 -0.057 0.000 0.976 393 N HN 0.782 nan 8.380 nan 0.000 0.475 394 G N 0.799 109.548 108.800 -0.085 0.000 2.238 394 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 394 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 394 G C 0.271 175.114 174.900 -0.095 0.000 0.996 394 G CA -0.039 45.022 45.100 -0.065 0.000 0.632 394 G HN 0.567 nan 8.290 nan 0.000 0.503 395 N N -0.985 117.581 118.700 -0.223 0.000 2.740 395 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 395 N C 0.688 176.103 175.510 -0.159 0.000 1.062 395 N CA 1.634 54.516 53.050 -0.282 0.000 0.704 395 N CB -1.696 36.735 38.487 -0.094 0.000 0.968 395 N HN 1.377 nan 8.380 nan 0.000 0.547 396 F N -3.020 116.964 119.950 0.055 0.000 3.048 396 F HA -0.219 4.308 4.527 -0.000 0.000 0.287 396 F C 1.913 177.738 175.800 0.043 0.000 0.796 396 F CA 2.016 60.049 58.000 0.055 0.000 1.111 396 F CB -1.867 37.199 39.000 0.110 0.000 1.320 396 F HN 0.704 nan 8.300 nan 0.000 0.430 397 G N 0.411 109.297 108.800 0.144 0.000 2.622 397 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.307 397 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.307 397 G C 0.919 175.883 174.900 0.107 0.000 1.226 397 G CA 1.609 46.767 45.100 0.096 0.000 0.997 397 G HN 1.470 nan 8.290 nan 0.000 0.551 398 S N 0.879 116.631 115.700 0.087 0.000 2.671 398 S HA 0.320 4.790 4.470 -0.000 0.000 0.220 398 S C 0.570 175.230 174.600 0.100 0.000 0.951 398 S CA 0.830 59.080 58.200 0.083 0.000 0.932 398 S CB 0.304 63.537 63.200 0.055 0.000 0.777 398 S HN 0.602 nan 8.310 nan 0.000 0.508 399 E N 3.491 123.772 120.200 0.134 0.000 2.529 399 E HA 0.147 4.497 4.350 -0.000 0.000 0.259 399 E C -2.319 174.372 176.600 0.152 0.000 0.966 399 E CA -1.450 55.037 56.400 0.146 0.000 0.937 399 E CB -0.088 29.743 29.700 0.218 0.000 0.923 399 E HN 0.273 nan 8.360 nan 0.000 0.468 400 P HA -0.052 nan 4.420 nan 0.000 0.265 400 P C 0.452 177.842 177.300 0.149 0.000 1.187 400 P CA 0.450 63.629 63.100 0.132 0.000 0.766 400 P CB 0.365 32.047 31.700 -0.029 0.000 0.820 401 T N -0.618 114.090 114.554 0.256 0.000 3.278 401 T HA 0.251 4.601 4.350 -0.000 0.000 0.251 401 T C 0.055 174.907 174.700 0.253 0.000 1.039 401 T CA -0.043 62.186 62.100 0.215 0.000 0.935 401 T CB -1.056 67.923 68.868 0.186 0.000 1.034 401 T HN 0.456 nan 8.240 nan 0.000 0.575 402 Y N -1.555 118.737 120.300 -0.013 0.000 2.840 402 Y HA 0.613 5.163 4.550 -0.000 0.000 0.324 402 Y C -1.448 174.365 175.900 -0.145 0.000 1.378 402 Y CA -2.615 55.442 58.100 -0.072 0.000 1.077 402 Y CB 0.622 39.061 38.460 -0.036 0.000 1.361 402 Y HN -0.122 nan 8.280 nan 0.000 0.459 403 L N 2.899 123.871 121.223 -0.419 0.000 2.404 403 L HA 0.587 4.926 4.340 -0.000 0.000 0.277 403 L C 0.390 176.954 176.870 -0.510 0.000 1.184 403 L CA -0.557 53.876 54.840 -0.679 0.000 1.013 403 L CB -0.225 41.545 42.059 -0.482 0.000 1.318 403 L HN 0.769 nan 8.230 nan 0.000 0.435 404 A N 2.269 124.706 122.820 -0.638 0.000 2.488 404 A HA 0.111 4.431 4.320 -0.000 0.000 0.249 404 A C 1.123 178.718 177.584 0.018 0.000 1.083 404 A CA -0.310 51.462 52.037 -0.443 0.000 0.768 404 A CB 0.190 18.992 19.000 -0.329 0.000 1.017 404 A HN 0.702 nan 8.150 nan 0.000 0.496 405 N N 1.268 120.005 118.700 0.061 0.000 2.396 405 N HA -0.125 4.615 4.740 -0.000 0.000 0.180 405 N C 0.746 176.286 175.510 0.049 0.000 1.028 405 N CA 1.335 54.433 53.050 0.080 0.000 0.893 405 N CB 0.073 38.611 38.487 0.085 0.000 0.967 405 N HN 0.870 nan 8.380 nan 0.000 0.440 406 D N -0.112 120.307 120.400 0.033 0.000 2.349 406 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 406 D C 0.195 176.471 176.300 -0.039 0.000 1.029 406 D CA 0.447 54.449 54.000 0.004 0.000 0.879 406 D CB 0.402 41.211 40.800 0.014 0.000 0.906 406 D HN 0.116 nan 8.370 nan 0.000 0.528 407 K N -0.009 120.352 120.400 -0.065 0.000 2.350 407 K HA 0.408 4.728 4.320 -0.000 0.000 0.241 407 K C -0.914 175.482 176.600 -0.340 