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_D 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 0.000 176.293 176.300 -0.012 0.000 2.045 15 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 15 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 16 V N 2.456 122.365 119.914 -0.009 0.000 2.479 16 V HA 0.164 4.284 4.120 0.000 0.000 0.281 16 V C 0.896 176.984 176.094 -0.010 0.000 1.031 16 V CA -0.330 61.966 62.300 -0.008 0.000 1.038 16 V CB 0.147 31.968 31.823 -0.003 0.000 0.981 16 V HN 0.174 nan 8.190 nan 0.000 0.478 17 R N 3.367 123.860 120.500 -0.012 0.000 2.522 17 R HA 0.119 4.459 4.340 0.000 0.000 0.284 17 R C 0.722 177.015 176.300 -0.011 0.000 1.032 17 R CA -0.061 56.032 56.100 -0.013 0.000 1.049 17 R CB 0.512 30.804 30.300 -0.014 0.000 0.956 17 R HN 0.694 nan 8.270 nan 0.000 0.422 18 E N 1.445 121.638 120.200 -0.011 0.000 2.097 18 E HA -0.248 4.102 4.350 0.000 0.000 0.196 18 E C 0.900 177.495 176.600 -0.009 0.000 1.000 18 E CA 1.810 58.204 56.400 -0.010 0.000 0.804 18 E CB -0.010 29.684 29.700 -0.010 0.000 0.740 18 E HN 0.840 nan 8.360 nan 0.000 0.454 19 D N -0.010 120.383 120.400 -0.011 0.000 2.363 19 D HA -0.121 4.519 4.640 0.000 0.000 0.220 19 D C 0.233 176.525 176.300 -0.013 0.000 0.994 19 D CA 0.207 54.200 54.000 -0.011 0.000 0.890 19 D CB -0.277 40.516 40.800 -0.012 0.000 0.906 19 D HN 0.002 nan 8.370 nan 0.000 0.530 20 R N -0.792 119.700 120.500 -0.013 0.000 3.627 20 R HA -0.131 4.209 4.340 0.000 0.000 0.281 20 R C -0.642 175.646 176.300 -0.021 0.000 1.140 20 R CA 0.252 56.343 56.100 -0.015 0.000 0.761 20 R CB -2.270 28.022 30.300 -0.012 0.000 1.181 20 R HN 0.148 nan 8.270 nan 0.000 0.472 21 V N 1.611 121.513 119.914 -0.021 0.000 2.479 21 V HA 0.036 4.156 4.120 0.000 0.000 0.281 21 V C 1.052 177.129 176.094 -0.029 0.000 1.031 21 V CA 0.115 62.401 62.300 -0.025 0.000 1.038 21 V CB 1.414 33.225 31.823 -0.020 0.000 0.981 21 V HN 0.030 nan 8.190 nan 0.000 0.478 22 V N 6.268 126.159 119.914 -0.039 0.000 2.455 22 V HA 0.356 4.476 4.120 0.000 0.000 0.273 22 V C 0.698 176.769 176.094 -0.038 0.000 1.045 22 V CA 0.094 62.367 62.300 -0.045 0.000 0.976 22 V CB 1.088 32.869 31.823 -0.069 0.000 0.993 22 V HN 1.087 nan 8.190 nan 0.000 0.475 23 T N 1.789 116.325 114.554 -0.029 0.000 2.910 23 T HA 0.570 4.920 4.350 0.000 0.000 0.287 23 T C -0.163 174.531 174.700 -0.010 0.000 1.050 23 T CA -0.990 61.101 62.100 -0.016 0.000 1.011 23 T CB 1.870 70.731 68.868 -0.012 0.000 1.195 23 T HN 0.615 nan 8.240 nan 0.000 0.540 24 N N 0.057 118.763 118.700 0.011 0.000 2.431 24 N HA 0.275 5.016 4.740 0.000 0.000 0.289 24 N C 1.196 176.708 175.510 0.004 0.000 1.277 24 N CA -0.539 52.525 53.050 0.023 0.000 0.972 24 N CB -0.509 38.023 38.487 0.075 0.000 1.143 24 N HN 0.500 nan 8.380 nan 0.000 0.578 25 S N -1.492 114.212 115.700 0.006 0.000 2.402 25 S HA -0.137 4.333 4.470 0.000 0.000 0.233 25 S C 1.073 175.669 174.600 -0.007 0.000 1.030 25 S CA 1.748 59.942 58.200 -0.009 0.000 1.003 25 S CB -0.858 62.348 63.200 0.011 0.000 0.813 25 S HN 0.871 nan 8.310 nan 0.000 0.477 26 T N -1.718 112.834 114.554 -0.003 0.000 3.251 26 T HA 0.508 4.858 4.350 0.000 0.000 0.259 26 T C 1.153 175.845 174.700 -0.013 0.000 0.998 26 T CA 0.393 62.485 62.100 -0.013 0.000 0.905 26 T CB 0.200 69.051 68.868 -0.028 0.000 1.067 26 T HN 0.442 nan 8.240 nan 0.000 0.569 27 G N 1.680 110.475 108.800 -0.008 0.000 2.155 27 G HA2 -0.288 3.672 3.960 0.000 0.000 0.257 27 G HA3 -0.288 3.672 3.960 0.000 0.000 0.257 27 G C -0.191 174.708 174.900 -0.003 0.000 0.983 27 G CA -0.096 44.999 45.100 -0.008 0.000 0.676 27 G HN 0.696 nan 8.290 nan 0.000 0.528 28 N N 1.827 120.531 118.700 0.007 0.000 2.458 28 N HA 0.491 5.231 4.740 0.000 0.000 0.270 28 N C -2.651 172.873 175.510 0.024 0.000 1.102 28 N CA -1.328 51.734 53.050 0.020 0.000 0.967 28 N CB 1.152 39.661 38.487 0.038 0.000 1.078 28 N HN 0.105 nan 8.380 nan 0.000 0.471 29 P HA 0.098 nan 4.420 nan 0.000 0.271 29 P C -0.548 176.753 177.300 0.002 0.000 1.216 29 P CA 0.118 63.219 63.100 0.001 0.000 0.771 29 P CB 0.675 32.373 31.700 -0.004 0.000 0.864 30 I N 3.198 123.757 120.570 -0.018 0.000 2.315 30 I HA 0.144 4.314 4.170 0.000 0.000 0.291 30 I C 1.626 177.713 176.117 -0.050 0.000 1.006 30 I CA -0.178 61.101 61.300 -0.035 0.000 1.265 30 I CB 0.573 38.539 38.000 -0.056 0.000 1.387 30 I HN 0.410 nan 8.210 nan 0.000 0.475 31 N N 3.484 122.158 118.700 -0.045 0.000 2.036 31 N HA -0.160 4.580 4.740 0.000 0.000 0.195 31 N C 0.588 176.061 175.510 -0.062 0.000 1.037 31 N CA 1.270 54.293 53.050 -0.046 0.000 0.855 31 N CB 0.236 38.700 38.487 -0.039 0.000 1.033 31 N HN 0.543 nan 8.380 nan 0.000 0.423 32 E N -0.780 119.371 120.200 -0.081 0.000 2.290 32 E HA 0.159 4.509 4.350 0.000 0.000 0.274 32 E C -2.032 174.462 176.600 -0.176 0.000 0.889 32 E CA -1.892 54.446 56.400 -0.103 0.000 0.760 32 E CB 1.932 31.596 29.700 -0.059 0.000 1.206 32 E HN -0.043 nan 8.360 nan 0.000 0.419 33 P HA -0.066 nan 4.420 nan 0.000 0.218 33 P C 0.680 177.589 177.300 -0.651 0.000 1.148 33 P CA 1.149 63.875 63.100 -0.624 0.000 0.822 33 P CB 0.136 31.215 31.700 -1.036 0.000 0.784 34 F N -0.807 119.126 119.950 -0.029 0.000 2.706 34 F HA 0.135 4.662 4.527 0.000 0.000 0.313 34 F C 1.009 176.785 175.800 -0.041 0.000 1.096 34 F CA -1.041 56.939 58.000 -0.034 0.000 1.219 34 F CB -0.699 38.283 39.000 -0.030 0.000 1.051 34 F HN -0.305 nan 8.300 nan 0.000 0.568 35 V N 0.607 120.563 119.914 0.070 0.000 2.655 35 V HA 0.470 4.590 4.120 0.000 0.000 0.300 35 V C 0.263 176.356 176.094 -0.002 0.000 1.044 35 V CA -0.292 62.023 62.300 0.024 0.000 1.095 35 V CB 0.121 31.934 31.823 -0.017 0.000 0.952 35 V HN 0.348 nan 8.190 nan 0.000 0.485 36 T N 2.057 116.604 114.554 -0.012 0.000 2.861 36 T HA 0.528 4.878 4.350 0.000 0.000 0.287 36 T C -0.560 174.110 174.700 -0.049 0.000 1.003 36 T CA -0.760 61.319 62.100 -0.034 0.000 0.977 36 T CB 1.599 70.456 68.868 -0.020 0.000 0.996 36 T HN 0.794 nan 8.240 nan 0.000 0.448 37 Q N 2.038 121.799 119.800 -0.066 0.000 2.314 37 Q HA 0.475 4.815 4.340 0.000 0.000 0.258 37 Q C 0.315 176.286 176.000 -0.049 0.000 0.954 37 Q CA -0.375 55.389 55.803 -0.064 0.000 0.890 37 Q CB 0.876 29.567 28.738 -0.079 0.000 1.210 37 Q HN 0.722 nan 8.270 nan 0.000 0.410 38 R N 0.921 121.393 120.500 -0.048 0.000 2.752 38 R HA 0.491 4.831 4.340 0.000 0.000 0.271 38 R C -1.110 175.168 176.300 -0.037 0.000 1.026 38 R CA -1.029 55.048 56.100 -0.039 0.000 0.901 38 R CB 0.721 30.995 30.300 -0.044 0.000 1.243 38 R HN 0.349 nan 8.270 nan 0.000 0.463 39 I N 1.966 122.520 120.570 -0.025 0.000 2.396 39 I HA 0.266 4.436 4.170 0.000 0.000 0.289 39 I C 1.333 177.433 176.117 -0.028 0.000 1.056 39 I CA 1.447 62.734 61.300 -0.021 0.000 1.365 39 I CB -0.062 37.932 38.000 -0.009 0.000 1.407 39 I HN 1.020 nan 8.210 nan 0.000 0.509 40 G N 7.069 115.849 108.800 -0.035 0.000 2.601 40 G HA2 -0.266 3.695 3.960 0.000 0.000 0.252 40 G HA3 -0.266 3.695 3.960 0.000 0.000 0.252 40 G C 0.591 175.432 174.900 -0.098 0.000 1.294 40 G CA 0.127 45.200 45.100 -0.045 0.000 0.912 40 G HN 0.639 nan 8.290 nan 0.000 0.574 41 E N -0.348 119.759 120.200 -0.155 0.000 2.250 41 E HA 0.050 4.400 4.350 0.000 0.000 0.192 41 E C 0.904 177.117 176.600 -0.645 0.000 0.986 41 E CA 0.722 56.896 56.400 -0.377 0.000 0.849 41 E CB 0.153 29.591 29.700 -0.437 0.000 0.797 41 E HN 0.541 nan 8.360 nan 0.000 0.482 42 H N -0.792 118.273 119.070 -0.008 0.000 2.665 42 H HA 0.264 4.820 4.556 0.000 0.000 0.248 42 H C 0.480 175.803 175.328 -0.008 0.000 1.175 42 H CA -0.002 56.041 56.048 -0.009 0.000 0.952 42 H CB 0.671 30.428 29.762 -0.009 0.000 1.883 42 H HN 0.030 nan 8.280 nan 0.000 0.623 43 G N 1.549 110.371 108.800 0.036 0.000 2.510 43 G HA2 0.349 4.309 3.960 0.000 0.000 0.280 43 G HA3 0.349 4.309 3.960 0.000 0.000 0.280 43 G C -2.264 172.646 174.900 0.015 0.000 1.386 43 G CA -1.143 43.973 45.100 0.026 0.000 1.047 43 G HN -0.026 nan 8.290 nan 0.000 0.527 44 P HA 0.254 nan 4.420 nan 0.000 0.272 44 P C -0.447 176.851 177.300 -0.003 0.000 1.223 44 P CA -0.644 62.459 63.100 0.005 0.000 0.784 44 P CB 0.663 32.366 31.700 0.005 0.000 0.923 45 L N 2.315 123.536 121.223 -0.004 0.000 2.439 45 L HA 0.169 4.509 4.340 0.000 0.000 0.269 45 L C -0.012 176.852 176.870 -0.010 0.000 1.179 45 L CA 0.288 55.122 54.840 -0.010 0.000 0.828 45 L CB -0.263 41.791 42.059 -0.009 0.000 1.106 45 L HN 0.248 nan 8.230 nan 0.000 0.467 46 L N 4.189 125.402 121.223 -0.017 0.000 2.322 46 L HA 0.259 4.599 4.340 0.000 0.000 0.279 46 L C 1.239 178.104 176.870 -0.008 0.000 1.036 46 L CA -0.550 54.282 54.840 -0.013 0.000 0.807 46 L CB 1.272 43.319 42.059 -0.020 0.000 1.226 46 L HN 0.607 nan 8.230 nan 0.000 0.433 47 L N 2.061 123.288 121.223 0.006 0.000 2.191 47 L HA -0.188 4.152 4.340 0.000 0.000 0.212 47 L C 2.367 179.255 176.870 0.031 0.000 1.103 47 L CA 1.398 56.250 54.840 0.020 0.000 0.769 47 L CB -0.069 42.006 42.059 0.026 0.000 0.908 47 L HN 0.864 nan 8.230 nan 0.000 0.438 48 Q N -1.282 118.532 119.800 0.024 0.000 2.515 48 Q HA -0.144 4.196 4.340 0.000 0.000 0.212 48 Q C 0.175 176.150 176.000 -0.042 0.000 0.970 48 Q CA 0.427 56.258 55.803 0.047 0.000 0.941 48 Q CB -0.323 28.439 28.738 0.039 0.000 0.998 48 Q HN 0.205 nan 8.270 nan 0.000 0.518 49 D N 0.941 121.285 120.400 -0.093 0.000 2.483 49 D HA -0.006 4.634 4.640 0.000 0.000 0.220 49 D C 0.195 176.407 176.300 -0.146 0.000 1.173 49 D CA -0.603 53.265 54.000 -0.221 0.000 0.964 49 D CB 0.108 40.823 40.800 -0.141 0.000 1.046 49 D HN 0.373 nan 8.370 nan 0.000 0.517 50 Y N 1.519 121.824 120.300 0.008 0.000 2.439 50 Y HA 0.056 4.606 4.550 0.000 0.000 0.292 50 Y C 1.521 177.429 175.900 0.014 0.000 1.130 50 Y CA 0.257 58.364 58.100 0.012 0.000 1.254 50 Y CB -0.622 37.843 38.460 0.009 0.000 1.000 50 Y HN 0.114 nan 8.280 nan 0.000 0.554 51 N N 0.821 119.480 118.700 -0.068 0.000 2.270 51 N HA -0.104 4.636 4.740 0.000 0.000 0.181 51 N C 1.700 177.219 175.510 0.015 0.000 1.016 51 N CA 1.172 54.237 53.050 0.024 0.000 0.870 51 N CB -0.325 38.121 38.487 -0.068 0.000 0.979 51 N HN 0.424 nan 8.380 nan 0.000 0.431 52 L N 1.008 122.218 121.223 -0.022 0.000 2.027 52 L HA 0.008 4.348 4.340 0.000 0.000 0.206 52 L C 1.783 178.674 176.870 0.036 0.000 1.074 52 L CA 1.249 56.091 54.840 0.003 0.000 0.745 52 L CB -0.451 41.598 42.059 -0.016 0.000 0.898 52 L HN -0.021 nan 8.230 nan 0.000 0.433 53 I N 0.002 120.602 120.570 0.050 0.000 2.286 53 I HA -0.252 3.918 4.170 0.000 0.000 0.248 53 I C 2.297 178.470 176.117 0.094 0.000 1.115 53 I CA 1.536 62.879 61.300 0.071 0.000 1.392 53 I CB -1.534 36.514 38.000 0.080 0.000 1.065 53 I HN 0.402 nan 8.210 nan 0.000 0.418 54 D N 0.402 120.868 120.400 0.109 0.000 2.104 54 D HA -0.199 4.441 4.640 0.000 0.000 0.194 54 D C 2.405 178.781 176.300 0.126 0.000 0.994 54 D CA 1.882 55.953 54.000 0.118 0.000 0.830 54 D CB 0.104 40.976 40.800 0.121 0.000 0.959 54 D HN 0.128 nan 8.370 nan 0.000 0.452 55 S N -1.298 114.465 115.700 0.104 0.000 2.371 55 S HA -0.008 4.462 4.470 0.000 0.000 0.224 55 S C 2.126 176.820 174.600 0.157 0.000 1.029 55 S CA 0.684 58.954 58.200 0.115 0.000 0.978 55 S CB -0.359 62.885 63.200 0.073 0.000 0.833 55 S HN 0.328 nan 8.310 nan 0.000 0.466 56 L N 0.963 122.255 121.223 0.116 0.000 2.093 56 L HA -0.008 4.332 4.340 0.000 0.000 0.208 56 L C 2.893 179.877 176.870 0.191 0.000 1.085 56 L CA 1.166 56.085 54.840 0.132 0.000 0.755 56 L CB -0.649 41.449 42.059 0.066 0.000 0.904 56 L HN 0.399 nan 8.230 nan 0.000 0.435 57 A N -1.261 121.645 122.820 0.143 0.000 1.929 57 A HA -0.235 4.085 4.320 0.000 0.000 0.216 57 A C 2.245 179.887 177.584 0.097 0.000 1.176 57 A CA 1.220 53.322 52.037 0.109 0.000 0.628 57 A CB -0.747 18.303 19.000 0.084 0.000 0.816 57 A HN 0.422 nan 8.150 nan 0.000 0.444 58 H N -1.835 117.286 119.070 0.084 0.000 2.428 58 H HA -0.091 4.465 4.556 0.000 0.000 0.296 58 H C 1.827 177.190 175.328 0.058 0.000 1.062 58 H CA 1.633 57.714 56.048 0.054 0.000 1.350 58 H CB -0.210 29.582 29.762 0.049 0.000 1.403 58 H HN 0.513 nan 8.280 nan 0.000 0.533 59 F N 2.167 122.172 119.950 0.093 0.000 2.134 59 F HA -0.205 4.322 4.527 0.000 0.000 0.299 59 F C 1.913 177.700 175.800 -0.021 0.000 1.097 59 F CA 1.380 59.404 58.000 0.040 0.000 1.264 59 F CB -0.329 38.695 39.000 0.039 0.000 1.001 59 F HN 0.061 nan 8.300 nan 0.000 0.479 60 N N 0.584 119.294 118.700 0.016 0.000 2.443 60 N HA -0.102 4.638 4.740 0.000 0.000 0.184 60 N C 0.963 176.365 175.510 -0.180 0.000 1.037 60 N CA 0.918 53.915 53.050 -0.088 0.000 0.896 60 N CB -0.314 38.191 38.487 0.031 0.000 0.959 60 N HN 0.416 nan 8.380 nan 0.000 0.442 61 R N 0.063 120.423 120.500 -0.234 0.000 2.586 61 R HA 0.214 4.554 4.340 0.000 0.000 0.336 61 R C 0.799 176.909 176.300 -0.318 0.000 1.060 61 R CA -0.086 55.855 56.100 -0.264 0.000 1.079 61 R CB 0.465 30.588 30.300 -0.294 0.000 1.317 61 R HN 0.265 nan 8.270 nan 0.000 0.568 62 E N 0.557 120.556 120.200 -0.336 0.000 2.152 62 E HA -0.039 4.311 4.350 0.000 0.000 0.192 62 E C 0.016 176.441 176.600 -0.292 0.000 0.983 62 E CA 0.662 56.855 56.400 -0.344 0.000 0.818 62 E CB 0.207 29.681 29.700 -0.376 0.000 0.758 62 E HN 0.238 nan 8.360 nan 0.000 0.467 63 N N 1.258 119.847 118.700 -0.185 0.000 2.479 63 N HA 0.236 4.976 4.740 0.000 0.000 0.285 63 N C -0.090 175.426 175.510 0.010 0.000 1.075 63 N CA -0.154 52.867 53.050 -0.049 0.000 0.967 63 N CB 1.328 39.782 38.487 -0.055 0.000 1.137 63 N HN 0.108 nan 8.380 nan 0.000 0.472 64 I N -1.384 119.251 120.570 0.108 0.000 2.750 64 I HA 0.633 4.803 4.170 0.000 0.000 0.308 64 I C -2.117 174.018 176.117 0.030 0.000 1.016 64 I CA -2.244 59.087 61.300 0.052 0.000 1.098 64 I CB 1.375 39.423 38.000 0.081 0.000 1.279 64 I HN 0.213 nan 8.210 nan 0.000 0.454 65 P HA 0.052 nan 4.420 nan 0.000 0.266 65 P C -1.059 176.273 177.300 0.053 0.000 1.195 65 P CA -0.082 63.032 63.100 0.024 0.000 0.768 