0.000 0.994 407 K CA -0.806 55.353 56.287 -0.212 0.000 0.839 407 K CB 2.458 34.795 32.500 -0.273 0.000 1.244 407 K HN -0.152 nan 8.250 nan 0.000 0.443 408 S N 0.916 116.316 115.700 -0.501 0.000 2.525 408 S HA 0.593 5.063 4.470 -0.000 0.000 0.290 408 S C -1.582 172.589 174.600 -0.715 0.000 1.152 408 S CA -0.488 57.458 58.200 -0.423 0.000 1.072 408 S CB 0.274 63.333 63.200 -0.236 0.000 1.027 408 S HN 0.420 nan 8.310 nan 0.000 0.500 409 Y N 1.115 121.408 120.300 -0.012 0.000 2.433 409 Y HA 0.367 4.917 4.550 -0.000 0.000 0.337 409 Y C 0.171 176.008 175.900 -0.106 0.000 1.026 409 Y CA -0.861 57.207 58.100 -0.054 0.000 1.037 409 Y CB 2.155 40.593 38.460 -0.038 0.000 1.245 409 Y HN 0.453 nan 8.280 nan 0.000 0.443 410 T N 3.062 117.560 114.554 -0.092 0.000 2.771 410 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 410 T C -1.288 173.208 174.700 -0.339 0.000 0.982 410 T CA -0.630 61.404 62.100 -0.111 0.000 0.978 410 T CB 0.137 68.962 68.868 -0.072 0.000 0.930 410 T HN 0.333 nan 8.240 nan 0.000 0.447 411 Y N 3.600 123.924 120.300 0.041 0.000 2.388 411 Y HA 0.471 5.020 4.550 -0.000 0.000 0.328 411 Y C 0.690 176.595 175.900 0.008 0.000 0.963 411 Y CA -1.351 56.759 58.100 0.017 0.000 1.240 411 Y CB 0.446 38.908 38.460 0.004 0.000 1.118 411 Y HN 0.594 nan 8.280 nan 0.000 0.484 412 I N -0.195 120.426 120.570 0.086 0.000 2.834 412 I HA 0.394 4.564 4.170 -0.000 0.000 0.305 412 I C 0.111 176.261 176.117 0.055 0.000 1.008 412 I CA -0.949 60.386 61.300 0.057 0.000 1.273 412 I CB 1.039 39.054 38.000 0.025 0.000 1.432 412 I HN 0.707 nan 8.210 nan 0.000 0.557 413 Q N 1.475 121.298 119.800 0.038 0.000 2.453 413 Q HA -0.218 4.122 4.340 -0.000 0.000 0.294 413 Q C 0.806 176.808 176.000 0.004 0.000 1.295 413 Q CA 0.642 56.455 55.803 0.017 0.000 0.853 413 Q CB -1.168 27.560 28.738 -0.016 0.000 1.193 413 Q HN 0.782 nan 8.270 nan 0.000 0.461 414 Q N 0.131 119.946 119.800 0.026 0.000 2.135 414 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 414 Q C 0.780 176.774 176.000 -0.010 0.000 0.981 414 Q CA 1.376 57.188 55.803 0.016 0.000 0.856 414 Q CB 0.130 28.885 28.738 0.028 0.000 0.902 414 Q HN 0.499 nan 8.270 nan 0.000 0.425 415 D N -0.111 120.285 120.400 -0.008 0.000 2.363 415 D HA 0.027 4.667 4.640 -0.000 0.000 0.214 415 D C 0.150 176.430 176.300 -0.034 0.000 1.093 415 D CA -0.026 53.965 54.000 -0.016 0.000 0.837 415 D CB 0.252 41.051 40.800 -0.002 0.000 0.948 415 D HN 0.090 nan 8.370 nan 0.000 0.507 416 R N 2.715 123.184 120.500 -0.053 0.000 2.401 416 R HA 0.155 4.495 4.340 -0.000 0.000 0.299 416 R C -2.356 173.851 176.300 -0.154 0.000 1.064 416 R CA -0.934 55.102 56.100 -0.107 0.000 1.000 416 R CB 0.704 30.906 30.300 -0.163 0.000 0.973 416 R HN -0.122 nan 8.270 nan 0.000 0.438 417 P HA 0.086 nan 4.420 nan 0.000 0.277 417 P C 0.161 177.357 177.300 -0.174 0.000 1.240 417 P CA -0.188 62.785 63.100 -0.212 0.000 0.798 417 P CB 1.132 32.631 31.700 -0.334 0.000 0.979 418 I N 0.863 121.408 120.570 -0.041 0.000 2.594 418 I HA -0.032 4.138 4.170 -0.000 0.000 0.237 418 I C 1.869 178.061 176.117 0.125 0.000 1.071 418 I CA 0.930 62.237 61.300 0.010 0.000 1.427 418 I CB -0.154 37.844 38.000 -0.003 0.000 1.218 418 I HN 0.339 nan 8.210 nan 0.000 0.444 419 Q N -0.503 119.363 119.800 0.110 0.000 2.081 419 Q HA 0.082 4.422 4.340 -0.000 0.000 0.220 419 Q C 1.518 177.527 176.000 0.015 0.000 0.775 419 Q CA -0.112 55.713 55.803 0.036 0.000 0.983 419 Q CB 1.192 29.923 28.738 -0.011 0.000 1.188 419 Q HN 0.319 nan 8.270 nan 0.000 0.458 420 Q N 0.023 119.888 119.800 0.108 0.000 2.124 420 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 420 Q C 1.372 177.404 176.000 0.053 0.000 0.977 420 Q CA 1.989 57.829 55.803 0.061 0.000 0.850 420 Q CB -0.672 28.101 28.738 0.059 0.000 0.901 420 Q HN 0.660 nan 8.270 nan 0.000 0.429 421 H N -1.636 117.386 119.070 -0.081 0.000 2.563 421 H HA 0.149 4.705 4.556 -0.000 