65 P CB 0.544 32.264 31.700 0.032 0.000 0.838 66 Q N 2.239 122.085 119.800 0.076 0.000 2.417 66 Q HA 0.222 4.562 4.340 0.000 0.000 0.241 66 Q C -0.150 175.904 176.000 0.090 0.000 1.008 66 Q CA -0.606 55.252 55.803 0.091 0.000 0.901 66 Q CB 0.654 29.454 28.738 0.102 0.000 1.259 66 Q HN 0.286 nan 8.270 nan 0.000 0.489 67 R N 1.327 121.884 120.500 0.095 0.000 2.640 67 R HA 0.029 4.369 4.340 0.000 0.000 0.270 67 R C -0.478 175.884 176.300 0.104 0.000 1.024 67 R CA 0.173 56.331 56.100 0.097 0.000 1.085 67 R CB 0.176 30.547 30.300 0.118 0.000 0.963 67 R HN 0.582 nan 8.270 nan 0.000 0.426 68 N N 3.314 122.065 118.700 0.085 0.000 2.573 68 N HA 0.277 5.017 4.740 0.000 0.000 0.262 68 N C -2.314 173.266 175.510 0.116 0.000 1.029 68 N CA -1.617 51.484 53.050 0.084 0.000 0.882 68 N CB 1.023 39.545 38.487 0.059 0.000 1.204 68 N HN 0.361 nan 8.380 nan 0.000 0.519 69 P HA 0.352 nan 4.420 nan 0.000 0.346 69 P C -0.792 176.698 177.300 0.316 0.000 1.306 69 P CA 0.045 63.266 63.100 0.202 0.000 0.778 69 P CB 0.608 32.408 31.700 0.166 0.000 1.710 70 H N -2.147 117.001 119.070 0.130 0.000 2.819 70 H HA -0.125 4.431 4.556 0.000 0.000 0.315 70 H C 1.133 176.539 175.328 0.131 0.000 1.242 70 H CA 0.328 56.461 56.048 0.141 0.000 1.157 70 H CB -1.622 28.221 29.762 0.134 0.000 1.451 70 H HN 0.537 nan 8.280 nan 0.000 0.430 71 A N 0.151 123.094 122.820 0.205 0.000 1.930 71 A HA -0.117 4.203 4.320 0.000 0.000 0.217 71 A C 1.098 178.827 177.584 0.242 0.000 1.175 71 A CA 1.339 53.491 52.037 0.191 0.000 0.627 71 A CB -0.111 18.981 19.000 0.153 0.000 0.815 71 A HN 0.507 nan 8.150 nan 0.000 0.443 72 H N -0.869 118.293 119.070 0.154 0.000 2.517 72 H HA 0.540 5.096 4.556 0.000 0.000 0.317 72 H C 0.192 175.653 175.328 0.223 0.000 1.080 72 H CA 0.366 56.521 56.048 0.179 0.000 1.301 72 H CB 0.676 30.523 29.762 0.142 0.000 1.425 72 H HN 0.392 nan 8.280 nan 0.000 0.471 73 G N 2.026 110.716 108.800 -0.184 0.000 2.559 73 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 73 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 73 G C -1.565 173.406 174.900 0.119 0.000 1.424 73 G CA -0.746 44.330 45.100 -0.039 0.000 0.786 73 G HN 0.627 nan 8.290 nan 0.000 0.485 74 S N -1.752 114.029 115.700 0.134 0.000 2.599 74 S HA 0.925 5.395 4.470 0.000 0.000 0.294 74 S C 0.042 174.720 174.600 0.131 0.000 1.094 74 S CA -0.123 58.243 58.200 0.277 0.000 0.931 74 S CB 1.960 65.359 63.200 0.332 0.000 1.093 74 S HN 1.418 nan 8.310 nan 0.000 0.488 75 G N -0.151 108.744 108.800 0.157 0.000 2.672 75 G HA2 0.833 4.793 3.960 0.000 0.000 0.292 75 G HA3 0.833 4.793 3.960 0.000 0.000 0.292 75 G C -1.690 173.219 174.900 0.015 0.000 1.375 75 G CA -0.578 44.495 45.100 -0.044 0.000 0.890 75 G HN 1.038 nan 8.290 nan 0.000 0.476 76 A N -0.389 122.350 122.820 -0.136 0.000 2.594 76 A HA 0.726 5.046 4.320 0.000 0.000 0.296 76 A C -1.559 175.914 177.584 -0.186 0.000 1.061 76 A CA -0.735 51.275 52.037 -0.044 0.000 0.689 76 A CB 0.747 19.812 19.000 0.107 0.000 1.280 76 A HN 0.625 nan 8.150 nan 0.000 0.406 77 F N 0.818 120.784 119.950 0.025 0.000 2.380 77 F HA 0.765 5.292 4.527 0.000 0.000 0.321 77 F C 1.322 177.132 175.800 0.016 0.000 1.103 77 F CA 1.225 59.239 58.000 0.023 0.000 1.067 77 F CB 2.023 41.038 39.000 0.025 0.000 1.265 77 F HN 1.030 nan 8.300 nan 0.000 0.517 78 G N 0.078 109.036 108.800 0.264 0.000 2.512 78 G HA2 0.453 4.413 3.960 0.000 0.000 0.186 78 G HA3 0.453 4.413 3.960 0.000 0.000 0.186 78 G C -2.088 172.979 174.900 0.280 0.000 1.189 78 G CA -0.412 44.788 45.100 0.168 0.000 0.994 78 G HN 0.729 nan 8.290 nan 0.000 0.506 79 Y N -1.753 118.645 120.300 0.164 0.000 2.638 79 Y HA 0.813 5.363 4.550 0.000 0.000 0.335 79 Y C -1.764 174.310 175.900 0.290 0.000 1.155 79 Y CA -2.055 56.170 58.100 0.208 0.000 1.046 79 Y CB 1.541 40.085 38.460 0.140 0.000 1.303 79 Y HN 0.770 nan 8.280 nan 0.000 0.460 80 F N 1.926 122.096 119.950 0.366 0.000 2.480 80 F HA 0.660 5.187 4.527 0.000 0.000 0.329 80 F C -0.702 175.304 175.800 0.344 0.000 1.091 80 F CA -0.648 57.528 58.000 0.294 0.000 0.972 80 F CB 1.750 40.905 39.000 0.259 0.000 1.150 80 F HN 0.773 nan 8.300 nan 0.000 0.467 81 E N 4.633 124.496 120.200 -0.562 0.000 2.234 81 E HA 0.480 4.830 4.350 0.000 0.000 0.266 81 E C -1.649 174.496 176.600 -0.758 0.000 0.877 81 E CA -0.943 55.233 56.400 -0.372 0.000 0.758 81 E CB 2.100 31.799 29.700 -0.002 0.000 1.170 81 E HN 0.534 nan 8.360 nan 0.000 0.415 82 V N 3.837 123.531 119.914 -0.367 0.000 2.508 82 V HA 0.074 4.194 4.120 0.000 0.000 0.281 82 V C 1.234 177.281 176.094 -0.079 0.000 1.041 82 V CA 0.635 62.855 62.300 -0.133 0.000 1.016 82 V CB 0.902 32.794 31.823 0.116 0.000 0.984 82 V HN 0.950 nan 8.190 nan 0.000 0.478 83 T N -0.193 114.329 114.554 -0.052 0.000 2.969 83 T HA 0.249 4.599 4.350 0.000 0.000 0.250 83 T C 0.122 174.828 174.700 0.010 0.000 1.021 83 T CA -0.106 61.981 62.100 -0.022 0.000 1.003 83 T CB 0.191 69.040 68.868 -0.032 0.000 1.040 83 T HN 0.630 nan 8.240 nan 0.000 0.492 84 D N 0.873 121.290 120.400 0.028 0.000 2.601 84 D HA 0.362 5.002 4.640 0.000 0.000 0.230 84 D C -1.539 174.789 176.300 0.046 0.000 1.106 84 D CA -0.683 53.337 54.000 0.034 0.000 0.873 84 D CB 1.562 42.379 40.800 0.028 0.000 1.515 84 D HN 0.057 nan 8.370 nan 0.000 0.468 85 D N 1.575 121.997 120.400 0.037 0.000 2.325 85 D HA 0.172 4.812 4.640 0.000 0.000 0.251 85 D C 0.030 176.341 176.300 0.018 0.000 1.196 85 D CA -0.155 53.866 54.000 0.036 0.000 0.866 85 D CB 0.760 41.579 40.800 0.031 0.000 1.101 85 D HN 0.520 nan 8.370 nan 0.000 0.476 86 I N 1.035 121.606 120.570 0.002 0.000 3.658 86 I HA 0.134 4.304 4.170 0.000 0.000 0.328 86 I C 1.481 177.590 176.117 -0.014 0.000 1.567 86 I CA -0.567 60.716 61.300 -0.028 0.000 1.078 86 I CB 0.475 38.418 38.000 -0.096 0.000 1.267 86 I HN 0.118 nan 8.210 nan 0.000 0.495 87 T N -2.075 112.488 114.554 0.015 0.000 2.962 87 T HA -0.163 4.187 4.350 0.000 0.000 0.270 87 T C 1.474 176.183 174.700 0.015 0.000 1.088 87 T CA 1.407 63.519 62.100 0.019 0.000 1.127 87 T CB -0.534 68.345 68.868 0.019 0.000 0.883 87 T HN 0.654 nan 8.240 nan 0.000 0.493 88 D N 1.359 121.772 120.400 0.021 0.000 2.219 88 D HA -0.101 4.539 4.640 0.000 0.000 0.205 88 D C 1.869 178.204 176.300 0.059 0.000 0.970 88 D CA 0.600 54.621 54.000 0.035 0.000 0.851 88 D CB -0.150 40.665 40.800 0.024 0.000 0.943 88 D HN 0.381 nan 8.370 nan 0.000 0.488 89 I N 0.298 120.898 120.570 0.049 0.000 2.556 89 I HA 0.056 4.226 4.170 0.000 0.000 0.251 89 I C 1.056 177.312 176.117 0.231 0.000 1.105 89 I CA 0.181 61.541 61.300 0.100 0.000 1.436 89 I CB -0.388 37.644 38.000 0.053 0.000 1.139 89 I HN 0.165 nan 8.210 nan 0.000 0.438 90 C N 0.882 120.279 119.300 0.163 0.000 2.481 90 C HA 0.684 5.144 4.460 0.000 0.000 0.324 90 C C 1.334 176.335 174.990 0.018 0.000 1.170 90 C CA -0.510 58.607 59.018 0.164 0.000 1.361 90 C CB 0.646 28.494 27.740 0.180 0.000 1.977 90 C HN 0.598 nan 8.230 nan 0.000 0.459 91 G N 3.396 112.061 108.800 -0.225 0.000 3.088 91 G HA2 0.156 4.116 3.960 0.000 0.000 0.212 91 G HA3 0.156 4.116 3.960 0.000 0.000 0.212 91 G C 0.551 175.216 174.900 -0.392 0.000 1.173 91 G CA 0.180 44.906 45.100 -0.623 0.000 0.779 91 G HN 0.760 nan 8.290 nan 0.000 0.540 92 S N 0.376 116.080 115.700 0.007 0.000 2.549 92 S HA 0.334 4.804 4.470 0.000 0.000 0.286 92 S C 1.756 176.329 174.600 -0.046 0.000 1.314 92 S CA 0.072 58.305 58.200 0.055 0.000 1.062 92 S CB 1.537 64.669 63.200 -0.113 0.000 0.865 92 S HN 0.437 nan 8.310 nan 0.000 0.498 93 A N 3.710 126.499 122.820 -0.052 0.000 2.024 93 A HA -0.189 4.131 4.320 0.000 0.000 0.220 93 A C 1.992 179.500 177.584 -0.126 0.000 1.164 93 A CA 1.840 53.838 52.037 -0.064 0.000 0.643 93 A CB -0.821 18.149 19.000 -0.050 0.000 0.806 93 A HN 0.952 nan 8.150 nan 0.000 0.451 94 M N -3.575 115.843 119.600 -0.303 0.000 2.557 94 M HA 0.156 4.636 4.480 0.000 0.000 0.259 94 M C 0.476 176.601 176.300 -0.291 0.000 1.086 94 M CA 1.413 56.482 55.300 -0.385 0.000 1.096 94 M CB -0.258 31.915 32.600 -0.712 0.000 1.424 94 M HN 0.149 nan 8.290 nan 0.000 0.488 95 F N 0.782 120.715 119.950 -0.029 0.000 2.653 95 F HA 0.296 4.823 4.527 0.000 0.000 0.304 95 F C 2.364 178.174 175.800 0.017 0.000 1.092 95 F CA -0.166 57.852 58.000 0.030 0.000 1.279 95 F CB -0.482 38.519 39.000 0.002 0.000 1.044 95 F HN 0.317 nan 8.300 nan 0.000 0.564 96 S N -0.082 115.697 115.700 0.132 0.000 2.348 96 S HA -0.076 4.394 4.470 0.000 0.000 0.221 96 S C 0.867 175.510 174.600 0.072 0.000 1.033 96 S CA 0.751 58.998 58.200 0.078 0.000 1.010 96 S CB -0.254 62.965 63.200 0.032 0.000 0.891 96 S HN 0.239 nan 8.310 nan 0.000 0.442 97 K N 0.414 120.854 120.400 0.067 0.000 2.208 97 K HA 0.570 4.890 4.320 0.000 0.000 0.247 97 K C -0.878 175.758 176.600 0.060 0.000 0.953 97 K CA -0.675 55.643 56.287 0.052 0.000 0.837 97 K CB 1.736 34.256 32.500 0.032 0.000 1.131 97 K HN 0.193 nan 8.250 nan 0.000 0.431 98 I N 1.436 122.033 120.570 0.045 0.000 2.496 98 I HA 0.059 4.229 4.170 0.000 0.000 0.285 98 I C 1.189 177.318 176.117 0.019 0.000 1.080 98 I CA 0.859 62.180 61.300 0.036 0.000 1.404 98 I CB 0.786 38.803 38.000 0.029 0.000 1.403 98 I HN 1.041 nan 8.210 nan 0.000 0.539 99 G N 4.604 113.408 108.800 0.006 0.000 2.175 99 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 99 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 99 G C 0.406 175.301 174.900 -0.009 0.000 0.982 99 G CA -0.278 44.818 45.100 -0.006 0.000 0.641 99 G HN 0.612 nan 8.290 nan 0.000 0.527 100 K N 1.064 121.470 120.400 0.010 0.000 2.416 100 K HA 0.415 4.735 4.320 0.000 0.000 0.283 100 K C 0.410 177.029 176.600 0.032 0.000 1.037 100 K CA -0.219 56.081 56.287 0.021 0.000 0.995 100 K CB 0.201 32.728 32.500 0.045 0.000 0.938 100 K HN 0.336 nan 8.250 nan 0.000 0.475 101 R N 2.273 122.791 120.500 0.030 0.000 2.460 101 R HA 0.294 4.634 4.340 0.000 0.000 0.303 101 R C -0.859 175.523 176.300 0.137 0.000 0.968 101 R CA -0.608 55.539 56.100 0.078 0.000 0.889 101 R CB 2.103 32.378 30.300 -0.042 0.000 1.123 101 R HN 0.509 nan 8.270 nan 0.000 0.455 102 T N 2.622 117.332 114.554 0.260 0.000 2.840 102 T HA 0.154 4.504 4.350 0.000 0.000 0.287 102 T C -0.633 174.291 174.700 0.374 0.000 0.991 102 T CA -0.780 61.478 62.100 0.264 0.000 0.964 102 T CB 1.469 70.463 68.868 0.209 0.000 0.954 102 T HN 0.279 nan 8.240 nan 0.000 0.438 103 K N 2.738 123.352 120.400 0.357 0.000 2.489 103 K HA 0.293 4.613 4.320 0.000 0.000 0.278 103 K C -0.081 176.821 176.600 0.503 0.000 1.000 103 K CA -0.254 56.285 56.287 0.420 0.000 1.012 103 K CB -0.399 32.336 32.500 0.392 0.000 0.903 103 K HN 0.812 nan 8.250 nan 0.000 0.485 104 C N 3.315 122.847 119.300 0.386 0.000 3.080 104 C HA 0.859 5.319 4.460 0.000 0.000 0.307 104 C C -1.416 173.670 174.990 0.160 0.000 1.311 104 C CA -1.454 57.648 59.018 0.141 0.000 1.533 104 C CB 0.685 28.296 27.740 -0.215 0.000 1.970 104 C HN 0.794 nan 8.230 nan 0.000 0.467 105 L N 1.648 122.815 121.223 -0.094 0.000 2.406 105 L HA 0.742 5.082 4.340 0.000 0.000 0.272 105 L C -0.279 176.406 176.870 -0.309 0.000 0.980 105 L CA 0.192 54.871 54.840 -0.268 0.000 0.831 105 L CB 1.897 43.765 42.059 -0.319 0.000 1.253 105 L HN 1.001 nan 8.230 nan 0.000 0.406 106 T N 5.011 119.314 114.554 -0.418 0.000 2.797 106 T HA 0.534 4.884 4.350 0.000 0.000 0.279 106 T C -0.506 173.783 174.700 -0.686 0.000 0.991 106 T CA -0.443 61.283 62.100 -0.623 0.000 0.979 106 T CB 1.278 69.659 68.868 -0.811 0.000 0.943 106 T HN 0.531 nan 8.240 nan 0.000 0.444 107 R N 2.509 122.540 120.500 -0.782 0.000 2.393 107 R HA 0.523 4.863 4.340 0.000 0.000 0.315 107 R C -1.231 174.600 176.300 -0.782 0.000 0.952 107 R CA -0.560 55.171 56.100 -0.614 0.000 0.842 107 R CB 0.610 30.704 30.300 -0.343 0.000 1.163 107 R HN 0.438 nan 8.270 nan 0.000 0.450 108 F N 1.350 120.973 119.950 -0.545 0.000 2.378 108 F HA 0.494 5.021 4.527 0.000 0.000 0.325 108 F C 0.679 176.193 175.800 -0.477 0.000 1.097 108 F CA -0.012 57.548 58.000 -0.732 0.000 1.079 108 F CB 1.907 39.995 39.000 -1.520 0.000 1.240 108 F HN 0.558 nan 8.300 nan 0.000 0.519 109 S N -1.305 114.381 115.700 -0.023 0.000 2.615 109 S HA 0.617 5.087 4.470 0.000 0.000 0.268 109 S C -0.726 174.046 174.600 0.287 0.000 1.146 109 S CA -0.831 57.470 58.200 0.169 0.000 0.818 109 S CB 1.133 64.468 63.200 0.225 0.000 1.111 109 S HN 0.744 nan 8.310 nan 0.000 0.465 110 T N -1.302 113.407 114.554 0.259 0.000 2.888 110 T HA 0.749 5.099 4.350 0.000 0.000 0.283 110 T C 0.846 175.513 174.700 -0.054 0.000 1.013 110 T CA -0.147 62.059 62.100 0.178 0.000 0.938 110 T CB 0.584 69.584 68.868 0.220 0.000 1.298 110 T HN 0.693 nan 8.240 nan 0.000 0.580 111 V N -0.224 119.618 119.914 -0.121 0.000 2.870 111 V HA 0.318 4.438 4.120 0.000 0.000 0.232 111 V C 2.697 178.724 176.094 -0.113 0.000 1.161 111 V CA 0.996 63.112 62.300 -0.307 0.000 1.204 111 V CB -0.988 30.732 31.823 -0.173 0.000 1.003 111 V HN 1.029 nan 8.190 nan 0.000 0.499 112 G N 0.242 109.001 108.800 -0.067 0.000 2.430 112 G HA2 0.117 4.077 3.960 0.000 0.000 0.216 112 G HA3 0.117 4.077 3.960 0.000 0.000 0.216 112 G C 0.891 175.771 174.900 -0.033 0.000 1.146 112 G CA 0.715 45.767 45.100 -0.079 0.000 0.793 112 G HN 0.610 nan 8.290 nan 0.000 0.537 113 G N 0.271 109.073 108.800 0.003 0.000 2.483 113 G HA2 0.395 4.355 3.960 0.000 0.000 0.248 113 G HA3 0.395 4.355 3.960 0.000 0.000 0.248 113 G C -0.468 174.456 174.900 0.039 0.000 1.248 113 G CA -0.391 44.716 45.100 0.011 0.000 0.838 113 G HN 0.111 nan 8.290 nan 0.000 0.566 114 D N 0.072 120.484 120.400 0.020 0.000 2.384 114 D HA 0.029 4.669 4.640 0.000 0.000 0.244 114 D C 1.525 177.872 176.300 0.079 0.000 1.251 114 D CA -0.322 53.705 54.000 0.045 0.000 0.961 114 D CB 0.862 41.674 40.800 0.020 0.000 1.116 114 D HN 0.432 nan 8.370 nan 0.000 0.484 115 K N 0.292 120.761 120.400 0.116 0.000 2.173 115 K HA -0.136 4.184 4.320 0.000 0.000 0.207 115 K C 1.409 178.107 176.600 0.164 0.000 1.046 115 K CA 1.706 58.106 56.287 0.189 0.000 0.929 115 K CB -0.391 32.205 32.500 0.161 0.000 0.720 115 K HN 0.448 nan 8.250 nan 0.000 0.453 116 G N -0.000 108.818 108.800 0.030 0.000 3.434 116 G HA2 0.096 4.056 3.960 0.000 0.000 0.258 116 G HA3 0.096 4.056 3.960 0.000 0.000 0.258 116 G C -0.274 174.515 174.900 -0.185 0.000 1.128 116 G CA 0.062 45.138 45.100 -0.041 0.000 0.792 116 G HN 0.387 nan 8.290 nan 0.000 0.539 117 S N -0.141 115.375 115.700 -0.307 0.000 2.645 117 S HA 0.714 5.184 4.470 0.000 0.000 0.266 117 S C 0.593 174.913 174.600 -0.466 0.000 1.258 117 S CA -0.115 57.909 58.200 -0.293 0.000 0.990 117 S CB 1.699 64.797 63.200 -0.170 0.000 0.967 117 S HN 0.594 nan 8.310 nan 0.000 0.556 118 A N 0.660 123.358 122.820 -0.203 0.000 2.386 118 A HA 0.295 4.615 4.320 0.000 0.000 0.248 118 A C 0.798 178.385 177.584 0.005 0.000 1.082 118 A CA -0.432 51.548 52.037 -0.096 0.000 0.789 118 A CB -0.232 18.747 19.000 -0.034 0.000 1.025 118 A HN 0.896 nan 8.150 nan 0.000 0.490 119 D N 0.311 120.785 120.400 0.122 0.000 2.149 119 D HA -0.052 4.588 4.640 0.000 0.000 0.201 119 D C 1.266 177.630 176.300 0.107 0.000 0.972 119 D CA 2.120 56.235 54.000 0.192 0.000 0.835 119 D CB -0.116 40.794 40.800 0.184 0.000 0.966 119 D HN 0.675 nan 8.370 nan 0.000 0.476 120 T N -0.262 114.333 114.554 0.067 0.000 3.540 120 T HA 0.424 4.774 4.350 0.000 0.000 0.269 120 T C 0.345 175.059 174.700 0.023 0.000 1.481 120 T CA -0.684 61.435 62.100 0.033 0.000 1.224 120 T CB -0.490 68.367 68.868 -0.018 0.000 1.192 120 T HN -0.100 nan 8.240 nan 0.000 0.756 121 V N -0.848 119.091 119.914 0.042 0.000 3.096 121 V HA 0.694 4.814 4.120 0.000 0.000 0.319 121 V C 0.198 176.315 176.094 0.038 0.000 1.103 121 V CA -1.938 60.382 62.300 0.033 0.000 1.016 121 V CB 1.580 33.422 31.823 0.032 0.000 1.090 121 V HN 0.607 nan 8.190 nan 0.000 0.449 122 R N 1.289 121.801 120.500 0.020 0.000 2.267 122 R HA 0.564 4.904 4.340 0.000 0.000 0.319 122 R C -1.148 175.158 176.300 0.009 0.000 1.067 122 R CA 0.188 56.281 56.100 -0.011 0.000 0.936 122 R CB 0.118 30.369 30.300 -0.082 0.000 1.006 122 R HN 1.000 nan 8.270 nan 0.000 0.452 123 D N 3.667 124.094 120.400 0.045 0.000 2.742 123 D HA 0.265 4.905 4.640 0.000 0.000 0.262 123 D C -2.861 173.531 176.300 0.152 0.000 1.240 123 D CA -1.372 52.689 54.000 0.101 0.000 0.752 123 D CB 2.089 42.950 40.800 0.101 0.000 1.290 123 D HN 0.272 nan 8.370 nan 0.000 0.420 124 P HA 0.279 nan 4.420 nan 0.000 0.269 124 P C -0.589 176.867 177.300 0.259 0.000 1.215 124 P CA -0.340 62.919 63.100 0.266 0.000 0.780 124 P CB 0.542 32.474 31.700 0.388 0.000 0.898 125 R N 1.220 121.904 120.500 0.307 0.000 2.514 125 R HA 0.554 4.894 4.340 0.000 0.000 0.301 125 R C 0.473 177.006 176.300 0.389 0.000 0.962 125 R CA -0.662 55.648 56.100 0.350 0.000 0.882 125 R CB 1.350 31.894 30.300 0.406 0.000 1.143 125 R HN 0.604 nan 8.270 nan 0.000 0.452 126 G N 1.091 110.133 108.800 0.403 0.000 2.503 126 G HA2 0.379 4.339 3.960 0.000 0.000 0.257 126 G HA3 0.379 4.339 3.960 0.000 0.000 0.257 126 G C -1.090 173.936 174.900 0.211 0.000 1.214 126 G CA -0.028 45.276 45.100 0.340 0.000 0.839 126 G HN 0.398 nan 8.290 nan 0.000 0.559 127 F N 1.769 121.681 119.950 -0.064 0.000 3.050 127 F HA 0.593 5.120 4.527 0.000 0.000 0.382 127 F C -0.065 175.485 175.800 -0.416 0.000 1.246 127 F CA -1.699 56.157 58.000 -0.239 0.000 1.217 127 F CB 0.831 39.818 39.000 -0.022 0.000 1.795 127 F HN 0.649 nan 8.300 nan 0.000 0.622 128 A N 2.962 125.525 122.820 -0.428 0.000 2.271 128 A HA 0.777 5.097 4.320 0.000 0.000 0.317 128 A C -0.379 176.681 177.584 -0.874 0.000 1.245 128 A CA -0.328 51.265 52.037 -0.740 0.000 0.857 128 A CB 0.635 18.886 19.000 -1.249 0.000 1.175 128 A HN 0.464 nan 8.150 nan 0.000 0.512 129 T N 2.042 116.239 114.554 -0.595 0.000 2.856 129 T HA 0.475 4.825 4.350 0.000 0.000 0.283 129 T C -0.348 174.018 174.700 -0.556 0.000 1.008 129 T CA -0.559 61.171 62.100 -0.617 0.000 0.997 129 T CB 1.386 69.779 68.868 -0.791 0.000 0.992 129 T HN 0.622 nan 8.240 nan 0.000 0.454 130 K N 2.849 122.964 120.400 -0.475 0.000 2.367 130 K HA 0.483 4.803 4.320 0.000 0.000 0.263 130 K C -1.439 174.655 176.600 -0.845 0.000 1.000 130 K CA -0.625 55.343 56.287 -0.532 0.000 0.891 130 K CB 0.413 32.624 32.500 -0.481 0.000 1.117 130 K HN 0.410 nan 8.250 nan 0.000 0.443 131 F N 3.933 123.564 119.950 -0.531 0.000 2.405 131 F HA 0.270 4.797 4.527 0.000 0.000 0.355 131 F C -0.374 175.150 175.800 -0.460 0.000 1.121 131 F CA -0.688 57.036 58.000 -0.460 0.000 1.112 131 F CB 0.725 39.395 39.000 -0.550 0.000 1.126 131 F HN 0.408 nan 8.300 nan 0.000 0.481 132 Y N 1.675 121.986 120.300 0.019 0.000 2.714 132 Y HA 0.259 4.809 4.550 0.000 0.000 0.333 132 Y C 0.967 176.759 175.900 -0.180 0.000 1.220 132 Y CA -0.894 57.143 58.100 -0.106 0.000 1.513 132 Y CB -0.189 38.208 38.460 -0.106 0.000 1.435 132 Y HN 0.579 nan 8.280 nan 0.000 0.489 133 T N -2.542 111.965 114.554 -0.078 0.000 2.881 133 T HA 0.203 4.553 4.350 0.000 0.000 0.278 133 T C 1.000 175.625 174.700 -0.125 0.000 0.982 133 T CA -0.718 61.310 62.100 -0.121 0.000 0.989 133 T CB 1.124 69.878 68.868 -0.190 0.000 1.058 133 T HN 0.612 nan 8.240 nan 0.000 0.529 134 E N 0.058 120.192 120.200 -0.108 0.000 2.333 134 E HA -0.069 4.281 4.350 0.000 0.000 0.198 134 E C 0.985 177.547 176.600 -0.064 0.000 1.007 134 E CA 0.911 57.261 56.400 -0.085 0.000 0.845 134 E CB 0.014 29.677 29.700 -0.060 0.000 0.766 134 E HN 0.746 nan 8.360 nan 0.000 0.507 135 E N 0.358 120.516 120.200 -0.070 0.000 2.609 135 E HA 0.277 4.627 4.350 0.000 0.000 0.208 135 E C 0.191 176.760 176.600 -0.052 0.000 1.013 135 E CA -0.137 56.233 56.400 -0.049 0.000 1.093 135 E CB 0.878 30.552 29.700 -0.043 0.000 1.129 135 E HN 0.227 nan 8.360 nan 0.000 0.450 136 G N 1.397 110.164 108.800 -0.055 0.000 2.710 136 G HA2 -0.212 3.748 3.960 0.000 0.000 0.668 136 G HA3 -0.212 3.748 3.960 0.000 0.000 0.668 136 G C -0.631 174.222 174.900 -0.077 0.000 1.320 136 G CA -1.037 44.037 45.100 -0.043 0.000 0.860 136 G HN 0.172 nan 8.290 nan 0.000 0.538 137 N N -0.591 118.063 118.700 -0.077 0.000 2.467 137 N HA 0.599 5.339 4.740 0.000 0.000 0.262 137 N C -0.034 175.399 175.510 -0.129 0.000 1.234 137 N CA -0.253 52.712 53.050 -0.141 0.000 0.952 137 N CB 1.241 39.621 38.487 -0.178 0.000 1.158 137 N HN 0.660 nan 8.380 nan 0.000 0.463 138 L N 1.019 122.150 121.223 -0.154 0.000 2.409 138 L HA 0.379 4.719 4.340 0.000 0.000 0.272 138 L C -1.462 175.357 176.870 -0.084 0.000 0.980 138 L CA -0.645 54.128 54.840 -0.111 0.000 0.826 138 L CB 1.648 43.576 42.059 -0.217 0.000 1.268 138 L HN 0.362 nan 8.230 nan 0.000 0.407 139 D N 4.323 124.717 120.400 -0.010 0.000 2.344 139 D HA 0.251 4.891 4.640 0.000 0.000 0.239 139 D C -1.008 175.367 176.300 0.126 0.000 1.064 139 D CA 0.008 54.020 54.000 0.019 0.000 0.829 139 D CB 1.410 42.257 40.800 0.078 0.000 1.129 139 D HN 0.298 nan 8.370 nan 0.000 0.506 140 W N 2.773 123.920 121.300 -0.254 0.000 2.228 140 W HA 0.246 4.906 4.660 0.000 0.000 0.364 140 W C -0.259 175.856 176.519 -0.674 0.000 0.917 140 W CA -0.883 56.103 57.345 -0.599 0.000 1.513 140 W CB 0.371 29.292 29.460 -0.899 0.000 1.494 140 W HN 0.029 nan 8.180 nan 0.000 0.346 141 V N 6.320 126.173 119.914 -0.101 0.000 2.276 141 V HA 0.068 4.188 4.120 0.000 0.000 0.249 141 V C -0.143 176.047 176.094 0.161 0.000 1.160 141 V CA -0.398 61.845 62.300 -0.095 0.000 1.042 141 V CB -1.086 30.632 31.823 -0.174 0.000 1.224 141 V HN 0.097 nan 8.190 nan 0.000 0.496 142 Y N 1.757 122.004 120.300 -0.089 0.000 2.534 142 Y HA 0.594 5.144 4.550 0.000 0.000 0.329 142 Y C 0.569 176.471 175.900 0.003 0.000 1.154 142 Y CA -2.095 55.959 58.100 -0.077 0.000 1.192 142 Y CB 1.367 39.738 38.460 -0.149 0.000 1.275 142 Y HN 0.395 nan 8.280 nan 0.000 0.491 143 N N -0.076 118.748 118.700 0.205 0.000 2.592 143 N HA 0.155 4.895 4.740 0.000 0.000 0.292 143 N C 0.157 175.870 175.510 0.338 0.000 1.260 143 N CA -0.617 52.592 53.050 0.265 0.000 0.910 143 N CB 0.592 39.214 38.487 0.224 0.000 1.257 143 N HN 0.712 nan 8.380 nan 0.000 0.569 144 N N -1.972 116.965 118.700 0.394 0.000 2.313 144 N HA 0.004 4.744 4.740 0.000 0.000 0.207 144 N C -0.426 175.380 175.510 0.494 0.000 1.141 144 N CA -0.144 53.190 53.050 0.473 0.000 0.830 144 N CB 0.429 39.183 38.487 0.444 0.000 1.008 144 N HN 0.226 nan 8.380 nan 0.000 0.481 145 T N -0.386 114.356 114.554 0.312 0.000 2.900 145 T HA 0.353 4.704 4.350 0.000 0.000 0.295 145 T C -2.170 172.279 174.700 -0.417 0.000 1.044 145 T CA -2.126 59.947 62.100 -0.045 0.000 0.995 145 T CB 1.784 70.625 68.868 -0.044 0.000 1.072 145 T HN -0.208 nan 8.240 nan 0.000 0.473 146 P HA 0.034 nan 4.420 nan 0.000 0.218 146 P C 0.538 177.519 177.300 -0.531 0.000 1.149 146 P CA 0.671 63.232 63.100 -0.899 0.000 0.817 146 P CB -0.005 31.188 31.700 -0.846 0.000 0.785 147 V N -5.967 113.662 119.914 -0.476 0.000 3.285 147 V HA 0.699 4.819 4.120 0.000 0.000 0.302 147 V C -0.531 175.445 176.094 -0.197 0.000 1.247 147 V CA -0.954 61.120 62.300 -0.377 0.000 1.035 147 V CB 1.284 32.797 31.823 -0.516 0.000 1.223 147 V HN -0.141 nan 8.190 nan 0.000 0.475 148 F N -1.928 117.787 119.950 -0.390 0.000 2.711 148 F HA 0.637 5.164 4.527 0.000 0.000 0.313 148 F C 0.229 175.815 175.800 -0.357 0.000 1.141 148 F CA -1.535 56.258 58.000 -0.344 0.000 0.941 148 F CB 1.524 40.441 39.000 -0.139 0.000 1.349 148 F HN 0.403 nan 8.300 nan 0.000 0.464 149 F N 2.247 121.613 119.950 -0.973 0.000 2.293 149 F HA 0.065 4.592 4.527 0.000 0.000 0.300 149 F C 0.839 176.324 175.800 -0.525 0.000 1.086 149 F CA 1.135 58.623 58.000 -0.854 0.000 1.375 149 F CB -0.389 37.708 39.000 -1.504 0.000 1.045 149 F HN 0.185 nan 8.300 nan 0.000 0.516 150 I N -1.909 118.589 120.570 -0.121 0.000 2.934 150 I HA 0.505 4.675 4.170 0.000 0.000 0.306 150 I C 0.533 176.699 176.117 0.081 0.000 1.110 150 I CA -1.086 60.224 61.300 0.017 0.000 1.019 150 I CB 2.409 40.487 38.000 0.130 0.000 1.227 150 I HN -0.021 nan 8.210 nan 0.000 0.434 151 R N 0.575 121.095 120.500 0.034 0.000 2.535 151 R HA 0.429 4.769 4.340 0.000 0.000 0.323 151 R C -1.080 175.360 176.300 0.234 0.000 0.979 151 R CA -0.413 55.720 56.100 0.056 0.000 1.120 151 R CB 0.291 30.423 30.300 -0.280 0.000 1.306 151 R HN 0.580 nan 8.270 nan 0.000 0.540 152 D N 2.758 123.285 120.400 0.212 0.000 2.425 152 D HA 0.176 4.816 4.640 0.000 0.000 0.240 152 D C -1.853 174.565 176.300 0.195 0.000 1.080 152 D CA -1.733 52.403 54.000 0.227 0.000 0.836 152 D CB 2.571 43.476 40.800 0.175 0.000 1.125 152 D HN -0.070 nan 8.370 nan 0.000 0.525 153 P HA -0.149 nan 4.420 nan 0.000 0.218 153 P C 1.277 178.688 177.300 0.184 0.000 1.149 153 P CA 0.845 64.042 63.100 0.163 0.000 0.817 153 P CB 0.308 32.070 31.700 0.105 0.000 0.785 154 S N -0.290 115.491 115.700 0.134 0.000 2.474 154 S HA -0.086 4.385 4.470 0.000 0.000 0.235 154 S C 1.968 176.667 174.600 0.165 0.000 0.997 154 S CA 0.928 59.201 58.200 0.122 0.000 0.949 154 S CB -0.736 62.489 63.200 0.041 0.000 0.766 154 S HN 0.063 nan 8.310 nan 0.000 0.517 155 K N 0.173 120.675 120.400 0.171 0.000 2.418 155 K HA 0.281 4.601 4.320 0.000 0.000 0.195 155 K C 1.348 178.125 176.600 0.295 0.000 1.035 155 K CA 0.231 56.643 56.287 0.207 0.000 1.003 155 K CB -0.367 32.266 32.500 0.223 0.000 0.793 155 K HN 0.399 nan 8.250 nan 0.000 0.494 156 F N 1.593 121.639 119.950 0.160 0.000 2.113 156 F HA -0.018 4.509 4.527 0.000 0.000 0.297 156 F C -1.274 174.531 175.800 0.008 0.000 1.103 156 F CA 0.632 58.724 58.000 0.155 0.000 1.248 156 F CB -0.714 38.388 39.000 0.170 0.000 0.999 156 F HN 0.039 nan 8.300 nan 0.000 0.475 157 P HA -0.196 nan 4.420 nan 0.000 0.216 157 P C 1.476 178.294 177.300 -0.804 0.000 1.153 157 P CA 1.983 64.797 63.100 -0.476 0.000 0.858 157 P CB -0.283 31.249 31.700 -0.281 0.000 0.789 158 H N -2.394 116.415 119.070 -0.435 0.000 2.321 158 H HA -0.131 4.425 4.556 0.000 0.000 0.300 158 H C 2.034 176.933 175.328 -0.715 0.000 1.087 158 H CA 1.350 57.167 56.048 -0.385 0.000 1.319 158 H CB -0.856 28.856 29.762 -0.082 0.000 1.379 158 H HN 0.130 nan 8.280 nan 0.000 0.501 159 F N 1.910 121.322 119.950 -0.897 0.000 2.075 159 F HA -0.190 4.338 4.527 0.000 0.000 0.297 159 F C 2.328 177.603 175.800 -0.875 0.000 1.113 159 F CA 0.919 58.167 58.000 -1.253 0.000 1.218 159 F CB -0.496 37.957 39.000 -0.912 0.000 0.984 159 F HN -0.051 nan 8.300 nan 0.000 0.472 160 I N 0.345 120.225 120.570 -1.150 0.000 2.361 160 I HA -0.296 3.874 4.170 0.000 0.000 0.251 160 I C 2.449 178.194 176.117 -0.619 0.000 1.133 160 I CA 1.585 62.288 61.300 -0.996 0.000 1.413 160 I CB -1.770 35.721 38.000 -0.850 0.000 1.073 160 I HN 0.355 nan 8.210 nan 0.000 0.424 161 H N 0.394 119.133 119.070 -0.553 0.000 2.353 161 H HA -0.140 4.416 4.556 0.000 0.000 0.300 161 H C 2.198 177.301 175.328 -0.375 0.000 1.090 161 H CA 1.811 57.628 56.048 -0.384 0.000 1.327 161 H CB 0.102 29.679 29.762 -0.308 0.000 1.383 161 H HN 0.425 nan 8.280 nan 0.000 0.508 162 T N -1.155 113.174 114.554 -0.376 0.000 3.035 162 T HA -0.076 4.274 4.350 0.000 0.000 0.268 162 T C 1.735 176.220 174.700 -0.359 0.000 1.109 162 T CA 0.477 62.382 62.100 -0.324 0.000 1.119 162 T CB 0.146 68.802 68.868 -0.353 0.000 0.900 162 T HN 0.217 nan 8.240 nan 0.000 0.503 163 Q N 0.720 120.171 119.800 -0.580 0.000 2.389 163 Q HA 0.241 4.582 4.340 0.000 0.000 0.204 163 Q C 1.349 177.224 176.000 -0.208 0.000 0.944 163 Q CA 0.703 56.235 55.803 -0.451 0.000 0.908 163 Q CB 0.183 28.481 28.738 -0.732 0.000 1.002 163 Q HN 0.641 nan 8.270 nan 0.000 0.493 164 K N 0.299 120.579 120.400 -0.200 0.000 3.861 164 K HA 0.335 4.655 4.320 0.000 0.000 0.225 164 K C 0.289 176.841 176.600 -0.080 0.000 1.097 164 K CA -0.478 55.737 56.287 -0.120 0.000 1.792 164 K CB 0.446 32.873 32.500 -0.122 0.000 2.642 164 K HN -0.131 nan 8.250 nan 0.000 0.702 165 R N 1.420 121.871 