0.000 0.272 421 H C 0.783 176.043 175.328 -0.113 0.000 1.005 421 H CA -0.076 55.942 56.048 -0.049 0.000 1.171 421 H CB 0.158 29.925 29.762 0.007 0.000 1.351 421 H HN 0.221 nan 8.280 nan 0.000 0.602 422 Q N 0.738 120.198 119.800 -0.567 0.000 3.058 422 Q HA 0.195 4.535 4.340 -0.000 0.000 0.200 422 Q C -0.283 175.497 176.000 -0.366 0.000 1.157 422 Q CA -0.949 54.358 55.803 -0.827 0.000 0.438 422 Q CB 0.580 28.464 28.738 -1.424 0.000 5.373 422 Q HN 0.352 nan 8.270 nan 0.000 0.311 423 E N 0.612 120.555 120.200 -0.429 0.000 2.415 423 E HA 0.128 4.478 4.350 -0.000 0.000 0.262 423 E C -1.168 175.022 176.600 -0.683 0.000 1.038 423 E CA 0.010 56.100 56.400 -0.517 0.000 0.921 423 E CB 0.515 29.672 29.700 -0.905 0.000 0.950 423 E HN 0.068 nan 8.360 nan 0.000 0.438 424 V N 3.330 122.895 119.914 -0.582 0.000 2.350 424 V HA 0.234 4.354 4.120 -0.000 0.000 0.276 424 V C -0.663 175.123 176.094 -0.513 0.000 1.028 424 V CA -0.675 61.373 62.300 -0.421 0.000 0.860 424 V CB 0.117 31.827 31.823 -0.188 0.000 0.990 424 V HN 0.587 nan 8.190 nan 0.000 0.453 425 W N 3.719 125.005 121.300 -0.024 0.000 2.381 425 W HA 0.529 5.189 4.660 -0.000 0.000 0.329 425 W C 0.496 176.994 176.519 -0.036 0.000 1.157 425 W CA -0.262 57.061 57.345 -0.037 0.000 1.240 425 W CB 0.745 30.167 29.460 -0.064 0.000 1.199 425 W HN 0.488 nan 8.180 nan 0.000 0.579 426 N N 1.115 119.943 118.700 0.214 0.000 2.369 426 N HA 0.579 5.319 4.740 -0.000 0.000 0.287 426 N C -0.762 174.792 175.510 0.073 0.000 1.067 426 N CA -0.102 53.009 53.050 0.101 0.000 0.888 426 N CB 1.857 40.373 38.487 0.049 0.000 1.616 426 N HN 0.712 nan 8.380 nan 0.000 0.482 427 G N 2.360 111.183 108.800 0.038 0.000 2.353 427 G HA2 0.126 4.086 3.960 -0.000 0.000 0.308 427 G HA3 0.126 4.086 3.960 -0.000 0.000 0.308 427 G C -2.953 171.943 174.900 -0.007 0.000 1.418 427 G CA -0.790 44.313 45.100 0.006 0.000 0.966 427 G HN 0.515 nan 8.290 nan 0.000 0.638 428 P HA 0.622 nan 4.420 nan 0.000 0.277 428 P C 0.033 177.309 177.300 -0.040 0.000 1.271 428 P CA 0.085 63.171 63.100 -0.023 0.000 0.795 428 P CB 0.821 32.511 31.700 -0.017 0.000 1.101 429 A N 1.250 124.047 122.820 -0.039 0.000 2.457 429 A HA 0.340 4.660 4.320 -0.000 0.000 0.298 429 A C 0.449 178.012 177.584 -0.036 0.000 1.288 429 A CA -0.359 51.648 52.037 -0.049 0.000 0.956 429 A CB -1.310 17.664 19.000 -0.044 0.000 1.135 429 A HN 0.433 nan 8.150 nan 0.000 0.535 430 I N 4.999 125.543 120.570 -0.043 0.000 2.336 430 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 430 I C -1.615 174.516 176.117 0.023 0.000 0.991 430 I CA -1.858 59.436 61.300 -0.010 0.000 1.227 430 I CB 1.717 39.699 38.000 -0.030 0.000 1.366 430 I HN 0.532 nan 8.210 nan 0.000 0.466 431 P HA 0.110 nan 4.420 nan 0.000 0.276 431 P C -1.470 175.924 177.300 0.155 0.000 1.264 431 P CA 0.111 63.253 63.100 0.070 0.000 0.769 431 P CB 0.410 32.135 31.700 0.040 0.000 0.840 432 Y N 2.267 122.566 120.300 -0.002 0.000 2.425 432 Y HA 0.364 4.913 4.550 -0.000 0.000 0.344 432 Y C -0.799 175.169 175.900 0.114 0.000 0.969 432 Y CA -1.002 57.113 58.100 0.026 0.000 1.052 432 Y CB 1.995 40.427 38.460 -0.047 0.000 1.215 432 Y HN 0.512 nan 8.280 nan 0.000 0.451 433 H N 6.079 124.807 119.070 -0.571 0.000 2.762 433 H HA 0.144 4.700 4.556 -0.000 0.000 0.310 433 H C -1.131 173.819 175.328 -0.631 0.000 1.004 433 H CA -0.804 55.004 56.048 -0.399 0.000 1.267 433 H CB 0.570 30.204 29.762 -0.212 0.000 1.437 433 H HN 0.830 nan 8.280 nan 0.000 0.498 434 W N 6.219 127.317 121.300 -0.335 0.000 1.395 434 W HA 0.350 5.010 4.660 -0.000 0.000 0.451 434 W C -0.250 176.208 176.519 -0.101 0.000 0.619 434 W CA -0.803 56.416 57.345 -0.210 0.000 2.212 434 W CB -1.380 28.161 29.460 0.135 0.000 1.537 434 W HN 0.643 nan 8.180 nan 0.000 0.275 435 A N 1.420 124.158 122.820 -0.137 0.000 2.475 435 A HA 0.207 4.527 4.320 -0.000 0.000 0.239 435 A C 0.831 178.351 177.584 -0.107 0.000 