120.500 -0.081 0.000 2.778 165 R HA 0.204 4.544 4.340 0.000 0.000 0.277 165 R C -0.326 175.931 176.300 -0.072 0.000 0.977 165 R CA -0.872 55.190 56.100 -0.063 0.000 0.950 165 R CB 0.978 31.244 30.300 -0.056 0.000 1.165 165 R HN 0.424 nan 8.270 nan 0.000 0.474 166 N N 3.381 122.050 118.700 -0.051 0.000 2.412 166 N HA -0.029 4.711 4.740 0.000 0.000 0.258 166 N C -1.484 173.989 175.510 -0.062 0.000 1.236 166 N CA -0.997 52.025 53.050 -0.048 0.000 0.882 166 N CB 0.918 39.389 38.487 -0.027 0.000 1.066 166 N HN 0.379 nan 8.380 nan 0.000 0.465 167 P HA -0.183 nan 4.420 nan 0.000 0.218 167 P C 0.952 178.218 177.300 -0.057 0.000 1.148 167 P CA 1.445 64.495 63.100 -0.082 0.000 0.822 167 P CB 0.445 32.090 31.700 -0.092 0.000 0.784 168 Q N -0.027 119.748 119.800 -0.042 0.000 2.159 168 Q HA -0.048 4.292 4.340 0.000 0.000 0.194 168 Q C 2.237 178.220 176.000 -0.027 0.000 0.968 168 Q CA 1.836 57.620 55.803 -0.031 0.000 0.837 168 Q CB -0.318 28.406 28.738 -0.023 0.000 0.920 168 Q HN 0.215 nan 8.270 nan 0.000 0.485 169 T N -1.686 112.853 114.554 -0.025 0.000 3.055 169 T HA -0.050 4.300 4.350 0.000 0.000 0.265 169 T C 0.959 175.643 174.700 -0.025 0.000 1.111 169 T CA 0.860 62.947 62.100 -0.022 0.000 1.118 169 T CB -0.237 68.620 68.868 -0.018 0.000 0.909 169 T HN 0.601 nan 8.240 nan 0.000 0.501 170 N N 0.213 118.894 118.700 -0.032 0.000 2.753 170 N HA -0.146 4.594 4.740 0.000 0.000 0.251 170 N C -0.712 174.779 175.510 -0.033 0.000 1.097 170 N CA 0.399 53.427 53.050 -0.035 0.000 0.786 170 N CB -1.332 37.136 38.487 -0.031 0.000 1.137 170 N HN 0.543 nan 8.380 nan 0.000 0.566 171 L N 1.028 122.233 121.223 -0.030 0.000 2.375 171 L HA 0.435 4.775 4.340 0.000 0.000 0.268 171 L C 0.947 177.799 176.870 -0.031 0.000 1.058 171 L CA -0.716 54.105 54.840 -0.030 0.000 0.803 171 L CB 0.972 43.015 42.059 -0.027 0.000 1.212 171 L HN -0.023 nan 8.230 nan 0.000 0.451 172 R N 1.023 121.503 120.500 -0.034 0.000 2.347 172 R HA 0.163 4.503 4.340 0.000 0.000 0.304 172 R C -0.993 175.289 176.300 -0.029 0.000 1.072 172 R CA -0.459 55.623 56.100 -0.030 0.000 0.980 172 R CB 0.546 30.825 30.300 -0.036 0.000 0.986 172 R HN 0.430 nan 8.270 nan 0.000 0.448 173 D N 1.860 122.262 120.400 0.002 0.000 2.344 173 D HA 0.239 4.879 4.640 0.000 0.000 0.239 173 D C 0.589 176.936 176.300 0.078 0.000 1.064 173 D CA -0.455 53.559 54.000 0.022 0.000 0.829 173 D CB 1.736 42.552 40.800 0.026 0.000 1.129 173 D HN 0.502 nan 8.370 nan 0.000 0.506 174 A N 3.879 126.734 122.820 0.058 0.000 2.015 174 A HA -0.134 4.186 4.320 0.000 0.000 0.219 174 A C 1.642 179.417 177.584 0.319 0.000 1.163 174 A CA 1.111 53.249 52.037 0.168 0.000 0.646 174 A CB -0.179 18.887 19.000 0.110 0.000 0.806 174 A HN 0.656 nan 8.150 nan 0.000 0.448 175 D N -0.094 120.430 120.400 0.207 0.000 2.117 175 D HA -0.143 4.498 4.640 0.000 0.000 0.198 175 D C 2.054 178.484 176.300 0.218 0.000 0.982 175 D CA 1.509 55.631 54.000 0.203 0.000 0.828 175 D CB -0.304 40.568 40.800 0.119 0.000 0.967 175 D HN 0.511 nan 8.370 nan 0.000 0.464 176 M N -0.245 119.458 119.600 0.173 0.000 2.086 176 M HA -0.126 4.354 4.480 0.000 0.000 0.261 176 M C 2.226 178.634 176.300 0.180 0.000 1.067 176 M CA 1.033 56.420 55.300 0.144 0.000 1.116 176 M CB -0.441 32.202 32.600 0.071 0.000 1.348 176 M HN -0.063 nan 8.290 nan 0.000 0.407 177 F N 0.107 120.061 119.950 0.006 0.000 2.043 177 F HA -0.254 4.273 4.527 0.000 0.000 0.297 177 F C 1.774 177.516 175.800 -0.098 0.000 1.121 177 F CA 1.871 59.800 58.000 -0.119 0.000 1.199 177 F CB -0.565 38.337 39.000 -0.163 0.000 0.968 177 F HN 0.076 nan 8.300 nan 0.000 0.478 178 W N 0.094 121.704 121.300 0.516 0.000 2.584 178 W HA -0.054 4.606 4.660 0.000 0.000 0.264 178 W C 2.218 178.845 176.519 0.180 0.000 1.264 178 W CA 0.651 58.200 57.345 0.339 0.000 1.306 178 W CB -0.367 29.256 29.460 0.273 0.000 1.110 178 W HN 0.063 nan 8.180 nan 0.000 0.606 179 D N -0.111 120.494 120.400 0.343 0.000 2.117 179 D HA -0.231 4.409 4.640 0.000 0.000 0.198 179 D C 1.814 178.222 176.300 0.179 0.000 0.982 179 D CA 1.167 55.298 54.000 0.220 0.000 0.828 179 D CB -0.378 40.529 40.800 0.177 0.000 0.967 179 D HN 0.087 nan 8.370 nan 0.000 0.464 180 F N 0.704 120.691 119.950 0.062 0.000 2.102 180 F HA -0.044 4.483 4.527 0.000 0.000 0.298 180 F C 2.005 177.820 175.800 0.026 0.000 1.105 180 F CA 1.242 59.257 58.000 0.025 0.000 1.239 180 F CB -0.232 38.758 39.000 -0.018 0.000 0.991 180 F HN -0.044 nan 8.300 nan 0.000 0.474 181 L N -0.209 121.087 121.223 0.121 0.000 2.201 181 L HA -0.148 4.192 4.340 0.000 0.000 0.212 181 L C 2.224 179.110 176.870 0.026 0.000 1.105 181 L CA 1.614 56.484 54.840 0.051 0.000 0.775 181 L CB -1.034 41.096 42.059 0.118 0.000 0.913 181 L HN 0.336 nan 8.230 nan 0.000 0.440 182 T N -5.494 109.113 114.554 0.088 0.000 3.107 182 T HA 0.039 4.389 4.350 0.000 0.000 0.249 182 T C 0.880 175.569 174.700 -0.019 0.000 1.096 182 T CA -0.176 61.955 62.100 0.053 0.000 1.012 182 T CB -0.401 68.525 68.868 0.097 0.000 0.977 182 T HN 0.007 nan 8.240 nan 0.000 0.527 183 T N 4.391 118.893 114.554 -0.087 0.000 2.902 183 T HA 0.152 4.502 4.350 0.000 0.000 0.301 183 T C -1.517 173.116 174.700 -0.110 0.000 1.012 183 T CA -0.855 61.178 62.100 -0.111 0.000 1.151 183 T CB 1.238 69.989 68.868 -0.195 0.000 0.946 183 T HN 0.085 nan 8.240 nan 0.000 0.542 184 P HA -0.192 nan 4.420 nan 0.000 0.215 184 P C 1.632 178.900 177.300 -0.053 0.000 1.163 184 P CA 0.984 64.059 63.100 -0.041 0.000 0.894 184 P CB 0.115 31.794 31.700 -0.034 0.000 0.791 185 E N -1.255 118.902 120.200 -0.072 0.000 2.478 185 E HA -0.114 4.236 4.350 0.000 0.000 0.198 185 E C 0.661 177.209 176.600 -0.088 0.000 1.046 185 E CA 0.935 57.291 56.400 -0.074 0.000 0.870 185 E CB -0.867 28.807 29.700 -0.044 0.000 0.818 185 E HN 0.287 nan 8.360 nan 0.000 0.527 186 N N 0.806 119.399 118.700 -0.179 0.000 2.236 186 N HA 0.030 4.770 4.740 0.000 0.000 0.196 186 N C 1.165 176.547 175.510 -0.212 0.000 1.114 186 N CA 0.119 53.001 53.050 -0.279 0.000 0.859 186 N CB 0.351 38.441 38.487 -0.661 0.000 0.982 186 N HN 0.288 nan 8.380 nan 0.000 0.493 187 Q N 0.195 119.912 119.800 -0.138 0.000 2.500 187 Q HA 0.029 4.369 4.340 0.000 0.000 0.213 187 Q C 1.513 177.364 176.000 -0.248 0.000 0.974 187 Q CA 0.295 56.031 55.803 -0.113 0.000 0.918 187 Q CB 0.139 28.920 28.738 0.072 0.000 0.980 187 Q HN 0.083 nan 8.270 nan 0.000 0.505 188 V N 0.510 120.284 119.914 -0.234 0.000 3.241 188 V HA -0.146 3.974 4.120 0.000 0.000 0.269 188 V C 1.785 177.705 176.094 -0.291 0.000 1.151 188 V CA 1.319 63.440 62.300 -0.300 0.000 1.158 188 V CB -0.419 31.253 31.823 -0.252 0.000 0.764 188 V HN 0.393 nan 8.190 nan 0.000 0.508 189 A N -0.295 122.383 122.820 -0.236 0.000 2.119 189 A HA -0.038 4.283 4.320 0.000 0.000 0.217 189 A C 2.099 179.561 177.584 -0.203 0.000 1.153 189 A CA 1.054 52.975 52.037 -0.193 0.000 0.692 189 A CB -0.442 18.515 19.000 -0.072 0.000 0.799 189 A HN 0.455 nan 8.150 nan 0.000 0.458 190 I N 0.022 120.425 120.570 -0.278 0.000 2.248 190 I HA -0.291 3.879 4.170 0.000 0.000 0.248 190 I C 2.112 178.145 176.117 -0.140 0.000 1.107 190 I CA 2.130 63.266 61.300 -0.273 0.000 1.373 190 I CB -1.046 36.605 38.000 -0.581 0.000 1.055 190 I HN 0.660 nan 8.210 nan 0.000 0.418 191 H N -0.434 118.464 119.070 -0.287 0.000 2.353 191 H HA -0.243 4.313 4.556 0.000 0.000 0.300 191 H C 2.185 177.397 175.328 -0.193 0.000 1.090 191 H CA 1.601 57.523 56.048 -0.210 0.000 1.327 191 H CB 0.364 29.979 29.762 -0.246 0.000 1.383 191 H HN 0.279 nan 8.280 nan 0.000 0.508 192 Q N 0.623 120.239 119.800 -0.308 0.000 2.172 192 Q HA -0.064 4.276 4.340 0.000 0.000 0.200 192 Q C 2.302 178.103 176.000 -0.331 0.000 0.964 192 Q CA 1.268 56.758 55.803 -0.523 0.000 0.855 192 Q CB -0.225 27.937 28.738 -0.961 0.000 0.918 192 Q HN 0.348 nan 8.270 nan 0.000 0.444 193 V N 0.316 120.188 119.914 -0.069 0.000 2.407 193 V HA -0.257 3.863 4.120 0.000 0.000 0.248 193 V C 2.266 178.626 176.094 0.443 0.000 1.055 193 V CA 1.626 64.110 62.300 0.305 0.000 1.049 193 V CB -0.561 31.492 31.823 0.384 0.000 0.662 193 V HN 0.416 nan 8.190 nan 0.000 0.455 194 M N -0.636 119.152 119.600 0.313 0.000 2.080 194 M HA -0.157 4.324 4.480 0.000 0.000 0.260 194 M C 2.226 178.679 176.300 0.255 0.000 1.068 194 M CA 2.064 57.567 55.300 0.338 0.000 1.109 194 M CB -0.959 31.809 32.600 0.281 0.000 1.342 194 M HN 0.286 nan 8.290 nan 0.000 0.405 195 I N -0.182 120.459 120.570 0.118 0.000 2.315 195 I HA -0.286 3.884 4.170 0.000 0.000 0.248 195 I C 2.417 178.579 176.117 0.074 0.000 1.117 195 I CA 0.662 61.998 61.300 0.060 0.000 1.404 195 I CB -0.487 37.465 38.000 -0.080 0.000 1.071 195 I HN 0.203 nan 8.210 nan 0.000 0.419 196 L N 0.600 121.859 121.223 0.059 0.000 2.017 196 L HA -0.161 4.179 4.340 0.000 0.000 0.208 196 L C 1.873 178.689 176.870 -0.090 0.000 1.073 196 L CA 2.056 56.893 54.840 -0.005 0.000 0.745 196 L CB -0.630 41.441 42.059 0.020 0.000 0.894 196 L HN 0.050 nan 8.230 nan 0.000 0.432 197 F N -0.369 119.689 119.950 0.180 0.000 2.797 197 F HA 0.152 4.679 4.527 0.000 0.000 0.302 197 F C 1.637 177.523 175.800 0.144 0.000 1.130 197 F CA 0.232 58.333 58.000 0.170 0.000 1.387 197 F CB -0.629 38.493 39.000 0.203 0.000 1.107 197 F HN 0.157 nan 8.300 nan 0.000 0.577 198 S N -1.093 114.754 115.700 0.245 0.000 2.655 198 S HA 0.083 4.553 4.470 0.000 0.000 0.265 198 S C 0.956 175.643 174.600 0.145 0.000 1.240 198 S CA -0.684 57.632 58.200 0.193 0.000 0.986 198 S CB 0.829 64.129 63.200 0.167 0.000 0.985 198 S HN 0.072 nan 8.310 nan 0.000 0.562 199 D N 0.194 120.670 120.400 0.128 0.000 2.350 199 D HA 0.011 4.651 4.640 0.000 0.000 0.216 199 D C 1.826 178.180 176.300 0.090 0.000 0.968 199 D CA 0.494 54.557 54.000 0.104 0.000 0.894 199 D CB -0.116 40.740 40.800 0.092 0.000 0.909 199 D HN 0.397 nan 8.370 nan 0.000 0.520 200 R N 0.117 120.676 120.500 0.098 0.000 2.189 200 R HA -0.004 4.336 4.340 0.000 0.000 0.223 200 R C 2.067 178.426 176.300 0.099 0.000 1.092 200 R CA 0.796 56.957 56.100 0.101 0.000 0.989 200 R CB -0.655 29.714 30.300 0.115 0.000 0.876 200 R HN 0.173 nan 8.270 nan 0.000 0.457 201 G N 0.822 109.670 108.800 0.079 0.000 2.534 201 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 201 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 201 G C 0.517 175.450 174.900 0.055 0.000 1.128 201 G CA 0.898 46.029 45.100 0.052 0.000 0.784 201 G HN 0.371 nan 8.290 nan 0.000 0.542 202 T N -0.101 114.490 114.554 0.062 0.000 3.327 202 T HA 0.516 4.866 4.350 0.000 0.000 0.373 202 T C -2.936 171.798 174.700 0.057 0.000 1.589 202 T CA -1.936 60.198 62.100 0.056 0.000 1.497 202 T CB 2.467 71.363 68.868 0.046 0.000 1.032 202 T HN -0.029 nan 8.240 nan 0.000 0.640 203 P HA 0.262 nan 4.420 nan 0.000 0.272 203 P C 1.033 178.354 177.300 0.035 0.000 1.223 203 P CA -0.313 62.819 63.100 0.053 0.000 0.784 203 P CB 0.924 32.667 31.700 0.070 0.000 0.923 204 A N 2.952 125.798 122.820 0.043 0.000 1.972 204 A HA -0.126 4.194 4.320 0.000 0.000 0.219 204 A C 0.777 178.405 177.584 0.074 0.000 1.169 204 A CA 1.837 53.922 52.037 0.081 0.000 0.635 204 A CB -1.008 18.035 19.000 0.072 0.000 0.810 204 A HN 0.869 nan 8.150 nan 0.000 0.446 205 N N -5.830 112.843 118.700 -0.045 0.000 3.355 205 N HA 0.251 4.991 4.740 0.000 0.000 0.238 205 N C -0.266 175.130 175.510 -0.191 0.000 1.466 205 N CA -0.550 52.379 53.050 -0.202 0.000 0.882 205 N CB -0.112 38.264 38.487 -0.185 0.000 1.406 205 N HN -0.168 nan 8.380 nan 0.000 0.500 206 Y N -0.217 119.962 120.300 -0.202 0.000 2.421 206 Y HA 0.148 4.698 4.550 0.000 0.000 0.292 206 Y C 1.906 177.661 175.900 -0.241 0.000 1.136 206 Y CA 0.760 58.592 58.100 -0.447 0.000 1.255 206 Y CB -0.208 37.608 38.460 -1.074 0.000 0.991 206 Y HN 0.440 nan 8.280 nan 0.000 0.552 207 R N -0.206 120.305 120.500 0.019 0.000 2.235 207 R HA -0.008 4.332 4.340 0.000 0.000 0.213 207 R C 0.993 177.275 176.300 -0.030 0.000 1.059 207 R CA 1.139 57.246 56.100 0.012 0.000 0.997 207 R CB -0.144 30.114 30.300 -0.070 0.000 0.884 207 R HN 0.215 nan 8.270 nan 0.000 0.462 208 S N 0.296 116.012 115.700 0.026 0.000 2.457 208 S HA 0.357 4.827 4.470 0.000 0.000 0.237 208 S C 0.054 174.687 174.600 0.054 0.000 1.213 208 S CA -0.926 57.281 58.200 0.012 0.000 1.218 208 S CB -0.168 63.024 63.200 -0.013 0.000 0.922 208 S HN 0.186 nan 8.310 nan 0.000 0.488 209 M N -0.522 119.194 119.600 0.192 0.000 2.575 209 M HA 0.675 5.155 4.480 0.000 0.000 0.284 209 M C -1.333 175.251 176.300 0.473 0.000 1.253 209 M CA -0.767 54.662 55.300 0.216 0.000 0.861 209 M CB 1.177 33.947 32.600 0.283 0.000 1.733 209 M HN -0.017 nan 8.290 nan 0.000 0.462 210 H N -0.009 119.316 119.070 0.425 0.000 2.500 210 H HA 0.824 5.380 4.556 0.000 0.000 0.351 210 H C -0.299 175.149 175.328 0.199 0.000 1.281 210 H CA -0.412 55.803 56.048 0.279 0.000 1.368 210 H CB 1.637 31.354 29.762 -0.075 0.000 1.616 210 H HN 0.952 nan 8.280 nan 0.000 0.591 211 G N -0.078 108.652 108.800 -0.117 0.000 2.542 211 G HA2 0.523 4.483 3.960 0.000 0.000 0.311 211 G HA3 0.523 4.483 3.960 0.000 0.000 0.311 211 G C -1.879 172.700 174.900 -0.534 0.000 1.298 211 G CA -0.399 44.485 45.100 -0.359 0.000 0.973 211 G HN 0.383 nan 8.290 nan 0.000 0.487 212 Y N 0.465 120.638 120.300 -0.211 0.000 2.513 212 Y HA 0.418 4.968 4.550 0.000 0.000 0.340 212 Y C 1.290 176.653 175.900 -0.895 0.000 1.055 212 Y CA -0.742 57.051 58.100 -0.511 0.000 1.020 212 Y CB 2.268 40.463 38.460 -0.442 0.000 1.301 212 Y HN 0.527 nan 8.280 nan 0.000 0.453 213 S N 1.583 116.601 115.700 -1.138 0.000 2.374 213 S HA -0.097 4.373 4.470 0.000 0.000 0.227 213 S C 1.909 176.121 174.600 -0.647 0.000 1.037 213 S CA 2.384 59.772 58.200 -1.354 0.000 1.024 213 S CB -0.751 61.927 63.200 -0.869 0.000 0.861 213 S HN 1.346 nan 8.310 nan 0.000 0.456 214 G N 1.149 109.635 108.800 -0.525 0.000 5.229 214 G HA2 -0.277 3.683 3.960 0.000 0.000 0.250 214 G HA3 -0.277 3.683 3.960 0.000 0.000 0.250 214 G C 0.133 174.767 174.900 -0.442 0.000 1.380 214 G CA 0.477 45.282 45.100 -0.493 0.000 0.933 214 G HN 0.653 nan 8.290 nan 0.000 0.731 215 H N 1.503 120.458 119.070 -0.193 0.000 2.603 215 H HA 0.498 5.054 4.556 0.000 0.000 0.370 215 H C 0.205 175.419 175.328 -0.190 0.000 1.225 215 H CA 0.795 56.731 56.048 -0.187 0.000 1.410 215 H CB 0.302 29.898 29.762 -0.276 0.000 1.495 215 H HN 0.332 nan 8.280 nan 0.000 0.602 216 T N 2.264 116.815 114.554 -0.005 0.000 2.817 216 T HA 0.268 4.618 4.350 0.000 0.000 0.293 216 T C -0.256 174.482 174.700 0.064 0.000 0.964 216 T CA -0.161 61.959 62.100 0.033 0.000 1.085 216 T CB 0.034 69.006 68.868 0.174 0.000 0.921 216 T HN 0.273 nan 8.240 nan 0.000 0.502 217 Y N 1.187 121.559 120.300 0.120 0.000 2.602 217 Y HA 0.502 5.052 4.550 0.000 0.000 0.330 217 Y C 0.673 176.780 175.900 0.344 0.000 1.114 217 Y CA -1.111 57.125 58.100 0.227 0.000 1.182 217 Y CB 1.451 40.042 38.460 0.219 0.000 1.305 217 Y HN 0.352 nan 8.280 nan 0.000 0.502 218 K N 1.648 122.400 120.400 0.586 0.000 2.425 218 K HA 0.241 4.561 4.320 0.000 0.000 0.259 218 K C -1.813 175.218 176.600 0.719 0.000 0.978 218 K CA -0.504 56.109 56.287 0.543 0.000 0.883 218 K CB 0.907 33.585 32.500 0.295 0.000 1.110 218 K HN 0.416 nan 8.250 nan 0.000 0.436 219 W N 1.532 123.071 121.300 0.399 0.000 2.520 219 W HA 0.343 5.003 4.660 0.000 0.000 0.323 219 W C 0.276 177.042 176.519 0.412 0.000 1.062 219 W CA -0.970 56.596 57.345 0.369 0.000 1.215 219 W CB 1.535 31.177 29.460 0.302 0.000 1.340 219 W HN 0.470 nan 8.180 nan 0.000 0.516 220 S N 1.876 117.947 115.700 0.617 0.000 2.548 220 S HA 0.595 5.065 4.470 0.000 0.000 0.286 220 S C -0.364 174.480 174.600 0.406 0.000 1.098 220 S CA -1.037 57.502 58.200 0.565 0.000 0.930 220 S CB 1.862 65.465 63.200 0.672 0.000 1.070 220 S HN 0.433 nan 8.310 nan 0.000 0.480 221 N N 1.063 119.929 118.700 0.275 0.000 2.364 221 N HA 0.298 5.038 4.740 0.000 0.000 0.264 221 N C 0.339 175.842 175.510 -0.012 0.000 1.263 221 N CA -0.808 52.273 53.050 0.052 0.000 0.959 221 N CB 0.096 38.630 38.487 0.079 0.000 1.204 221 N HN 0.703 nan 8.380 nan 0.000 0.550 222 K N -0.728 119.570 120.400 -0.171 0.000 2.362 222 K HA -0.008 4.312 4.320 0.000 0.000 0.200 222 K C 0.469 177.112 176.600 0.072 0.000 1.046 222 K CA 0.913 57.162 56.287 -0.064 0.000 0.952 222 K CB -0.363 32.070 32.500 -0.112 0.000 0.753 222 K HN 0.550 nan 8.250 nan 0.000 0.466 223 N N -0.533 118.210 118.700 0.072 0.000 2.463 223 N HA -0.011 4.729 4.740 0.000 0.000 0.181 223 N C 0.894 176.474 175.510 0.117 0.000 1.078 223 N CA 0.698 53.799 53.050 0.084 0.000 0.902 223 N CB 0.762 39.292 38.487 0.072 0.000 0.970 223 N HN 0.263 nan 8.380 nan 0.000 0.451 224 G N -0.020 108.880 108.800 0.167 0.000 2.179 224 G HA2 -0.206 3.754 3.960 0.000 0.000 0.220 224 G HA3 -0.206 3.754 3.960 0.000 0.000 0.220 224 G C -0.841 174.280 174.900 0.367 0.000 0.990 224 G CA -0.375 44.853 45.100 0.213 0.000 0.646 224 G HN 0.240 nan 8.290 nan 0.000 0.517 225 D N 1.142 121.712 120.400 0.283 0.000 2.350 225 D HA 0.473 5.113 4.640 0.000 0.000 0.249 225 D C 0.805 177.328 176.300 0.370 0.000 1.119 225 D CA 0.411 54.557 54.000 0.243 0.000 0.886 225 D CB 0.783 41.663 40.800 0.134 0.000 1.195 225 D HN 0.562 nan 8.370 nan 0.000 0.437 226 W N 1.149 122.501 121.300 0.087 0.000 2.902 226 W HA 0.584 5.244 4.660 0.000 0.000 0.346 226 W C -1.305 175.165 176.519 -0.083 0.000 1.139 226 W CA -0.834 56.576 57.345 0.108 0.000 1.139 226 W CB 0.443 29.923 29.460 0.034 0.000 1.439 226 W HN 0.285 nan 8.180 nan 0.000 0.558 227 H N -0.336 118.891 119.070 0.262 0.000 2.930 227 H HA 0.328 4.884 4.556 0.000 0.000 0.371 227 H C -1.278 174.196 175.328 0.244 0.000 1.169 227 H CA -0.677 55.398 56.048 0.045 0.000 1.157 227 H CB 1.679 31.483 29.762 0.070 0.000 1.789 227 H HN 0.192 nan 8.280 nan 0.000 0.547 228 Y N 1.161 121.689 120.300 0.379 0.000 2.465 228 Y HA 0.348 4.898 4.550 0.000 0.000 0.331 228 Y C 0.117 176.268 175.900 0.419 0.000 1.102 228 Y CA -0.096 58.258 58.100 0.423 0.000 1.358 228 Y CB 0.423 39.091 38.460 0.347 0.000 1.213 228 Y HN 0.243 nan 8.280 nan 0.000 0.525 229 V N 4.421 124.559 119.914 0.373 0.000 2.735 229 V HA 0.452 4.572 4.120 0.000 0.000 0.310 229 V C -0.590 175.338 176.094 -0.277 0.000 1.061 229 V CA -1.115 61.146 62.300 -0.065 0.000 0.913 229 V CB 2.094 33.479 31.823 -0.729 0.000 1.005 229 V HN 0.626 nan 8.190 nan 0.000 0.428 230 Q N 2.227 121.765 119.800 -0.438 0.000 2.304 230 Q HA 0.607 4.947 4.340 0.000 0.000 0.270 230 Q C -1.464 174.324 176.000 -0.353 0.000 1.035 230 Q CA -0.586 54.889 55.803 -0.546 0.000 0.781 230 Q CB 2.882 31.090 28.738 -0.884 0.000 1.261 230 Q HN 0.583 nan 8.270 nan 0.000 0.444 231 V N 2.453 122.089 119.914 -0.463 0.000 2.617 231 V HA 0.363 4.483 4.120 0.000 0.000 0.298 231 V C -0.295 175.611 176.094 -0.314 0.000 1.048 231 V CA -0.513 61.581 62.300 -0.343 0.000 0.964 231 V CB 1.357 32.857 31.823 -0.538 0.000 1.004 231 V HN 0.704 nan 8.190 nan 0.000 0.466 232 H N 4.454 123.452 119.070 -0.120 0.000 2.906 232 H HA 0.451 5.008 4.556 0.000 0.000 0.324 232 H C -0.932 174.392 175.328 -0.007 0.000 0.973 232 H CA -0.423 55.560 56.048 -0.108 0.000 1.321 232 H CB 1.855 31.604 29.762 -0.021 0.000 1.535 232 H HN 0.480 nan 8.280 nan 0.000 0.518 233 I N 4.491 125.022 120.570 -0.064 0.000 2.313 233 I HA 0.100 4.270 4.170 0.000 0.000 0.286 233 I C -0.016 176.224 176.117 0.206 0.000 1.091 233 I CA -0.595 60.748 61.300 0.071 0.000 1.216 233 I CB 0.239 38.112 38.000 -0.212 0.000 1.434 233 I HN 0.138 nan 8.210 nan 0.000 0.487 234 K N 3.570 124.168 120.400 0.330 0.000 2.234 234 K HA 0.231 4.551 4.320 0.000 0.000 0.282 234 K C 0.190 177.138 176.600 0.579 0.000 1.039 234 K CA -0.311 56.165 56.287 0.314 0.000 0.928 234 K CB 1.611 34.228 32.500 0.194 0.000 1.039 234 K HN 0.376 nan 8.250 nan 0.000 0.470 235 T N 1.680 116.633 114.554 0.666 0.000 2.851 235 T HA 0.041 4.391 4.350 0.000 0.000 0.298 235 T C 0.521 175.240 174.700 0.032 0.000 0.977 235 T CA -0.360 61.786 62.100 0.076 0.000 1.126 235 T CB 0.247 69.131 68.868 0.027 0.000 0.916 235 T HN 0.307 nan 8.240 nan 0.000 0.529 236 D N 3.602 123.918 120.400 -0.141 0.000 2.347 236 D HA 0.018 4.658 4.640 0.000 0.000 0.213 236 D C 1.666 177.922 176.300 -0.073 0.000 0.985 236 D CA 0.689 54.657 54.000 -0.053 0.000 0.879 236 D CB 0.307 41.075 40.800 -0.053 0.000 0.919 236 D HN 0.572 nan 8.370 nan 0.000 0.526 237 Q N 0.055 119.768 119.800 -0.145 0.000 2.424 237 Q HA 0.326 4.666 4.340 0.000 0.000 0.204 237 Q C 0.816 176.789 176.000 -0.044 0.000 0.933 237 Q CA 0.389 56.131 55.803 -0.102 0.000 0.929 237 Q CB 0.599 29.248 28.738 -0.149 0.000 1.037 237 Q HN 0.192 nan 8.270 nan 0.000 0.511 238 G N 0.507 109.299 108.800 -0.014 0.000 2.705 238 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 238 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 238 G C -0.706 174.190 174.900 -0.006 0.000 1.285 238 G CA -0.928 44.188 45.100 0.027 0.000 0.800 238 G HN 0.073 nan 8.290 nan 0.000 0.611 239 I N 1.397 121.958 120.570 -0.015 0.000 2.587 239 I HA 0.227 4.397 4.170 0.000 0.000 0.284 239 I C 0.816 176.933 176.117 0.000 0.000 1.134 239 I CA 0.783 62.055 61.300 -0.047 0.000 1.410 239 I CB 0.975 38.948 38.000 -0.045 0.000 1.392 239 I HN 0.586 nan 8.210 nan 0.000 0.545 240 K N 6.601 127.004 120.400 0.004 0.000 2.507 240 K HA 0.408 4.728 4.320 0.000 0.000 0.251 240 K C -0.974 175.644 176.600 0.030 0.000 0.943 240 K CA -0.634 55.664 56.287 0.019 0.000 0.794 240 K CB 1.674 34.183 32.500 0.015 0.000 1.188 240 K HN 0.534 nan 8.250 nan 0.000 0.428 241 N N 3.102 121.825 118.700 0.038 0.000 2.457 241 N HA 0.546 5.286 4.740 0.000 0.000 0.290 241 N C -0.850 174.686 175.510 0.042 0.000 1.232 241 N CA -0.553 52.525 53.050 0.046 0.000 0.852 241 N CB 1.328 39.848 38.487 0.055 0.000 1.313 241 N HN 0.396 nan 8.380 nan 0.000 0.522 242 L N 0.240 121.488 121.223 0.042 0.000 2.333 242 L HA 0.488 4.828 4.340 0.000 0.000 0.269 242 L C 0.894 177.789 176.870 0.042 0.000 1.010 242 L CA -0.858 53.999 54.840 0.029 0.000 0.818 242 L CB 1.916 43.980 42.059 0.010 0.000 1.306 242 L HN 0.637 nan 8.230 nan 0.000 0.430 243 T N -2.083 112.494 114.554 0.039 0.000 2.816 243 T HA 0.189 4.539 4.350 0.000 0.000 0.282 243 T C 0.888 175.632 174.700 0.073 0.000 0.993 243 T CA -0.489 61.649 62.100 0.064 0.000 0.994 243 T CB 1.232 70.130 68.868 0.051 0.000 1.025 243 T HN 0.459 nan 8.240 nan 0.000 0.529 244 I N 0.651 121.294 120.570 0.122 0.000 2.546 244 I HA 0.021 4.191 4.170 0.000 0.000 0.255 244 I C 2.105 178.278 176.117 0.092 0.000 1.163 244 I CA 1.316 62.685 61.300 0.115 0.000 1.457 244 I CB -0.780 37.317 38.000 0.162 0.000 1.092 244 I HN 0.767 nan 8.210 nan 0.000 0.434 245 E N 0.463 120.725 120.200 0.103 0.000 2.072 245 E HA -0.193 4.157 4.350 0.000 0.000 0.191 245 E C 2.094 178.704 176.600 0.018 0.000 0.985 245 E CA 1.469 57.909 56.400 0.067 0.000 0.801 245 E CB -0.235 29.500 29.700 0.058 0.000 0.750 245 E HN 0.553 nan 8.360 nan 0.000 0.452 246 E N 0.442 120.644 120.200 0.003 0.000 2.051 246 E HA -0.167 4.183 4.350 0.000 0.000 0.192 246 E C 2.118 178.677 176.600 -0.068 0.000 0.991 246 E CA 0.982 57.360 56.400 -0.038 0.000 0.799 246 E CB -0.194 29.483 29.700 -0.038 0.000 0.748 246 E HN 0.276 nan 8.360 nan 0.000 0.449 247 A N 0.869 123.664 122.820 -0.040 0.000 1.933 247 A HA -0.179 4.141 4.320 0.000 0.000 0.218 247 A C 2.355 179.912 177.584 -0.045 0.000 1.175 247 A CA 1.902 53.910 52.037 -0.049 0.000 0.628 247 A CB -0.804 18.192 19.000 -0.006 0.000 0.814 247 A HN 0.181 nan 8.150 nan 0.000 0.444 248 T N -0.149 114.394 114.554 -0.019 0.000 2.857 248 T HA -0.079 4.271 4.350 0.000 0.000 0.266 248 T C 1.885 176.567 174.700 -0.031 0.000 1.048 248 T CA 1.572 63.663 62.100 -0.015 0.000 1.139 248 T CB -0.133 68.738 68.868 0.006 0.000 0.874 248 T HN 0.557 nan 8.240 nan 0.000 0.455 249 K N 0.855 121.231 120.400 -0.041 0.000 2.026 249 K HA 0.058 4.378 4.320 0.000 0.000 0.208 249 K C 2.162 178.717 176.600 -0.074 0.000 1.048 249 K CA 1.182 57.439 56.287 -0.050 0.000 0.929 249 K CB -0.304 32.164 32.500 -0.054 0.000 0.713 249 K HN 0.302 nan 8.250 nan 0.000 0.439 250 I N 1.142 121.637 120.570 -0.125 0.000 2.361 250 I HA -0.244 3.927 4.170 0.000 0.000 0.251 250 I C 2.463 178.520 176.117 -0.099 0.000 1.133 250 I CA 0.748 61.941 61.300 -0.179 0.000 1.413 250 I CB -0.400 37.368 38.000 -0.387 0.000 1.073 250 I HN 0.162 nan 8.210 nan 0.000 0.424 251 A N 1.032 123.812 122.820 -0.066 0.000 1.908 251 A HA -0.146 4.174 4.320 0.000 0.000 0.218 251 A C 2.429 179.998 177.584 -0.025 0.000 1.181 251 A CA 2.078 54.095 52.037 -0.033 0.000 0.627 251 A CB -1.277 17.707 19.000 -0.026 0.000 0.818 251 A HN 0.457 nan 8.150 nan 0.000 0.445 252 G N -1.473 107.311 108.800 -0.028 0.000 2.426 252 G HA2 -0.031 3.929 3.960 0.000 0.000 0.214 252 G HA3 -0.031 3.929 3.960 0.000 0.000 0.214 252 G C 1.892 176.782 174.900 -0.016 0.000 1.156 252 G CA 1.314 46.402 45.100 -0.020 0.000 0.802 252 G HN 0.562 nan 8.290 nan 0.000 0.534 253 S N 0.408 116.094 115.700 -0.022 0.000 2.344 253 S HA -0.085 4.385 4.470 0.000 0.000 0.217 253 S C 1.004 175.607 174.600 0.005 0.000 1.033 253 S CA 1.238 59.429 58.200 -0.015 0.000 1.017 253 S CB -0.213 62.967 63.200 -0.033 0.000 0.941 253 S HN 0.318 nan 8.310 nan 0.000 0.430 254 N N 0.423 119.131 118.700 0.013 0.000 2.617 254 N HA 0.454 5.194 4.740 0.000 0.000 0.263 254 N C -2.611 172.943 175.510 0.074 0.000 1.074 254 N CA -2.093 50.994 53.050 0.061 0.000 0.841 254 N CB 1.715 40.280 38.487 0.131 0.000 1.221 254 N HN 0.001 nan 8.380 nan 0.000 0.529 255 P HA -0.030 nan 4.420 nan 0.000 0.221 255 P C -0.479 176.881 177.300 0.101 0.000 1.145 255 P CA 1.211 64.337 63.100 0.043 0.000 0.795 255 P CB 0.293 31.996 31.700 0.005 0.000 0.775 256 D N -2.459 118.011 120.400 0.117 0.000 2.894 256 D HA 0.050 4.690 4.640 0.000 0.000 0.273 256 D C 0.833 177.212 176.300 0.132 0.000 1.328 256 D CA -0.402 53.679 54.000 0.137 0.000 0.845 256 D CB -0.221 40.627 40.800 0.080 0.000 1.072 256 D HN 0.143 nan 8.370 nan 0.000 0.484 257 Y N 0.843 121.155 120.300 0.020 0.000 2.128 257 Y HA -0.299 4.252 4.550 0.000 0.000 0.284 257 Y C 2.116 178.000 175.900 -0.028 0.000 1.154 257 Y CA 1.568 59.665 58.100 -0.006 0.000 1.149 257 Y CB -0.148 38.299 38.460 -0.022 0.000 0.976 257 Y HN 0.109 nan 8.280 nan 0.000 0.505 258 C N -0.260 118.976 119.300 -0.107 0.000 2.464 258 C HA -0.082 4.378 4.460 0.000 0.000 0.278 258 C C 2.618 177.554 174.990 -0.090 0.000 1.375 258 C CA 0.986 59.822 59.018 -0.304 0.000 1.761 258 C CB -1.049 26.315 27.740 -0.627 0.000 1.944 258 C HN 0.620 nan 8.230 nan 0.000 0.509 259 Q N 1.438 121.274 119.800 0.061 0.000 2.079 259 Q HA -0.188 4.152 4.340 0.000 0.000 0.200 259 Q C 2.158 178.226 176.000 0.114 0.000 0.974 259 Q CA 1.776 57.666 55.803 0.145 0.000 0.840 259 Q CB -0.596 28.204 28.738 0.103 0.000 0.898 259 Q HN 0.717 nan 8.270 nan 0.000 0.430 260 Q N -0.331 119.487 119.800 0.029 0.000 2.084 260 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 260 Q C 1.527 177.542 176.000 0.025 0.000 0.978 260 Q CA 1.882 57.703 55.803 0.031 0.000 0.844 260 Q CB -0.195 28.533 28.738 -0.016 0.000 0.898 260 Q HN 0.619 nan 8.270 nan 0.000 0.426 261 D N -0.418 119.907 120.400 -0.126 0.000 2.097 261 D HA -0.206 4.434 4.640 0.000 0.000 0.195 261 D C 1.921 178.215 176.300 -0.010 0.000 0.989 261 D CA 1.137 55.047 54.000 -0.150 0.000 0.827 261 D CB -0.074 40.518 40.800 -0.346 0.000 0.966 261 D HN 0.247 nan 8.370 nan 0.000 0.456 262 L N -0.567 120.692 121.223 0.061 0.000 2.056 262 L HA 0.001 4.341 4.340 0.000 0.000 0.207 262 L C 1.939 178.910 176.870 0.168 0.000 1.078 262 L CA 1.464 56.388 54.840 0.139 0.000 0.749 262 L CB -0.830 41.368 42.059 0.231 0.000 0.901 262 L HN 0.175 nan 8.230 nan 0.000 0.433 263 F N 0.595 120.601 119.950 0.093 0.000 2.075 