1.087 435 A CA 0.103 51.998 52.037 -0.236 0.000 0.779 435 A CB -0.007 18.692 19.000 -0.502 0.000 1.036 435 A HN 0.297 nan 8.150 nan 0.000 0.506 436 T N 2.676 117.166 114.554 -0.108 0.000 2.800 436 T HA 0.176 4.525 4.350 -0.000 0.000 0.283 436 T C 0.737 175.427 174.700 -0.016 0.000 0.999 436 T CA 0.560 62.612 62.100 -0.080 0.000 1.176 436 T CB -0.382 68.462 68.868 -0.041 0.000 0.973 436 T HN 0.640 nan 8.240 nan 0.000 0.519 437 S N 5.330 121.034 115.700 0.006 0.000 2.573 437 S HA 0.196 4.666 4.470 -0.000 0.000 0.277 437 S C -1.751 172.894 174.600 0.076 0.000 1.346 437 S CA -1.116 57.124 58.200 0.067 0.000 1.034 437 S CB -0.007 63.249 63.200 0.094 0.000 0.879 437 S HN 0.519 nan 8.310 nan 0.000 0.528 438 P HA 0.374 nan 4.420 nan 0.000 0.268 438 P C 0.774 178.115 177.300 0.068 0.000 1.208 438 P CA 0.748 63.883 63.100 0.058 0.000 0.777 438 P CB 0.002 31.730 31.700 0.047 0.000 0.875 439 G N 2.125 110.955 108.800 0.049 0.000 2.584 439 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.229 439 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.229 439 G C 0.405 175.354 174.900 0.082 0.000 1.320 439 G CA 0.348 45.476 45.100 0.047 0.000 0.891 439 G HN 0.483 nan 8.290 nan 0.000 0.573 440 D N -0.930 119.521 120.400 0.085 0.000 2.354 440 D HA 0.203 4.843 4.640 -0.000 0.000 0.209 440 D C 2.436 178.837 176.300 0.168 0.000 1.015 440 D CA 1.135 55.212 54.000 0.128 0.000 0.867 440 D CB 0.409 41.252 40.800 0.070 0.000 0.933 440 D HN 0.590 nan 8.370 nan 0.000 0.520 441 V N 0.666 120.655 119.914 0.126 0.000 2.380 441 V HA -0.207 3.913 4.120 -0.000 0.000 0.251 441 V C 0.765 176.874 176.094 0.025 0.000 1.063 441 V CA 2.052 64.407 62.300 0.092 0.000 1.055 441 V CB -0.160 31.724 31.823 0.102 0.000 0.657 441 V HN 0.128 nan 8.190 nan 0.000 0.455 442 D N -1.540 118.858 120.400 -0.004 0.000 2.328 442 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 442 D C 1.128 177.114 176.300 -0.523 0.000 1.072 442 D CA 0.477 54.329 54.000 -0.246 0.000 0.850 442 D CB 0.251 40.861 40.800 -0.315 0.000 0.922 442 D HN 0.584 nan 8.370 nan 0.000 0.516 443 F N -0.722 119.177 119.950 -0.085 0.000 2.752 443 F HA 0.064 4.591 4.527 -0.000 0.000 0.310 443 F C 2.112 177.860 175.800 -0.087 0.000 1.097 443 F CA -0.073 57.875 58.000 -0.086 0.000 1.238 443 F CB 0.134 39.094 39.000 -0.068 0.000 1.061 443 F HN -0.209 nan 8.300 nan 0.000 0.591 444 V N 0.416 120.367 119.914 0.061 0.000 2.252 444 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 444 V C 2.191 178.242 176.094 -0.071 0.000 1.056 444 V CA 2.199 64.508 62.300 0.016 0.000 1.022 444 V CB -0.568 31.269 31.823 0.022 0.000 0.641 444 V HN 0.363 nan 8.190 nan 0.000 0.445 445 Q N -0.892 118.781 119.800 -0.212 0.000 2.291 445 Q HA -0.071 4.269 4.340 -0.000 0.000 0.205 445 Q C 2.301 178.008 176.000 -0.488 0.000 0.970 445 Q CA 1.270 56.839 55.803 -0.391 0.000 0.876 445 Q CB -0.254 28.104 28.738 -0.634 0.000 0.935 445 Q HN 0.707 nan 8.270 nan 0.000 0.455 446 A N 1.201 123.816 122.820 -0.341 0.000 1.929 446 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 446 A C 2.024 179.633 177.584 0.042 0.000 1.176 446 A CA 1.101 53.067 52.037 -0.120 0.000 0.628 446 A CB -0.327 18.645 19.000 -0.047 0.000 0.816 446 A HN 0.178 nan 8.150 nan 0.000 0.444 447 R N -0.142 120.389 120.500 0.052 0.000 2.090 447 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 447 R C 1.410 177.791 176.300 0.135 0.000 1.110 447 R CA 1.448 57.622 56.100 0.124 0.000 0.973 447 R CB -0.205 30.157 30.300 0.103 0.000 0.869 447 R HN 0.519 nan 8.270 nan 0.000 0.440 448 N N 0.847 119.581 118.700 0.056 0.000 2.409 448 N HA -0.140 4.600 4.740 -0.000 0.000 0.179 448 N C 1.596 177.146 175.510 0.067 0.000 1.032 448 N CA 0.434 53.515 53.050 0.053 0.000 0.898 448 N CB -0.003 38.494 38.487 0.017 0.000 0.971 448 N HN 0.252 nan 8.380 nan 0.000 0.441 449 L N 0.254 121.521 121.223 0.074 0.000 2.109 449 