263 F HA -0.208 4.319 4.527 0.000 0.000 0.297 263 F C 2.388 178.239 175.800 0.086 0.000 1.113 263 F CA 2.071 60.133 58.000 0.103 0.000 1.218 263 F CB -0.172 38.880 39.000 0.086 0.000 0.984 263 F HN 0.171 nan 8.300 nan 0.000 0.472 264 E N -0.011 120.322 120.200 0.222 0.000 2.150 264 E HA -0.179 4.171 4.350 0.000 0.000 0.193 264 E C 2.299 178.909 176.600 0.016 0.000 0.985 264 E CA 0.837 57.309 56.400 0.119 0.000 0.814 264 E CB -0.347 29.426 29.700 0.122 0.000 0.752 264 E HN 0.512 nan 8.360 nan 0.000 0.466 265 A N 1.158 123.988 122.820 0.018 0.000 1.877 265 A HA -0.167 4.153 4.320 0.000 0.000 0.216 265 A C 2.150 179.747 177.584 0.022 0.000 1.186 265 A CA 1.064 53.106 52.037 0.008 0.000 0.620 265 A CB -0.510 18.505 19.000 0.025 0.000 0.822 265 A HN 0.137 nan 8.150 nan 0.000 0.443 266 I N -0.667 119.935 120.570 0.053 0.000 2.315 266 I HA -0.263 3.907 4.170 0.000 0.000 0.248 266 I C 2.789 178.950 176.117 0.073 0.000 1.117 266 I CA 1.583 62.980 61.300 0.161 0.000 1.404 266 I CB -0.323 37.729 38.000 0.087 0.000 1.071 266 I HN 0.528 nan 8.210 nan 0.000 0.419 267 Q N 1.066 120.790 119.800 -0.126 0.000 2.124 267 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 267 Q C 1.313 177.290 176.000 -0.039 0.000 0.977 267 Q CA 1.368 57.093 55.803 -0.130 0.000 0.850 267 Q CB 0.085 28.698 28.738 -0.209 0.000 0.901 267 Q HN 0.471 nan 8.270 nan 0.000 0.429 268 N N -0.724 117.948 118.700 -0.047 0.000 2.383 268 N HA 0.054 4.794 4.740 0.000 0.000 0.192 268 N C 0.677 176.102 175.510 -0.142 0.000 1.141 268 N CA 0.947 53.960 53.050 -0.062 0.000 0.851 268 N CB 0.809 39.267 38.487 -0.047 0.000 0.976 268 N HN 0.457 nan 8.380 nan 0.000 0.465 269 G N 1.141 109.799 108.800 -0.237 0.000 2.179 269 G HA2 -0.316 3.645 3.960 0.000 0.000 0.260 269 G HA3 -0.316 3.645 3.960 0.000 0.000 0.260 269 G C 0.143 174.538 174.900 -0.842 0.000 0.977 269 G CA 0.074 44.786 45.100 -0.646 0.000 0.641 269 G HN 0.534 nan 8.290 nan 0.000 0.533 270 N N 0.502 118.957 118.700 -0.409 0.000 3.034 270 N HA 0.309 5.049 4.740 0.000 0.000 0.265 270 N C -0.343 175.104 175.510 -0.104 0.000 1.166 270 N CA -0.558 52.344 53.050 -0.246 0.000 1.081 270 N CB -0.088 38.327 38.487 -0.121 0.000 1.378 270 N HN 0.190 nan 8.380 nan 0.000 0.520 271 Y N 2.411 122.716 120.300 0.009 0.000 2.569 271 Y HA 0.173 4.723 4.550 0.000 0.000 0.332 271 Y C -1.543 174.354 175.900 -0.004 0.000 1.120 271 Y CA -2.582 55.532 58.100 0.024 0.000 1.416 271 Y CB -0.228 38.261 38.460 0.049 0.000 1.210 271 Y HN 0.405 nan 8.280 nan 0.000 0.528 272 P HA 0.135 nan 4.420 nan 0.000 0.271 272 P C -0.654 176.627 177.300 -0.033 0.000 1.216 272 P CA -0.174 62.891 63.100 -0.058 0.000 0.771 272 P CB 1.295 32.948 31.700 -0.077 0.000 0.864 273 S N 2.309 117.871 115.700 -0.230 0.000 2.599 273 S HA 0.732 5.202 4.470 0.000 0.000 0.287 273 S C -1.346 173.162 174.600 -0.153 0.000 1.105 273 S CA -0.792 57.407 58.200 -0.003 0.000 0.899 273 S CB 1.731 64.957 63.200 0.044 0.000 1.100 273 S HN 0.525 nan 8.310 nan 0.000 0.482 274 W N 0.642 122.060 121.300 0.197 0.000 2.998 274 W HA 0.391 5.051 4.660 0.000 0.000 0.335 274 W C -0.991 175.637 176.519 0.182 0.000 1.110 274 W CA -0.679 56.812 57.345 0.243 0.000 1.230 274 W CB 2.508 32.181 29.460 0.354 0.000 1.405 274 W HN 0.595 nan 8.180 nan 0.000 0.493 275 T N 2.310 117.064 114.554 0.334 0.000 2.767 275 T HA 0.309 4.659 4.350 0.000 0.000 0.288 275 T C 0.005 174.759 174.700 0.089 0.000 0.963 275 T CA -0.404 61.769 62.100 0.122 0.000 1.019 275 T CB 1.418 70.281 68.868 -0.008 0.000 0.923 275 T HN 0.046 nan 8.240 nan 0.000 0.468 276 V N 4.920 124.879 119.914 0.074 0.000 2.461 276 V HA 0.404 4.524 4.120 0.000 0.000 0.275 276 V C -0.795 175.252 176.094 -0.078 0.000 1.047 276 V CA -0.458 61.955 62.300 0.188 0.000 0.955 276 V CB -0.139 31.993 31.823 0.515 0.000 0.988 276 V HN 0.772 nan 8.190 nan 0.000 0.471 277 Y N 4.495 124.902 120.300 0.179 0.000 2.576 277 Y HA 0.786 5.336 4.550 0.000 0.000 0.346 277 Y C 0.104 176.041 175.900 0.061 0.000 1.018 277 Y CA -1.074 57.084 58.100 0.096 0.000 1.050 277 Y CB 2.063 40.536 38.460 0.021 0.000 1.280 277 Y HN 0.616 nan 8.280 nan 0.000 0.474 278 I N -1.040 119.640 120.570 0.183 0.000 2.865 278 I HA 0.656 4.826 4.170 0.000 0.000 0.302 278 I C -1.482 174.668 176.117 0.055 0.000 1.140 278 I CA -1.187 60.137 61.300 0.040 0.000 1.021 278 I CB 2.473 40.398 38.000 -0.124 0.000 1.233 278 I HN 0.501 nan 8.210 nan 0.000 0.427 279 Q N 2.956 122.800 119.800 0.074 0.000 2.282 279 Q HA 0.573 4.913 4.340 0.000 0.000 0.260 279 Q C -0.733 175.425 176.000 0.263 0.000 0.964 279 Q CA -0.791 55.138 55.803 0.210 0.000 0.880 279 Q CB 2.518 31.485 28.738 0.382 0.000 1.286 279 Q HN 0.842 nan 8.270 nan 0.000 0.445 280 T N -0.489 114.209 114.554 0.240 0.000 2.932 280 T HA 0.822 5.172 4.350 0.000 0.000 0.289 280 T C -0.408 174.418 174.700 0.210 0.000 1.039 280 T CA -0.865 61.359 62.100 0.207 0.000 1.024 280 T CB 1.667 70.520 68.868 -0.024 0.000 1.090 280 T HN 0.618 nan 8.240 nan 0.000 0.496 281 M N 0.977 120.705 119.600 0.213 0.000 2.471 281 M HA 0.413 4.893 4.480 0.000 0.000 0.284 281 M C -1.377 174.934 176.300 0.019 0.000 1.203 281 M CA -0.424 54.879 55.300 0.005 0.000 0.915 281 M CB 2.497 34.761 32.600 -0.561 0.000 1.734 281 M HN 0.844 nan 8.290 nan 0.000 0.485 282 T N 1.069 115.549 114.554 -0.123 0.000 2.902 282 T HA 0.175 4.526 4.350 0.000 0.000 0.280 282 T C 0.814 175.332 174.700 -0.304 0.000 0.992 282 T CA -0.410 61.459 62.100 -0.385 0.000 1.015 282 T CB 1.568 70.245 68.868 -0.318 0.000 1.044 282 T HN 0.814 nan 8.240 nan 0.000 0.520 283 E N 0.800 120.687 120.200 -0.521 0.000 2.110 283 E HA -0.176 4.174 4.350 0.000 0.000 0.193 283 E C 2.190 178.732 176.600 -0.096 0.000 0.988 283 E CA 1.018 57.293 56.400 -0.208 0.000 0.804 283 E CB 0.074 29.582 29.700 -0.319 0.000 0.745 283 E HN 0.449 nan 8.360 nan 0.000 0.458 284 R N 0.362 120.764 120.500 -0.162 0.000 2.075 284 R HA -0.143 4.197 4.340 0.000 0.000 0.232 284 R C 1.512 177.756 176.300 -0.094 0.000 1.126 284 R CA 1.832 57.864 56.100 -0.113 0.000 0.963 284 R CB -0.040 30.188 30.300 -0.121 0.000 0.858 284 R HN 0.185 nan 8.270 nan 0.000 0.435 285 D N 0.410 120.753 120.400 -0.096 0.000 2.178 285 D HA -0.106 4.534 4.640 0.000 0.000 0.202 285 D C 1.684 177.898 176.300 -0.143 0.000 0.974 285 D CA 1.266 55.226 54.000 -0.067 0.000 0.841 285 D CB -0.123 40.684 40.800 0.011 0.000 0.953 285 D HN 0.383 nan 8.370 nan 0.000 0.478 286 A N 1.141 123.861 122.820 -0.168 0.000 1.972 286 A HA -0.198 4.122 4.320 0.000 0.000 0.219 286 A C 2.057 179.513 177.584 -0.212 0.000 1.169 286 A CA 1.280 53.165 52.037 -0.253 0.000 0.635 286 A CB -0.306 18.602 19.000 -0.153 0.000 0.810 286 A HN 0.146 nan 8.150 nan 0.000 0.446 287 K N -0.188 120.136 120.400 -0.127 0.000 2.155 287 K HA -0.028 4.292 4.320 0.000 0.000 0.203 287 K C 1.103 177.638 176.600 -0.109 0.000 1.052 287 K CA 1.148 57.376 56.287 -0.099 0.000 0.948 287 K CB -0.029 32.432 32.500 -0.064 0.000 0.728 287 K HN 0.375 nan 8.250 nan 0.000 0.448 288 K N 0.696 121.027 120.400 -0.116 0.000 2.469 288 K HA 0.085 4.405 4.320 0.000 0.000 0.201 288 K C -0.385 176.127 176.600 -0.146 0.000 1.028 288 K CA -0.130 56.094 56.287 -0.104 0.000 1.170 288 K CB 0.171 32.625 32.500 -0.077 0.000 0.874 288 K HN -0.048 nan 8.250 nan 0.000 0.507 289 L N 1.120 122.204 121.223 -0.233 0.000 2.325 289 L HA 0.237 4.577 4.340 0.000 0.000 0.279 289 L C -1.829 174.811 176.870 -0.384 0.000 1.054 289 L CA -2.225 52.373 54.840 -0.404 0.000 0.804 289 L CB 1.337 43.027 42.059 -0.615 0.000 1.200 289 L HN -0.114 nan 8.230 nan 0.000 0.436 290 P HA -0.051 nan 4.420 nan 0.000 0.220 290 P C -0.822 176.463 177.300 -0.025 0.000 1.148 290 P CA 1.097 64.114 63.100 -0.137 0.000 0.803 290 P CB 0.027 31.730 31.700 0.004 0.000 0.782 291 F N -2.996 116.971 119.950 0.028 0.000 2.661 291 F HA 0.720 5.247 4.527 0.000 0.000 0.347 291 F C 0.252 176.073 175.800 0.036 0.000 1.086 291 F CA -1.966 56.066 58.000 0.053 0.000 1.016 291 F CB 0.245 39.276 39.000 0.052 0.000 1.368 291 F HN -0.468 nan 8.300 nan 0.000 0.505 292 S N 0.117 116.053 115.700 0.393 0.000 2.537 292 S HA 0.353 4.823 4.470 0.000 0.000 0.275 292 S C 0.954 175.685 174.600 0.217 0.000 1.272 292 S CA -0.344 57.996 58.200 0.234 0.000 1.050 292 S CB 1.085 64.561 63.200 0.459 0.000 0.961 292 S HN 0.963 nan 8.310 nan 0.000 0.496 293 V N 3.282 123.079 119.914 -0.195 0.000 3.078 293 V HA 0.076 4.196 4.120 0.000 0.000 0.265 293 V C 1.101 177.141 176.094 -0.089 0.000 1.122 293 V CA 1.187 63.385 62.300 -0.169 0.000 1.141 293 V CB -1.208 30.219 31.823 -0.659 0.000 0.735 293 V HN 0.810 nan 8.190 nan 0.000 0.498 294 F N 0.602 120.684 119.950 0.220 0.000 2.797 294 F HA 0.397 4.924 4.527 0.000 0.000 0.302 294 F C 0.833 176.865 175.800 0.386 0.000 1.130 294 F CA -1.067 57.087 58.000 0.256 0.000 1.387 294 F CB -0.513 38.622 39.000 0.225 0.000 1.107 294 F HN 0.199 nan 8.300 nan 0.000 0.577 295 D N 0.834 121.492 120.400 0.430 0.000 2.317 295 D HA 0.131 4.771 4.640 0.000 0.000 0.234 295 D C 1.202 177.516 176.300 0.024 0.000 1.112 295 D CA -0.017 54.068 54.000 0.140 0.000 0.840 295 D CB 1.075 41.858 40.800 -0.029 0.000 1.078 295 D HN 0.125 nan 8.370 nan 0.000 0.486 296 L N 2.967 124.193 121.223 0.005 0.000 2.191 296 L HA -0.146 4.194 4.340 0.000 0.000 0.212 296 L C 1.933 178.714 176.870 -0.149 0.000 1.103 296 L CA 1.461 56.267 54.840 -0.056 0.000 0.769 296 L CB -0.096 41.971 42.059 0.013 0.000 0.908 296 L HN 0.531 nan 8.230 nan 0.000 0.438 297 T N -3.530 110.919 114.554 -0.176 0.000 3.148 297 T HA 0.034 4.384 4.350 0.000 0.000 0.253 297 T C 0.664 175.273 174.700 -0.151 0.000 1.134 297 T CA -0.086 61.899 62.100 -0.193 0.000 1.051 297 T CB 0.023 68.758 68.868 -0.222 0.000 0.959 297 T HN -0.044 nan 8.240 nan 0.000 0.525 298 K N 2.092 122.354 120.400 -0.231 0.000 2.207 298 K HA 0.613 4.933 4.320 0.000 0.000 0.255 298 K C -0.352 176.060 176.600 -0.313 0.000 0.941 298 K CA -0.796 55.251 56.287 -0.399 0.000 0.825 298 K CB 2.427 34.448 32.500 -0.798 0.000 1.119 298 K HN 0.207 nan 8.250 nan 0.000 0.430 299 V N -1.431 118.326 119.914 -0.262 0.000 2.667 299 V HA 0.567 4.687 4.120 0.000 0.000 0.308 299 V C -0.815 175.400 176.094 0.202 0.000 1.048 299 V CA -1.089 61.166 62.300 -0.075 0.000 0.928 299 V CB 1.309 33.135 31.823 0.004 0.000 1.004 299 V HN 0.512 nan 8.190 nan 0.000 0.444 300 W N 3.507 124.864 121.300 0.095 0.000 2.345 300 W HA 0.482 5.142 4.660 0.000 0.000 0.308 300 W C -2.122 174.564 176.519 0.278 0.000 1.273 300 W CA -2.609 54.878 57.345 0.236 0.000 1.243 300 W CB -0.168 29.324 29.460 0.054 0.000 1.260 300 W HN 0.462 nan 8.180 nan 0.000 0.509 301 P HA -0.026 nan 4.420 nan 0.000 0.266 301 P C 0.244 177.745 177.300 0.336 0.000 1.215 301 P CA 0.458 63.776 63.100 0.364 0.000 0.763 301 P CB 0.898 32.773 31.700 0.292 0.000 0.806 302 Q N 2.213 122.138 119.800 0.208 0.000 2.369 302 Q HA -0.055 4.286 4.340 0.000 0.000 0.206 302 Q C 2.210 178.246 176.000 0.060 0.000 0.963 302 Q CA 1.267 57.151 55.803 0.135 0.000 0.894 302 Q CB -0.279 28.494 28.738 0.058 0.000 0.965 302 Q HN 0.681 nan 8.270 nan 0.000 0.475 303 G N 0.972 109.792 108.800 0.033 0.000 2.414 303 G HA2 -0.274 3.686 3.960 0.000 0.000 0.215 303 G HA3 -0.274 3.686 3.960 0.000 0.000 0.215 303 G C 1.241 176.076 174.900 -0.109 0.000 1.188 303 G CA 0.417 45.501 45.100 -0.027 0.000 0.783 303 G HN 0.281 nan 8.290 nan 0.000 0.537 304 Q N -0.769 118.908 119.800 -0.205 0.000 2.123 304 Q HA 0.057 4.397 4.340 0.000 0.000 0.199 304 Q C -0.048 175.502 176.000 -0.751 0.000 0.966 304 Q CA 0.585 56.053 55.803 -0.557 0.000 0.845 304 Q CB 0.098 28.321 28.738 -0.858 0.000 0.907 304 Q HN 0.501 nan 8.270 nan 0.000 0.439 305 F N 1.501 121.467 119.950 0.027 0.000 2.443 305 F HA 0.347 4.874 4.527 0.000 0.000 0.369 305 F C -2.189 173.643 175.800 0.054 0.000 1.090 305 F CA -2.954 55.075 58.000 0.049 0.000 1.129 305 F CB 0.987 40.049 39.000 0.103 0.000 1.367 305 F HN -0.104 nan 8.300 nan 0.000 0.465 306 P HA 0.133 nan 4.420 nan 0.000 0.274 306 P C -0.322 177.003 177.300 0.041 0.000 1.237 306 P CA -0.254 62.875 63.100 0.049 0.000 0.793 306 P CB 1.556 33.265 31.700 0.016 0.000 0.977 307 L N 1.963 123.157 121.223 -0.049 0.000 2.410 307 L HA 0.305 4.645 4.340 0.000 0.000 0.273 307 L C 1.304 178.223 176.870 0.082 0.000 1.152 307 L CA -0.010 54.787 54.840 -0.071 0.000 0.855 307 L CB 0.068 41.923 42.059 -0.340 0.000 1.129 307 L HN 0.419 nan 8.230 nan 0.000 0.463 308 R N 3.873 124.472 120.500 0.165 0.000 2.393 308 R HA 0.337 4.677 4.340 0.000 0.000 0.315 308 R C -0.412 176.028 176.300 0.234 0.000 0.952 308 R CA -0.799 55.405 56.100 0.174 0.000 0.842 308 R CB 1.251 31.605 30.300 0.090 0.000 1.163 308 R HN 0.595 nan 8.270 nan 0.000 0.450 309 R N 2.935 123.561 120.500 0.210 0.000 2.590 309 R HA 0.113 4.453 4.340 0.000 0.000 0.274 309 R C 0.037 176.335 176.300 -0.002 0.000 1.061 309 R CA 0.004 56.098 56.100 -0.011 0.000 1.081 309 R CB 0.983 31.253 30.300 -0.050 0.000 0.984 309 R HN 0.550 nan 8.270 nan 0.000 0.448 310 V N 2.125 122.032 119.914 -0.013 0.000 3.058 310 V HA 0.393 4.513 4.120 0.000 0.000 0.233 310 V C 0.814 176.995 176.094 0.145 0.000 1.255 310 V CA 0.889 63.252 62.300 0.104 0.000 1.267 310 V CB 0.757 32.708 31.823 0.213 0.000 1.049 310 V HN 0.998 nan 8.190 nan 0.000 0.486 311 G N -0.449 108.422 108.800 0.118 0.000 2.435 311 G HA2 0.473 4.433 3.960 0.000 0.000 0.296 311 G HA3 0.473 4.433 3.960 0.000 0.000 0.296 311 G C -1.849 173.030 174.900 -0.036 0.000 1.240 311 G CA -0.536 44.527 45.100 -0.061 0.000 0.872 311 G HN 0.032 nan 8.290 nan 0.000 0.480 312 K N -0.386 119.904 120.400 -0.183 0.000 2.469 312 K HA 0.596 4.916 4.320 0.000 0.000 0.254 312 K C -1.346 175.326 176.600 0.120 0.000 0.939 312 K CA -0.681 55.626 56.287 0.034 0.000 0.812 312 K CB 2.792 35.302 32.500 0.016 0.000 1.301 312 K HN 0.348 nan 8.250 nan 0.000 0.433 313 I N 2.698 123.458 120.570 0.318 0.000 2.355 313 I HA 0.271 4.441 4.170 0.000 0.000 0.288 313 I C -0.711 175.540 176.117 0.223 0.000 0.999 313 I CA -1.030 60.466 61.300 0.327 0.000 1.163 313 I CB 1.766 40.039 38.000 0.456 0.000 1.316 313 I HN 0.119 nan 8.210 nan 0.000 0.454 314 V N 7.555 127.377 119.914 -0.154 0.000 2.409 314 V HA 0.387 4.507 4.120 0.000 0.000 0.291 314 V C -0.009 175.994 176.094 -0.151 0.000 1.020 314 V CA -0.572 61.607 62.300 -0.201 0.000 0.848 314 V CB 1.834 33.311 31.823 -0.577 0.000 0.990 314 V HN 0.483 nan 8.190 nan 0.000 0.430 315 L N 5.799 127.087 121.223 0.108 0.000 2.255 315 L HA 0.470 4.810 4.340 0.000 0.000 0.289 315 L C 0.508 177.369 176.870 -0.014 0.000 1.046 315 L CA -0.275 54.627 54.840 0.103 0.000 0.816 315 L CB 0.905 43.125 42.059 0.269 0.000 1.197 315 L HN 0.865 nan 8.230 nan 0.000 0.427 316 N N 1.513 120.108 118.700 -0.175 0.000 2.194 316 N HA 0.082 4.822 4.740 0.000 0.000 0.231 316 N C -0.299 175.015 175.510 -0.328 0.000 1.247 316 N CA -0.313 52.361 53.050 -0.627 0.000 0.884 316 N CB 0.785 38.722 38.487 -0.917 0.000 1.146 316 N HN 0.576 nan 8.380 nan 0.000 0.516 317 E N 0.493 120.668 120.200 -0.043 0.000 2.287 317 E HA 0.262 4.612 4.350 0.000 0.000 0.274 317 E C -1.271 175.419 176.600 0.151 0.000 0.896 317 E CA -0.553 55.874 56.400 0.045 0.000 0.788 317 E CB 1.099 30.835 29.700 0.060 0.000 1.244 317 E HN 0.056 nan 8.360 nan 0.000 0.408 318 N N 4.177 122.932 118.700 0.092 0.000 2.525 318 N HA 0.262 5.003 4.740 0.000 0.000 0.271 318 N C -2.266 173.424 175.510 0.299 0.000 1.194 318 N CA -0.963 52.181 53.050 0.158 0.000 0.964 318 N CB 0.738 39.207 38.487 -0.031 0.000 1.126 318 N HN 0.390 nan 8.380 nan 0.000 0.452 319 P HA 0.082 nan 4.420 nan 0.000 0.271 319 P C 0.733 178.221 177.300 0.313 0.000 1.218 319 P CA -0.162 63.187 63.100 0.416 0.000 0.780 319 P CB 1.065 32.997 31.700 0.387 0.000 0.901 320 L N 1.022 122.380 121.223 0.225 0.000 2.095 320 L HA 0.004 4.344 4.340 0.000 0.000 0.204 320 L C 1.221 178.208 176.870 0.195 0.000 1.080 320 L CA 1.315 56.262 54.840 0.178 0.000 0.759 320 L CB -0.502 41.616 42.059 0.099 0.000 0.914 320 L HN 0.467 nan 8.230 nan 0.000 0.439 321 N N -1.346 117.475 118.700 0.203 0.000 2.461 321 N HA 0.135 4.875 4.740 0.000 0.000 0.284 321 N C 0.267 175.930 175.510 0.256 0.000 1.049 321 N CA -0.462 52.721 53.050 0.221 0.000 0.889 321 N CB 1.090 39.688 38.487 0.184 0.000 1.365 321 N HN -0.009 nan 8.380 nan 0.000 0.499 322 F N 3.759 123.802 119.950 0.156 0.000 2.134 322 F HA -0.077 4.450 4.527 0.000 0.000 0.299 322 F C 1.393 177.275 175.800 0.136 0.000 1.097 322 F CA 1.453 59.536 58.000 0.137 0.000 1.264 322 F CB -0.112 38.962 39.000 0.124 0.000 1.001 322 F HN 0.622 nan 8.300 nan 0.000 0.479 323 F N 0.725 120.781 119.950 0.177 0.000 2.084 323 F HA -0.082 4.445 4.527 0.000 0.000 0.296 323 F C 2.345 178.127 175.800 -0.030 0.000 1.111 323 F CA 1.752 59.792 58.000 0.067 0.000 1.224 323 F CB -0.999 38.074 39.000 0.122 0.000 0.991 323 F HN -0.029 nan 8.300 nan 0.000 0.471 324 A N -0.408 122.476 122.820 0.108 0.000 1.933 324 A HA -0.188 4.132 4.320 0.000 0.000 0.218 324 A C 2.058 179.583 177.584 -0.097 0.000 1.175 324 A CA 1.932 53.974 52.037 0.009 0.000 0.628 324 A CB -0.614 18.466 19.000 0.134 0.000 0.814 324 A HN 0.642 nan 8.150 nan 0.000 0.444 325 Q N -1.560 118.200 119.800 -0.066 0.000 2.396 325 Q HA 0.146 4.486 4.340 0.000 0.000 0.220 325 Q C 1.708 177.580 176.000 -0.214 0.000 0.900 325 Q CA 0.856 56.634 55.803 -0.042 0.000 0.925 325 Q CB 0.487 29.326 28.738 0.167 0.000 1.065 325 Q HN 0.462 nan 8.270 nan 0.000 0.535 326 V N -0.142 119.536 119.914 -0.392 0.000 2.806 326 V HA -0.055 4.065 4.120 0.000 0.000 0.239 326 V C 1.790 177.553 176.094 -0.551 0.000 1.113 326 V CA 1.143 63.119 62.300 -0.540 0.000 1.137 326 V CB 0.152 31.444 31.823 -0.885 0.000 0.865 326 V HN 0.130 nan 8.190 nan 0.000 0.482 327 E N 0.820 120.615 120.200 -0.676 0.000 2.150 327 E HA -0.176 4.174 4.350 0.000 0.000 0.193 327 E C 2.067 178.386 176.600 -0.467 0.000 0.985 327 E CA 1.353 57.456 56.400 -0.495 0.000 0.814 327 E CB -0.110 29.328 29.700 -0.436 0.000 0.752 327 E HN 0.606 nan 8.360 nan 0.000 0.466 328 Q N -0.261 119.210 119.800 -0.549 0.000 2.403 328 Q HA 0.264 4.604 4.340 0.000 0.000 0.203 328 Q C -0.191 175.617 176.000 -0.320 0.000 0.932 328 Q CA 0.133 55.680 55.803 -0.427 0.000 0.945 328 Q CB 0.598 29.085 28.738 -0.418 0.000 1.045 328 Q HN 0.189 nan 8.270 nan 0.000 0.511 329 A N 1.028 123.647 122.820 -0.336 0.000 2.425 329 A HA 0.525 4.845 4.320 0.000 0.000 0.249 329 A C -0.221 177.076 177.584 -0.478 0.000 1.084 329 A CA 0.029 51.811 52.037 -0.426 0.000 0.781 329 A CB 0.354 19.084 19.000 -0.451 0.000 1.019 329 A HN 0.263 nan 8.150 nan 0.000 0.490 330 A N 2.093 124.509 122.820 -0.673 0.000 2.335 330 A HA 0.737 5.057 4.320 0.000 0.000 0.304 330 A C -1.004 176.153 177.584 -0.711 0.000 1.118 330 A CA -0.375 51.189 52.037 -0.787 0.000 0.757 330 A CB 0.453 18.803 19.000 -1.084 0.000 1.188 330 A HN 0.654 nan 8.150 nan 0.000 0.460 331 F N 1.390 121.291 119.950 -0.082 0.000 2.495 331 F HA 0.748 5.275 4.527 0.000 0.000 0.327 331 F C 0.495 176.407 175.800 0.186 0.000 1.103 331 F CA -0.264 57.739 58.000 0.005 0.000 0.949 331 F CB 2.595 41.554 39.000 -0.069 0.000 1.142 331 F HN 0.753 nan 8.300 nan 0.000 0.457 332 A N 3.922 126.855 122.820 0.188 0.000 2.459 332 A HA 0.636 4.956 4.320 0.000 0.000 0.296 332 A C -2.487 175.019 177.584 -0.130 0.000 1.039 332 A CA -1.547 50.473 52.037 -0.028 0.000 0.698 332 A CB 1.622 20.711 19.000 0.148 0.000 1.261 332 A HN 0.470 nan 8.150 nan 0.000 0.405 333 P HA -0.179 nan 4.420 nan 0.000 0.217 333 P C 1.540 178.860 177.300 0.033 0.000 1.148 333 P CA 2.170 65.228 63.100 -0.070 0.000 0.828 333 P CB 0.209 31.832 31.700 -0.128 0.000 0.783 334 S N -2.958 112.742 115.700 -0.000 0.000 2.555 334 S HA -0.017 4.453 4.470 0.000 0.000 0.230 334 S C 0.894 175.523 174.600 0.048 0.000 0.978 334 S CA 0.611 58.834 58.200 0.038 0.000 0.934 334 S CB -1.331 61.889 63.200 0.033 0.000 0.766 334 S HN 0.026 nan 8.310 nan 0.000 0.533 335 T N 2.729 117.311 114.554 0.046 0.000 2.875 335 T HA 0.489 4.839 4.350 0.000 0.000 0.307 335 T C -0.311 174.410 174.700 0.035 0.000 1.013 335 T CA -0.082 62.037 62.100 0.031 0.000 0.970 335 T CB 0.714 69.594 68.868 0.020 0.000 0.986 335 T HN 0.365 nan 8.240 nan 0.000 0.536 336 T N 2.150 116.723 114.554 0.033 0.000 2.896 336 T HA 0.655 5.005 4.350 0.000 0.000 0.297 336 T C -0.266 174.431 174.700 -0.005 0.000 1.108 336 T CA -0.679 61.445 62.100 0.040 0.000 1.004 336 T CB 1.193 70.125 68.868 0.107 0.000 1.159 336 T HN 0.382 nan 8.240 nan 0.000 0.499 337 V N 1.633 121.524 119.914 -0.040 0.000 3.109 337 V HA 0.744 4.864 4.120 0.000 0.000 0.317 337 V C -2.578 173.490 176.094 -0.044 0.000 1.074 337 V CA -2.640 59.622 62.300 -0.063 0.000 1.033 337 V CB 0.221 31.968 31.823 -0.127 0.000 1.111 337 V HN 0.722 nan 8.190 nan 0.000 0.458 338 P HA 0.016 nan 4.420 nan 0.000 0.264 338 P C -0.771 176.519 177.300 -0.018 0.000 1.173 338 P CA 1.119 64.124 63.100 -0.158 0.000 0.761 338 P CB -0.293 31.297 31.700 -0.184 0.000 0.794 339 Y N -1.056 119.262 120.300 0.030 0.000 4.929 339 Y HA -0.259 4.291 4.550 0.000 0.000 0.253 339 Y C 0.435 176.380 175.900 0.075 0.000 0.946 339 Y CA 0.870 59.014 58.100 0.073 0.000 1.905 339 Y CB -2.331 36.166 38.460 0.062 0.000 1.400 339 Y HN 0.475 nan 8.280 nan 0.000 0.531 340 Q N 0.804 120.678 119.800 0.125 0.000 2.327 340 Q HA 0.531 4.871 4.340 0.000 0.000 0.270 340 Q C -0.296 175.856 176.000 0.254 0.000 1.022 340 Q CA -0.675 55.209 55.803 0.135 0.000 0.773 340 Q CB 2.501 31.200 28.738 -0.064 0.000 1.251 340 Q HN 0.100 nan 8.270 nan 0.000 0.457 341 E N 0.762 121.198 120.200 0.394 0.000 2.416 341 E HA 0.619 4.969 4.350 0.000 0.000 0.273 341 E C -1.197 175.631 176.600 0.380 0.000 0.935 341 E CA -0.789 55.797 56.400 0.311 0.000 0.784 341 E CB 2.113 31.932 29.700 0.197 0.000 1.301 341 E HN 0.654 nan 8.360 nan 0.000 0.454 342 A N 0.960 123.902 122.820 0.203 0.000 2.340 342 A HA 0.464 4.784 4.320 0.000 0.000 0.268 342 A C 0.545 178.147 177.584 0.029 0.000 1.100 342 A CA -0.139 51.910 52.037 0.020 0.000 0.803 342 A CB 0.258 19.212 19.000 -0.077 0.000 1.043 342 A HN 0.569 nan 8.150 nan 0.000 0.488 343 S N 0.978 116.676 115.700 -0.004 0.000 2.661 343 S HA 0.497 4.968 4.470 0.000 0.000 0.265 343 S C 0.895 175.474 174.600 -0.036 0.000 1.225 343 S CA -0.010 58.290 58.200 0.167 0.000 0.986 343 S CB 0.980 64.414 63.200 0.390 0.000 1.008 343 S HN 1.681 nan 8.310 nan 0.000 0.565 344 A N -0.017 122.670 122.820 -0.222 0.000 2.291 344 A HA 0.162 4.482 4.320 0.000 0.000 0.220 344 A C 0.658 177.938 177.584 -0.507 0.000 1.262 344 A CA -0.041 51.629 52.037 -0.612 0.000 0.867 344 A CB -1.052 17.271 19.000 -1.129 0.000 0.888 344 A HN 0.831 nan 8.150 nan 0.000 0.487 345 D N 0.801 121.134 120.400 -0.111 0.000 2.451 345 D HA 0.042 4.682 4.640 0.000 0.000 0.254 345 D C -1.565 174.725 176.300 -0.018 0.000 1.204 345 D CA -1.420 52.638 54.000 0.098 0.000 0.896 345 D CB 1.056 41.933 40.800 0.127 0.000 1.136 345 D HN 0.106 nan 8.370 nan 0.000 0.499 346 P HA -0.134 nan 4.420 nan 0.000 0.218 346 P C 1.597 178.919 177.300 0.037 0.000 1.149 346 P CA 0.371 63.493 63.100 0.037 0.000 0.817 346 P CB 0.332 32.121 31.700 0.148 0.000 0.785 347 V N -0.333 119.634 119.914 0.088 0.000 2.307 347 V HA -0.191 3.929 4.120 0.000 0.000 0.245 347 V C 2.369 178.407 176.094 -0.093 0.000 1.045 347 V CA 1.494 63.840 62.300 0.078 0.000 1.024 347 V CB -1.254 30.705 31.823 0.226 0.000 0.651 347 V HN 0.051 nan 8.190 nan 0.000 0.449 348 L N -0.004 120.990 121.223 -0.382 0.000 2.083 348 L HA -0.148 4.192 4.340 0.000 0.000 0.209 348 L C 2.473 179.173 176.870 -0.283 0.000 1.083 348 L CA 1.830 56.289 54.840 -0.634 0.000 0.752 348 L CB -0.833 40.619 42.059 -1.011 0.000 0.899 348 L HN 0.287 nan 8.230 nan 0.000 0.433 349 Q N -0.277 119.405 119.800 -0.197 0.000 2.050 349 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 349 Q C 2.278 178.248 176.000 -0.050 0.000 0.980 349 Q CA 1.855 57.583 55.803 -0.125 0.000 0.840 349 Q CB -0.555 28.100 28.738 -0.138 0.000 0.898 349 Q HN 0.675 nan 8.270 nan 0.000 0.424 350 A N 1.040 123.847 122.820 -0.023 0.000 1.969 350 A HA -0.146 4.174 4.320 0.000 0.000 0.218 350 A C 2.071 179.706 177.584 0.086 0.000 1.169 350 A CA 0.964 53.031 52.037 0.050 0.000 0.635 350 A CB -0.355 18.674 19.000 0.048 0.000 0.810 350 A HN 0.242 nan 8.150 nan 0.000 0.445 351 R N -0.925 119.590 120.500 0.026 0.000 2.189 351 R HA -0.034 4.306 4.340 0.000 0.000 0.223 351 R C 1.380 177.728 176.300 0.080 0.000 1.092 351 R CA 0.738 56.896 56.100 0.098 0.000 0.989 351 R CB -0.344 29.976 30.300 0.034 0.000 0.876 351 R HN 0.342 nan 8.270 nan 0.000 0.457 352 L N -0.479 120.762 121.223 0.030 0.000 2.275 352 L HA -0.120 4.220 4.340 0.000 0.000 0.215 352 L C 1.726 178.652 176.870 0.093 0.000 1.119 352 L CA 1.455 56.317 54.840 0.037 0.000 0.790 352 L CB -0.607 41.466 42.059 0.023 0.000 0.919 352 L HN 0.104 nan 8.230 nan 0.000 0.443 353 F N -0.751 119.202 119.950 0.004 0.000 2.222 353 F HA -0.019 4.508 4.527 0.000 0.000 0.285 353 F C 2.509 178.311 175.800 0.003 0.000 1.068 353 F CA 1.085 59.084 58.000 -0.001 0.000 1.265 353 F CB -0.459 38.530 39.000 -0.018 0.000 1.087 353 F HN -0.086 nan 8.300 nan 0.000 0.511 354 S N 0.038 115.563 115.700 -0.291 0.000 2.374 354 S HA -0.247 4.224 4.470 0.000 0.000 0.227 354 S C 1.825 176.140 174.600 -0.474 0.000 1.037 354 S CA 1.955 59.898 58.200 -0.428 0.000 1.024 354 S CB -0.738 62.348 63.200 -0.189 0.000 0.861 354 S HN 0.497 nan 8.310 nan 0.000 0.456 355 Y N 1.242 121.276 120.300 -0.444 0.000 2.184 355 Y HA 0.068 4.618 4.550 0.000 0.000 0.290 355 Y C 2.669 177.966 175.900 -1.005 0.000 1.129 355 Y CA 0.482 58.232 58.100 -0.584 0.000 1.144 355 Y CB -1.011 37.242 38.460 -0.345 0.000 0.995 355 Y HN 0.250 nan 8.280 nan 0.000 0.513 356 A N -0.167 122.371 122.820 -0.469 0.000 1.972 356 A HA -0.238 4.082 4.320 0.000 0.000 0.219 356 A C 1.838 179.166 177.584 -0.426 0.000 1.169 356 A CA 2.020 53.833 52.037 -0.373 0.000 0.635 356 A CB -0.903 18.066 19.000 -0.052 0.000 0.810 356 A HN 0.504 nan 8.150 nan 0.000 0.446 357 D N -0.248 119.838 120.400 -0.523 0.000 2.117 357 D HA -0.009 4.631 4.640 0.000 0.000 0.198 357 D C 2.014 178.120 176.300 -0.323 0.000 0.982 357 D CA 1.549 55.277 54.000 -0.454 0.000 0.828 357 D CB -0.199 40.105 40.800 -0.828 0.000 0.967 357 D HN 0.316 nan 8.370 nan 0.000 0.464 358 A N -0.579 121.993 122.820 -0.414 0.000 1.933 358 A HA -0.196 4.124 4.320 0.000 0.000 0.218 358 A C 1.953 179.425 177.584 -0.186 0.000 1.175 358 A CA 1.775 53.656 52.037 -0.262 0.000 0.628 358 A CB -1.111 17.688 19.000 -0.334 0.000 0.814 358 A HN 0.520 nan 8.150 nan 0.000 0.444 359 H N -0.960 117.890 119.070 -0.366 0.000 2.389 359 H HA -0.056 4.500 4.556 0.000 0.000 0.299 359 H C 2.416 177.439 175.328 -0.509 0.000 1.081 359 H CA 1.205 56.882 56.048 -0.620 0.000 1.345 359 H CB -0.018 28.924 29.762 -1.367 0.000 1.393 359 H HN 0.409 nan 8.280 nan 0.000 0.520 360 R N -0.085 120.280 120.500 -0.225 0.000 2.096 360 R HA -0.179 4.161 4.340 0.000 0.000 0.235 360 R C 1.968 178.315 176.300 0.078 0.000 1.127 360 R CA 1.576 57.691 56.100 0.026 0.000 0.968 360 R CB -0.249 30.101 30.300 0.084 0.000 0.861 360 R HN 0.399 nan 8.270 nan 0.000 0.440 361 Y N 0.975 121.238 120.300 -0.062 0.000 2.176 361 Y HA -0.058 4.492 4.550 0.000 0.000 0.291 361 Y C 2.458 178.344 175.900 -0.023 0.000 1.122 361 Y CA 1.173 59.254 58.100 -0.032 0.000 1.128 361 Y CB -0.115 38.319 38.460 -0.043 0.000 1.005 361 Y HN -0.201 nan 8.280 nan 0.000 0.509 362 R N -0.164 120.248 120.500 -0.146 0.000 2.073 362 R HA -0.122 4.218 4.340 0.000 0.000 0.234 362 R C 1.927 178.124 176.300 -0.172 0.000 1.134 362 R CA 2.260 58.240 56.100 -0.200 