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 449 L C 1.988 178.966 176.870 0.181 0.000 1.086 449 L CA 1.429 56.343 54.840 0.124 0.000 0.760 449 L CB -0.783 41.372 42.059 0.160 0.000 0.910 449 L HN 0.061 nan 8.230 nan 0.000 0.437 450 Y N 1.355 121.699 120.300 0.074 0.000 2.224 450 Y HA -0.199 4.351 4.550 -0.000 0.000 0.289 450 Y C 2.771 178.709 175.900 0.063 0.000 1.146 450 Y CA 1.655 59.804 58.100 0.082 0.000 1.182 450 Y CB -0.180 38.335 38.460 0.091 0.000 0.983 450 Y HN 0.147 nan 8.280 nan 0.000 0.524 451 R N -1.138 119.380 120.500 0.031 0.000 2.092 451 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 451 R C 2.202 178.468 176.300 -0.056 0.000 1.119 451 R CA 1.375 57.441 56.100 -0.056 0.000 0.970 451 R CB -0.552 29.760 30.300 0.020 0.000 0.864 451 R HN 0.217 nan 8.270 nan 0.000 0.440 452 V N 1.523 121.436 119.914 -0.001 0.000 2.427 452 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 452 V C 2.120 178.211 176.094 -0.005 0.000 1.051 452 V CA 1.525 63.833 62.300 0.013 0.000 1.048 452 V CB -0.311 31.542 31.823 0.050 0.000 0.666 452 V HN 0.305 nan 8.190 nan 0.000 0.456 453 L N 0.295 121.506 121.223 -0.020 0.000 2.376 453 L HA -0.002 4.338 4.340 -0.000 0.000 0.219 453 L C 2.436 179.244 176.870 -0.103 0.000 1.133 453 L CA 1.147 55.969 54.840 -0.031 0.000 0.816 453 L CB -0.849 41.215 42.059 0.009 0.000 0.933 453 L HN 0.460 nan 8.230 nan 0.000 0.449 454 G N 0.032 108.727 108.800 -0.176 0.000 2.511 454 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.217 454 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.217 454 G C 1.643 176.494 174.900 -0.082 0.000 1.133 454 G CA 0.114 45.110 45.100 -0.173 0.000 0.792 454 G HN 0.307 nan 8.290 nan 0.000 0.539 455 K N -0.250 120.119 120.400 -0.051 0.000 2.366 455 K HA 0.082 4.402 4.320 -0.000 0.000 0.198 455 K C 0.541 177.136 176.600 -0.010 0.000 1.044 455 K CA 0.346 56.620 56.287 -0.022 0.000 0.973 455 K CB 0.237 32.733 32.500 -0.007 0.000 0.767 455 K HN 0.286 nan 8.250 nan 0.000 0.475 456 Q N 1.790 121.585 119.800 -0.008 0.000 2.466 456 Q HA 0.179 4.519 4.340 -0.000 0.000 0.242 456 Q C -2.474 173.526 176.000 0.001 0.000 1.046 456 Q CA -2.238 53.568 55.803 0.006 0.000 0.841 456 Q CB 1.144 29.895 28.738 0.023 0.000 1.193 456 Q HN 0.013 nan 8.270 nan 0.000 0.508 457 P HA -0.042 nan 4.420 nan 0.000 0.264 457 P C 0.653 177.955 177.300 0.003 0.000 1.193 457 P CA 0.954 64.052 63.100 -0.004 0.000 0.763 457 P CB 1.163 32.861 31.700 -0.003 0.000 0.810 458 G N 3.127 111.928 108.800 0.001 0.000 2.258 458 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.233 458 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.233 458 G C 1.125 176.042 174.900 0.028 0.000 1.006 458 G CA -0.086 45.019 45.100 0.009 0.000 0.620 458 G HN 0.467 nan 8.290 nan 0.000 0.511 459 Q N 0.342 120.161 119.800 0.031 0.000 2.224 459 Q HA -0.016 4.324 4.340 -0.000 0.000 0.203 459 Q C 2.622 178.670 176.000 0.080 0.000 0.970 459 Q CA 1.790 57.628 55.803 0.058 0.000 0.865 459 Q CB -0.207 28.563 28.738 0.052 0.000 0.922 459 Q HN 0.834 nan 8.270 nan 0.000 0.445 460 Q N -0.031 119.794 119.800 0.042 0.000 2.123 460 Q HA -0.068 4.272 4.340 -0.000 0.000 0.199 460 Q C 1.886 177.975 176.000 0.149 0.000 0.966 460 Q CA 0.783 56.643 55.803 0.096 0.000 0.845 460 Q CB 0.085 28.794 28.738 -0.048 0.000 0.907 460 Q HN 0.257 nan 8.270 nan 0.000 0.439 461 K N 0.382 120.837 120.400 0.092 0.000 2.103 461 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 461 K C 1.726 178.402 176.600 0.128 0.000 1.052 461 K CA 0.922 57.264 56.287 0.091 0.000 0.945 461 K CB 0.109 32.635 32.500 0.043 0.000 0.722 461 K HN 0.082 nan 8.250 nan 0.000 0.443 462 N N 1.099 119.874 118.700 0.125 0.000 2.188 462 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 462 N C 1.630 177.274 175.510 0.223 0.000 1.018 462 N CA 0.689 53.847 53.050 0.180 0.000 0.858 462 N CB -0.195 38.375 38.487 0.139 0.000 0.989 462 N HN 0.043 nan 8.380 nan 0.000 0.426 463 L N 0.935 122.274 121.223 0.194 0.000 2.017 463 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 463 L C 1.991 178.928 176.870 0.112 0.000 1.073 463 L CA 1.674 56.631 54.840 0.195 0.000 0.745 463 L CB -0.900 41.295 42.059 0.228 0.000 0.894 463 L HN 0.135 nan 8.230 nan 0.000 0.432 464 A N -1.608 121.267 122.820 0.093 0.000 1.933 464 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 464 A C 2.279 179.889 177.584 0.043 0.000 1.175 464 A CA 1.786 53.827 52.037 0.005 0.000 0.628 464 A CB -1.122 17.898 19.000 0.034 0.000 0.814 464 A HN 0.654 nan 8.150 nan 0.000 0.444 465 Y N 1.390 121.699 120.300 0.016 0.000 2.220 465 Y HA -0.160 4.390 4.550 -0.000 0.000 0.291 465 Y C 2.114 178.056 175.900 0.070 0.000 1.129 465 Y CA 1.893 60.012 58.100 0.032 0.000 1.161 465 Y CB -0.235 38.250 38.460 0.043 0.000 0.997 465 Y HN 0.321 nan 8.280 nan 0.000 0.522 466 N N 0.593 119.349 118.700 0.093 0.000 2.166 466 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 466 N C 1.898 177.517 175.510 0.182 0.000 1.019 466 N CA 2.014 55.161 53.050 0.163 0.000 0.856 466 N CB -0.381 38.322 38.487 0.360 0.000 0.993 466 N HN 0.465 nan 8.380 nan 0.000 0.426 467 I N 0.213 120.762 120.570 -0.036 0.000 2.333 467 I HA -0.066 4.104 4.170 -0.000 0.000 0.246 467 I C 2.446 178.429 176.117 -0.223 0.000 1.106 467 I CA 0.963 62.045 61.300 -0.364 0.000 1.411 467 I CB -0.617 37.020 38.000 -0.604 0.000 1.082 467 I HN 0.097 nan 8.210 nan 0.000 0.420 468 G N 2.268 110.954 108.800 -0.190 0.000 2.440 468 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 468 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 468 G C 1.668 176.489 174.900 -0.133 0.000 1.154 468 G CA 1.135 46.147 45.100 -0.147 0.000 0.767 468 G HN 0.579 nan 8.290 nan 0.000 0.552 469 I N -3.126 117.316 120.570 -0.213 0.000 2.676 469 I HA 0.006 4.176 4.170 -0.000 0.000 0.259 469 I C 2.359 178.452 176.117 -0.041 0.000 1.194 469 I CA 1.418 62.609 61.300 -0.180 0.000 1.473 469 I CB -0.458 37.341 38.000 -0.334 0.000 1.096 469 I HN 0.077 nan 8.210 nan 0.000 0.443 470 H N 1.784 120.837 119.070 -0.029 0.000 2.384 470 H HA 0.048 4.604 4.556 -0.000 0.000 0.300 470 H C 2.236 177.625 175.328 0.101 0.000 1.057 470 H CA 1.696 57.790 56.048 0.078 0.000 1.370 470 H CB 0.246 30.164 29.762 0.260 0.000 1.417 470 H HN 0.264 nan 8.280 nan 0.000 0.527 471 V N 1.810 121.826 119.914 0.169 0.000 2.626 471 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 471 V C 2.616 178.674 176.094 -0.060 0.000 1.067 471 V CA 1.712 63.962 62.300 -0.083 0.000 1.081 471 V CB -0.350 31.247 31.823 -0.377 0.000 0.686 471 V HN 0.420 nan 8.190 nan 0.000 0.468 472 E N 1.218 121.398 120.200 -0.034 0.000 2.118 472 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 472 E C 2.208 178.794 176.600 -0.024 0.000 0.992 472 E CA 1.674 58.058 56.400 -0.027 0.000 0.804 472 E CB -0.391 29.289 29.700 -0.034 0.000 0.741 472 E HN 0.575 nan 8.360 nan 0.000 0.458 473 G N 0.490 109.271 108.800 -0.032 0.000 2.598 473 G HA2 0.070 4.030 3.960 -0.000 0.000 0.215 473 G HA3 0.070 4.030 3.960 -0.000 0.000 0.215 473 G C 0.700 175.602 174.900 0.004 0.000 1.131 473 G CA 0.527 45.607 45.100 -0.034 0.000 0.785 473 G HN 0.421 nan 8.290 nan 0.000 0.539 474 A N -0.492 122.349 122.820 0.034 0.000 2.304 474 A HA 0.498 4.818 4.320 -0.000 0.000 0.271 474 A C 0.882 178.472 177.584 0.011 0.000 1.091 474 A CA 0.014 52.086 52.037 0.057 0.000 0.812 474 A CB 0.111 19.162 19.000 0.086 0.000 1.056 474 A HN 0.874 nan 8.150 nan 0.000 0.489 475 C N 1.228 120.539 119.300 0.018 0.000 2.604 475 C HA 0.518 4.977 4.460 -0.000 0.000 0.396 475 C C -0.643 174.336 174.990 -0.018 0.000 1.282 475 C CA -1.069 57.951 59.018 0.004 0.000 2.292 475 C CB 0.555 28.303 27.740 0.015 0.000 2.633 475 C HN 0.701 nan 8.230 nan 0.000 0.620 476 P HA -0.199 nan 4.420 nan 0.000 0.218 476 P C 1.284 178.557 177.300 -0.045 0.000 1.146 476 P CA 1.939 65.023 63.100 -0.025 0.000 0.813 476 P CB 0.053 31.754 31.700 0.003 0.000 0.778 477 Q N -0.425 119.358 119.800 -0.028 0.000 2.046 477 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 477 Q C 2.492 178.460 176.000 -0.053 0.000 0.975 477 Q CA 1.138 56.925 55.803 -0.028 0.000 0.836 477 Q CB -0.473 28.262 28.738 -0.006 0.000 0.896 477 Q HN 0.304 nan 8.270 nan 0.000 0.428 478 I N 0.763 121.307 120.570 -0.043 0.000 2.439 478 I HA -0.253 3.917 4.170 -0.000 0.000 0.251 478 I C 2.318 178.325 176.117 -0.183 0.000 1.139 478 I CA 1.001 62.275 61.300 -0.043 0.000 1.438 478 I CB -0.241 37.788 38.000 0.048 0.000 1.085 478 I HN 0.274 nan 8.210 nan 0.000 0.427 479 Q N 0.285 119.922 119.800 -0.270 0.000 2.096 479 Q HA -0.248 4.091 4.340 -0.000 0.000 0.204 479 Q C 2.271 177.699 176.000 -0.952 0.000 0.982 479 Q CA 1.273 56.720 55.803 -0.594 0.000 0.850 479 Q CB -0.129 28.354 28.738 -0.426 0.000 0.901 479 Q HN 0.472 nan 8.270 nan 0.000 0.422 480 Q N 0.481 120.006 119.800 -0.459 0.000 2.124 480 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 480 Q C 1.964 177.857 176.000 -0.179 0.000 0.977 480 Q CA 1.335 56.997 55.803 -0.235 0.000 0.850 480 Q CB -0.077 28.637 28.738 -0.041 0.000 0.901 480 Q HN 0.361 nan 8.270 nan 0.000 0.429 481 R N -0.474 119.925 120.500 -0.168 0.000 2.092 481 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 481 R C 2.380 178.612 176.300 -0.114 0.000 1.119 481 R CA 1.005 57.048 56.100 -0.094 0.000 0.970 481 R CB -0.223 30.048 30.300 -0.048 0.000 0.864 481 R HN 0.042 nan 8.270 nan 0.000 0.440 482 V N 0.316 120.085 119.914 -0.243 0.000 2.358 482 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 482 V C 1.876 177.966 176.094 -0.006 0.000 1.047 482 V CA 1.628 63.790 62.300 -0.231 0.000 1.035 482 V CB -0.565 30.900 31.823 -0.597 0.000 0.658 482 V HN 0.213 nan 8.190 nan 0.000 0.452 483 Y N 0.368 120.655 120.300 -0.022 0.000 2.181 483 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 483 Y C 2.446 178.356 175.900 0.017 0.000 1.146 483 Y CA 1.026 59.127 58.100 0.001 0.000 1.164 483 Y CB -1.092 37.342 38.460 -0.044 0.000 0.982 483 Y HN 0.294 nan 8.280 nan 0.000 0.515 484 D N -0.362 120.110 120.400 0.120 0.000 2.117 484 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 484 D C 2.351 178.641 176.300 -0.016 0.000 0.987 484 D CA 1.181 55.203 54.000 0.036 0.000 0.829 484 D CB -0.386 40.413 40.800 -0.002 0.000 0.961 484 D HN 0.311 nan 8.370 nan 0.000 0.460 485 M N -1.038 118.541 119.600 -0.035 0.000 2.132 485 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 485 M C 1.372 177.587 176.300 -0.141 0.000 1.065 485 M CA 1.344 56.579 55.300 -0.109 0.000 1.122 485 M CB -0.054 32.449 32.600 -0.161 0.000 1.365 485 M HN -0.081 nan 8.290 nan 0.000 0.411 486 F N 0.170 120.125 119.950 0.008 0.000 2.456 486 F HA 0.115 4.642 4.527 -0.000 0.000 0.298 486 F C 2.459 178.225 175.800 -0.058 0.000 1.104 486 F CA 0.943 58.933 58.000 -0.016 0.000 1.435 486 F CB -0.700 38.271 39.000 -0.048 0.000 1.078 486 F HN 0.218 nan 8.300 nan 0.000 0.546 487 A N -0.176 122.705 122.820 0.100 0.000 2.015 487 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 487 A C 2.272 179.828 177.584 -0.047 0.000 1.163 487 A CA 1.124 53.171 52.037 0.017 0.000 0.646 487 A CB -0.663 18.339 19.000 0.004 0.000 0.806 487 A HN 0.310 nan 8.150 nan 0.000 0.448 488 R N -0.584 119.848 120.500 -0.113 0.000 2.189 488 R HA -0.028 4.312 4.340 -0.000 0.000 0.223 488 R C 1.588 177.801 176.300 -0.145 0.000 1.092 488 R CA 1.280 57.231 56.100 -0.249 0.000 0.989 488 R CB -0.134 29.825 30.300 -0.568 0.000 0.876 488 R HN 0.364 nan 8.270 nan 0.000 0.457 489 V N -0.481 119.427 119.914 -0.009 0.000 2.331 489 V HA -0.024 4.096 4.120 -0.000 0.000 0.242 489 V C 0.191 176.288 176.094 0.006 0.000 1.034 489 V CA 1.389 63.724 62.300 0.059 0.000 1.027 489 V CB -0.073 31.814 31.823 0.107 0.000 0.667 489 V HN 0.324 nan 8.190 nan 0.000 0.457 490 D N -2.243 118.134 120.400 -0.037 0.000 2.804 490 D HA 0.239 4.879 4.640 -0.000 0.000 0.209 490 D C 0.377 176.651 176.300 -0.043 0.000 1.314 490 D CA -0.389 53.584 54.000 -0.045 0.000 0.894 490 D CB 1.258 41.979 40.800 -0.131 0.000 1.615 490 D HN -0.109 nan 8.370 nan 0.000 0.571 491 K N 1.626 122.018 120.400 -0.014 0.000 2.209 491 K HA 0.014 4.334 4.320 -0.000 0.000 0.204 491 K C 1.912 178.500 176.600 -0.020 0.000 1.048 491 K CA 1.140 57.417 56.287 -0.017 0.000 0.940 491 K CB 0.106 32.599 32.500 -0.012 0.000 0.729 491 K HN 0.491 nan 8.250 nan 0.000 0.451 492 G N 1.354 110.156 108.800 0.002 0.000 2.402 492 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 492 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 492 G C 1.406 176.302 174.900 -0.008 0.000 1.162 492 G CA 0.255 45.366 45.100 0.020 0.000 0.777 492 G HN 0.144 nan 8.290 nan 0.000 0.539 493 L N 0.584 121.765 121.223 -0.069 0.000 2.012 493 L HA -0.131 4.208 4.340 -0.000 0.000 0.210 493 L C 3.041 179.827 176.870 -0.141 0.000 1.073 493 L CA 1.806 56.545 54.840 -0.167 0.000 0.748 493 L CB -0.336 41.464 42.059 -0.432 0.000 0.891 493 L HN 0.376 nan 8.230 nan 0.000 0.431 494 S N -0.672 114.975 115.700 -0.088 0.000 2.370 494 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 494 S C 1.805 176.313 174.600 -0.154 0.000 1.033 494 S CA 1.420 59.586 58.200 -0.057 0.000 1.011 494 S CB -0.140 63.066 63.200 0.011 0.000 0.852 494 S HN 0.424 nan 8.310 nan 0.000 0.457 495 E N 1.258 121.379 120.200 -0.131 0.000 2.077 495 E HA -0.024 4.325 4.350 -0.000 0.000 0.193 495 E C 2.347 178.855 176.600 -0.153 0.000 0.989 495 E CA 1.174 57.480 56.400 -0.157 0.000 0.800 495 E CB -0.808 28.836 29.700 -0.093 0.000 0.746 495 E HN 0.595 nan 8.360 nan 0.000 0.452 496 A N 0.934 123.693 122.820 -0.102 0.000 1.930 496 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 496 A C 2.334 179.860 177.584 -0.096 0.000 1.175 496 A CA 0.924 52.919 52.037 -0.069 0.000 0.627 496 A CB -0.563 18.426 19.000 -0.018 0.000 0.815 496 A HN 0.173 nan 8.150 nan 0.000 0.443 497 I N -0.684 119.795 120.570 -0.152 0.000 2.252 497 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 497 I C 2.507 178.528 176.117 -0.159 0.000 1.102 497 I CA 1.760 62.963 61.300 -0.162 0.000 1.385 497 I CB -0.183 37.687 38.000 -0.218 0.000 1.064 497 I HN 0.346 nan 8.210 nan 0.000 0.414 498 K N 1.397 121.578 120.400 -0.365 0.000 2.097 498 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 498 K C 2.078 178.533 176.600 -0.242 0.000 1.049 498 K CA 1.408 57.357 56.287 -0.564 0.000 0.933 498 K CB 0.086 32.041 32.500 -0.910 0.000 0.717 498 K HN 0.162 nan 8.250 nan 0.000 0.442 499 K N -0.045 120.256 120.400 -0.165 0.000 2.057 499 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 499 K C 1.941 178.520 176.600 -0.036 0.000 1.049 499 K CA 1.488 57.725 56.287 -0.084 0.000 0.931 499 K CB 0.017 32.483 32.500 -0.056 0.000 0.714 499 K HN -0.025 nan 8.250 nan 0.000 0.440 500 V N 1.002 120.904 119.914 -0.019 0.000 2.453 500 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 500 V C 2.194 178.283 176.094 -0.009 0.000 1.048 500 V CA 1.918 64.230 62.300 0.020 0.000 1.049 500 V CB -0.484 31.364 31.823 0.042 0.000 0.672 500 V HN 0.342 nan 8.190 nan 0.000 0.457 501 A N -0.853 121.956 122.820 -0.019 0.000 2.066 501 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 501 A C 1.165 178.759 177.584 0.018 0.000 1.157 501 A CA 0.912 52.953 52.037 0.006 0.000 0.670 501 A CB -0.133 18.913 19.000 0.076 0.000 0.804 501 A HN 0.639 nan 8.150 nan 0.000 0.453 502 E N 0.000 120.202 120.200 0.003 0.000 2.725 502 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 502 E CA 0.000 56.401 56.400 0.002 0.000 0.976 502 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 502 E HN 0.000 nan 8.360 nan 0.000 0.440