0.000 0.952 362 R CB -0.298 29.980 30.300 -0.036 0.000 0.850 362 R HN 0.452 nan 8.270 nan 0.000 0.433 363 L N -1.874 119.285 121.223 -0.107 0.000 2.388 363 L HA 0.349 4.689 4.340 0.000 0.000 0.209 363 L C 0.778 177.652 176.870 0.007 0.000 1.061 363 L CA 0.262 55.071 54.840 -0.052 0.000 0.834 363 L CB 0.666 42.703 42.059 -0.036 0.000 1.029 363 L HN 0.449 nan 8.230 nan 0.000 0.473 364 G N -0.740 108.088 108.800 0.046 0.000 2.362 364 G HA2 -0.052 3.909 3.960 0.000 0.000 0.656 364 G HA3 -0.052 3.909 3.960 0.000 0.000 0.656 364 G C -2.594 172.439 174.900 0.222 0.000 1.376 364 G CA -0.483 44.671 45.100 0.091 0.000 0.971 364 G HN -0.244 nan 8.290 nan 0.000 0.636 365 P HA -0.079 nan 4.420 nan 0.000 0.217 365 P C 0.743 178.176 177.300 0.222 0.000 1.148 365 P CA 1.076 64.308 63.100 0.221 0.000 0.828 365 P CB 0.125 31.907 31.700 0.135 0.000 0.783 366 N N -0.362 118.392 118.700 0.090 0.000 2.453 366 N HA 0.086 4.826 4.740 0.000 0.000 0.270 366 N C 0.940 176.286 175.510 -0.273 0.000 1.195 366 N CA -0.322 52.631 53.050 -0.162 0.000 0.902 366 N CB -0.403 37.975 38.487 -0.182 0.000 1.186 366 N HN 0.204 nan 8.380 nan 0.000 0.510 367 F N 0.979 120.890 119.950 -0.064 0.000 2.250 367 F HA -0.133 4.394 4.527 0.000 0.000 0.301 367 F C 2.144 177.866 175.800 -0.130 0.000 1.077 367 F CA 1.030 58.975 58.000 -0.093 0.000 1.348 367 F CB -0.641 38.328 39.000 -0.051 0.000 1.040 367 F HN 0.178 nan 8.300 nan 0.000 0.509 368 H N 0.148 118.614 119.070 -1.008 0.000 2.559 368 H HA 0.073 4.629 4.556 0.000 0.000 0.273 368 H C 1.004 176.110 175.328 -0.369 0.000 1.000 368 H CA 0.993 56.598 56.048 -0.739 0.000 1.195 368 H CB -0.823 28.366 29.762 -0.955 0.000 1.368 368 H HN 0.526 nan 8.280 nan 0.000 0.592 369 Q N 0.772 120.186 119.800 -0.643 0.000 2.360 369 Q HA 0.243 4.583 4.340 0.000 0.000 0.202 369 Q C 0.388 176.280 176.000 -0.179 0.000 0.915 369 Q CA -0.166 55.421 55.803 -0.359 0.000 0.943 369 Q CB 0.730 29.244 28.738 -0.373 0.000 1.064 369 Q HN 0.444 nan 8.270 nan 0.000 0.511 370 I N 2.461 122.941 120.570 -0.150 0.000 2.533 370 I HA -0.025 4.146 4.170 0.000 0.000 0.284 370 I C -1.553 174.533 176.117 -0.052 0.000 1.109 370 I CA -1.612 59.640 61.300 -0.079 0.000 1.412 370 I CB 0.777 38.737 38.000 -0.067 0.000 1.396 370 I HN -0.118 nan 8.210 nan 0.000 0.543 371 P HA -0.241 nan 4.420 nan 0.000 0.217 371 P C 1.631 178.949 177.300 0.031 0.000 1.158 371 P CA 1.406 64.500 63.100 -0.011 0.000 0.887 371 P CB 0.011 31.695 31.700 -0.027 0.000 0.792 372 V N -3.398 116.543 119.914 0.044 0.000 2.759 372 V HA -0.084 4.036 4.120 0.000 0.000 0.256 372 V C 1.501 177.669 176.094 0.124 0.000 1.080 372 V CA 1.886 64.264 62.300 0.131 0.000 1.101 372 V CB -1.322 30.544 31.823 0.072 0.000 0.698 372 V HN 0.049 nan 8.190 nan 0.000 0.477 373 N N -0.463 118.243 118.700 0.011 0.000 2.353 373 N HA 0.114 4.854 4.740 0.000 0.000 0.185 373 N C 0.619 176.145 175.510 0.027 0.000 1.098 373 N CA 0.590 53.618 53.050 -0.036 0.000 0.872 373 N CB -0.041 38.406 38.487 -0.068 0.000 0.970 373 N HN 0.577 nan 8.380 nan 0.000 0.467 374 C N 4.154 123.506 119.300 0.086 0.000 2.632 374 C HA 0.209 4.669 4.460 0.000 0.000 0.415 374 C C -1.809 173.311 174.990 0.217 0.000 1.332 374 C CA -1.448 57.634 59.018 0.107 0.000 1.874 374 C CB 0.146 27.936 27.740 0.083 0.000 2.596 374 C HN 0.245 nan 8.230 nan 0.000 0.590 375 P HA 0.060 nan 4.420 nan 0.000 0.249 375 P C 0.017 177.386 177.300 0.114 0.000 1.737 375 P CA 0.208 63.399 63.100 0.152 0.000 1.128 375 P CB -0.484 31.272 31.700 0.094 0.000 1.942 376 Y N 1.741 122.101 120.300 0.101 0.000 2.333 376 Y HA 0.026 4.576 4.550 0.000 0.000 0.290 376 Y C 1.901 177.816 175.900 0.025 0.000 1.144 376 Y CA 1.191 59.302 58.100 0.018 0.000 1.228 376 Y CB -1.209 37.196 38.460 -0.091 0.000 0.985 376 Y HN 0.218 nan 8.280 nan 0.000 0.542 377 A N -0.437 121.986 122.820 -0.662 0.000 2.251 377 A HA 0.282 4.602 4.320 0.000 0.000 0.209 377 A C 1.084 178.568 177.584 -0.167 0.000 1.187 377 A CA 0.605 52.376 52.037 -0.443 0.000 0.823 377 A CB -0.361 18.296 19.000 -0.571 0.000 0.846 377 A HN 0.319 nan 8.150 nan 0.000 0.486 378 S N -0.018 115.630 115.700 -0.088 0.000 2.592 378 S HA 0.284 4.754 4.470 0.000 0.000 0.151 378 S C -0.909 173.723 174.600 0.052 0.000 1.280 378 S CA -0.692 57.497 58.200 -0.018 0.000 1.187 378 S CB -0.384 62.800 63.200 -0.027 0.000 1.471 378 S HN 0.370 nan 8.310 nan 0.000 0.409 379 K N 2.021 122.464 120.400 0.072 0.000 2.504 379 K HA 0.019 4.339 4.320 0.000 0.000 0.278 379 K C 0.051 176.781 176.600 0.217 0.000 1.025 379 K CA 0.248 56.621 56.287 0.144 0.000 1.093 379 K CB 0.033 32.595 32.500 0.102 0.000 0.873 379 K HN 0.526 nan 8.250 nan 0.000 0.483 380 F N 5.545 125.596 119.950 0.168 0.000 2.571 380 F HA 0.236 4.763 4.527 0.000 0.000 0.384 380 F C -0.757 175.281 175.800 0.397 0.000 1.058 380 F CA -0.442 57.693 58.000 0.224 0.000 1.200 380 F CB 0.031 39.170 39.000 0.233 0.000 1.077 380 F HN 0.363 nan 8.300 nan 0.000 0.558 381 F N 8.041 127.754 119.950 -0.394 0.000 2.653 381 F HA 0.428 4.955 4.527 0.000 0.000 0.327 381 F C -1.865 173.571 175.800 -0.606 0.000 1.195 381 F CA -0.991 56.548 58.000 -0.768 0.000 0.993 381 F CB 0.936 39.616 39.000 -0.534 0.000 1.259 381 F HN 0.579 nan 8.300 nan 0.000 0.478 382 N N 8.121 125.991 118.700 -1.384 0.000 2.616 382 N HA 0.300 5.040 4.740 0.000 0.000 0.281 382 N C -2.535 172.528 175.510 -0.746 0.000 1.145 382 N CA -1.433 51.079 53.050 -0.897 0.000 0.919 382 N CB 2.955 41.319 38.487 -0.204 0.000 1.509 382 N HN 0.291 nan 8.380 nan 0.000 0.537 383 P HA -0.035 nan 4.420 nan 0.000 0.222 383 P C 0.657 177.908 177.300 -0.082 0.000 1.147 383 P CA 0.778 63.666 63.100 -0.352 0.000 0.790 383 P CB 0.451 31.949 31.700 -0.337 0.000 0.780 384 A N -0.795 121.977 122.820 -0.079 0.000 2.267 384 A HA 0.206 4.527 4.320 0.000 0.000 0.213 384 A C 1.274 178.913 177.584 0.090 0.000 1.192 384 A CA -0.117 51.933 52.037 0.022 0.000 0.851 384 A CB -0.472 18.527 19.000 -0.002 0.000 0.881 384 A HN 0.113 nan 8.150 nan 0.000 0.494 385 I N 2.325 122.989 120.570 0.156 0.000 2.276 385 I HA 0.278 4.448 4.170 0.000 0.000 0.290 385 I C -0.258 176.057 176.117 0.329 0.000 1.109 385 I CA -0.357 61.096 61.300 0.255 0.000 1.229 385 I CB 0.124 38.350 38.000 0.376 0.000 1.452 385 I HN 0.149 nan 8.210 nan 0.000 0.497 386 R N 3.754 124.382 120.500 0.213 0.000 2.888 386 R HA 0.544 4.884 4.340 0.000 0.000 0.264 386 R C -0.284 176.085 176.300 0.115 0.000 1.045 386 R CA -0.978 55.225 56.100 0.172 0.000 0.962 386 R CB 0.908 31.302 30.300 0.157 0.000 1.210 386 R HN 0.464 nan 8.270 nan 0.000 0.479 387 D N -0.191 120.255 120.400 0.077 0.000 3.301 387 D HA -0.185 4.455 4.640 0.000 0.000 0.217 387 D C 0.379 176.709 176.300 0.050 0.000 1.548 387 D CA 2.180 56.212 54.000 0.053 0.000 1.118 387 D CB -0.976 39.858 40.800 0.057 0.000 0.684 387 D HN 0.893 nan 8.370 nan 0.000 0.821 388 G N -1.480 107.348 108.800 0.046 0.000 2.692 388 G HA2 0.136 4.096 3.960 0.000 0.000 0.686 388 G HA3 0.136 4.096 3.960 0.000 0.000 0.686 388 G C -2.874 172.043 174.900 0.028 0.000 1.243 388 G CA -0.442 44.686 45.100 0.046 0.000 0.782 388 G HN 0.501 nan 8.290 nan 0.000 0.625 389 P HA 0.292 nan 4.420 nan 0.000 0.264 389 P C 0.800 178.103 177.300 0.005 0.000 1.183 389 P CA 0.367 63.478 63.100 0.019 0.000 0.763 389 P CB 0.265 31.980 31.700 0.025 0.000 0.807 390 M N -0.139 119.460 119.600 -0.002 0.000 2.298 390 M HA -0.208 4.272 4.480 0.000 0.000 0.196 390 M C -0.150 176.126 176.300 -0.040 0.000 0.531 390 M CA 0.512 55.803 55.300 -0.015 0.000 0.459 390 M CB -2.279 30.315 32.600 -0.010 0.000 1.279 390 M HN 0.460 nan 8.290 nan 0.000 0.915 391 N N 1.578 120.255 118.700 -0.038 0.000 2.439 391 N HA 0.355 5.095 4.740 0.000 0.000 0.243 391 N C 0.906 176.378 175.510 -0.063 0.000 1.088 391 N CA 0.208 53.220 53.050 -0.063 0.000 0.940 391 N CB 0.841 39.301 38.487 -0.045 0.000 1.180 391 N HN 0.412 nan 8.380 nan 0.000 0.505 392 V N 1.170 121.037 119.914 -0.078 0.000 3.578 392 V HA 0.190 4.310 4.120 0.000 0.000 0.290 392 V C 1.078 177.133 176.094 -0.065 0.000 1.376 392 V CA 0.076 62.339 62.300 -0.061 0.000 1.083 392 V CB -0.288 31.504 31.823 -0.051 0.000 0.911 392 V HN 0.555 nan 8.190 nan 0.000 0.433 393 N N 0.981 119.627 118.700 -0.089 0.000 2.251 393 N HA 0.356 5.096 4.740 0.000 0.000 0.217 393 N C 1.278 176.731 175.510 -0.095 0.000 1.124 393 N CA 0.577 53.579 53.050 -0.080 0.000 0.843 393 N CB 0.686 39.130 38.487 -0.072 0.000 1.024 393 N HN 0.717 nan 8.380 nan 0.000 0.501 394 G N 1.013 109.758 108.800 -0.092 0.000 2.232 394 G HA2 -0.346 3.614 3.960 0.000 0.000 0.226 394 G HA3 -0.346 3.614 3.960 0.000 0.000 0.226 394 G C 0.323 175.164 174.900 -0.099 0.000 0.996 394 G CA -0.010 45.047 45.100 -0.071 0.000 0.626 394 G HN 0.572 nan 8.290 nan 0.000 0.509 395 N N -1.047 117.520 118.700 -0.222 0.000 2.735 395 N HA -0.199 4.541 4.740 0.000 0.000 0.248 395 N C 0.700 176.117 175.510 -0.155 0.000 1.083 395 N CA 1.683 54.577 53.050 -0.260 0.000 0.703 395 N CB -1.693 36.745 38.487 -0.080 0.000 1.005 395 N HN 1.391 nan 8.380 nan 0.000 0.550 396 F N -3.050 116.933 119.950 0.055 0.000 3.069 396 F HA -0.212 4.315 4.527 0.000 0.000 0.285 396 F C 1.880 177.708 175.800 0.047 0.000 0.827 396 F CA 2.009 60.044 58.000 0.058 0.000 1.108 396 F CB -1.856 37.216 39.000 0.119 0.000 1.252 396 F HN 0.666 nan 8.300 nan 0.000 0.483 397 G N 0.434 109.320 108.800 0.143 0.000 2.611 397 G HA2 -0.365 3.595 3.960 0.000 0.000 0.301 397 G HA3 -0.365 3.595 3.960 0.000 0.000 0.301 397 G C 0.953 175.919 174.900 0.110 0.000 1.233 397 G CA 1.610 46.769 45.100 0.097 0.000 0.993 397 G HN 1.466 nan 8.290 nan 0.000 0.553 398 S N 0.875 116.629 115.700 0.090 0.000 2.631 398 S HA 0.278 4.748 4.470 0.000 0.000 0.217 398 S C 0.634 175.298 174.600 0.106 0.000 0.958 398 S CA 0.976 59.227 58.200 0.086 0.000 0.920 398 S CB 0.207 63.442 63.200 0.058 0.000 0.776 398 S HN 0.619 nan 8.310 nan 0.000 0.517 399 E N 3.462 123.746 120.200 0.140 0.000 2.608 399 E HA 0.105 4.456 4.350 0.000 0.000 0.259 399 E C -2.309 174.385 176.600 0.157 0.000 0.951 399 E CA -1.175 55.318 56.400 0.155 0.000 0.945 399 E CB -0.128 29.711 29.700 0.231 0.000 0.916 399 E HN 0.283 nan 8.360 nan 0.000 0.477 400 P HA -0.065 nan 4.420 nan 0.000 0.264 400 P C 0.582 177.979 177.300 0.160 0.000 1.179 400 P CA 0.503 63.692 63.100 0.150 0.000 0.763 400 P CB 0.356 32.059 31.700 0.005 0.000 0.806 401 T N -0.580 114.131 114.554 0.262 0.000 3.252 401 T HA 0.139 4.490 4.350 0.000 0.000 0.250 401 T C 0.270 175.114 174.700 0.241 0.000 1.123 401 T CA 0.244 62.470 62.100 0.211 0.000 1.006 401 T CB -0.986 67.989 68.868 0.178 0.000 0.992 401 T HN 0.457 nan 8.240 nan 0.000 0.547 402 Y N -1.211 119.079 120.300 -0.016 0.000 2.896 402 Y HA 0.662 5.212 4.550 0.000 0.000 0.317 402 Y C -1.346 174.474 175.900 -0.132 0.000 1.444 402 Y CA -2.773 55.285 58.100 -0.069 0.000 1.084 402 Y CB 0.641 39.082 38.460 -0.032 0.000 1.382 402 Y HN -0.137 nan 8.280 nan 0.000 0.471 403 L N 2.808 123.760 121.223 -0.451 0.000 2.358 403 L HA 0.631 4.971 4.340 0.000 0.000 0.274 403 L C 0.254 176.809 176.870 -0.526 0.000 1.136 403 L CA -0.730 53.722 54.840 -0.647 0.000 0.970 403 L CB 0.040 41.819 42.059 -0.467 0.000 1.314 403 L HN 0.775 nan 8.230 nan 0.000 0.427 404 A N 2.117 124.530 122.820 -0.677 0.000 2.488 404 A HA 0.122 4.443 4.320 0.000 0.000 0.249 404 A C 1.097 178.688 177.584 0.012 0.000 1.083 404 A CA -0.328 51.437 52.037 -0.453 0.000 0.768 404 A CB 0.200 19.014 19.000 -0.309 0.000 1.017 404 A HN 0.699 nan 8.150 nan 0.000 0.496 405 N N 1.242 119.978 118.700 0.059 0.000 2.381 405 N HA -0.128 4.612 4.740 0.000 0.000 0.182 405 N C 0.903 176.437 175.510 0.040 0.000 1.025 405 N CA 1.378 54.473 53.050 0.076 0.000 0.888 405 N CB 0.071 38.608 38.487 0.083 0.000 0.965 405 N HN 0.877 nan 8.380 nan 0.000 0.438 406 D N -0.557 119.857 120.400 0.023 0.000 2.340 406 D HA -0.021 4.619 4.640 0.000 0.000 0.220 406 D C 0.061 176.327 176.300 -0.058 0.000 1.039 406 D CA 0.355 54.351 54.000 -0.007 0.000 0.866 406 D CB 0.388 41.193 40.800 0.008 0.000 0.913 406 D HN -0.076 nan 8.370 nan 0.000 0.523 407 K N 0.280 120.620 120.400 -0.100 0.000 2.295 407 K HA 0.388 4.708 4.320 0.000 0.000 0.239 407 K C -0.645 175.700 176.600 -0.425 0.000 0.991 407 K CA -0.816 55.310 56.287 -0.268 0.000 0.845 407 K CB 2.044 34.340 32.500 -0.339 0.000 1.197 407 K HN -0.077 nan 8.250 nan 0.000 0.441 408 S N 0.819 116.182 115.700 -0.562 0.000 2.489 408 S HA 0.633 5.103 4.470 0.000 0.000 0.291 408 S C -1.468 172.690 174.600 -0.738 0.000 1.151 408 S CA -0.506 57.414 58.200 -0.466 0.000 1.082 408 S CB 0.147 63.191 63.200 -0.260 0.000 1.019 408 S HN 0.364 nan 8.310 nan 0.000 0.492 409 Y N 1.586 121.876 120.300 -0.017 0.000 2.386 409 Y HA 0.366 4.916 4.550 0.000 0.000 0.334 409 Y C 0.321 176.135 175.900 -0.143 0.000 1.002 409 Y CA -0.840 57.214 58.100 -0.077 0.000 1.068 409 Y CB 2.086 40.512 38.460 -0.057 0.000 1.203 409 Y HN 0.458 nan 8.280 nan 0.000 0.443 410 T N 3.461 117.941 114.554 -0.124 0.000 2.767 410 T HA 0.399 4.749 4.350 0.000 0.000 0.284 410 T C -1.182 173.297 174.700 -0.369 0.000 0.973 410 T CA -0.559 61.460 62.100 -0.135 0.000 0.996 410 T CB 0.048 68.869 68.868 -0.078 0.000 0.927 410 T HN 0.329 nan 8.240 nan 0.000 0.456 411 Y N 3.701 124.026 120.300 0.041 0.000 2.388 411 Y HA 0.458 5.008 4.550 0.000 0.000 0.328 411 Y C 0.727 176.633 175.900 0.009 0.000 0.963 411 Y CA -1.347 56.764 58.100 0.018 0.000 1.240 411 Y CB 0.343 38.806 38.460 0.005 0.000 1.118 411 Y HN 0.594 nan 8.280 nan 0.000 0.484 412 I N -0.076 120.545 120.570 0.085 0.000 2.834 412 I HA 0.379 4.549 4.170 0.000 0.000 0.305 412 I C 0.093 176.243 176.117 0.054 0.000 1.008 412 I CA -0.875 60.459 61.300 0.057 0.000 1.273 412 I CB 1.012 39.027 38.000 0.025 0.000 1.432 412 I HN 0.728 nan 8.210 nan 0.000 0.557 413 Q N 1.674 121.498 119.800 0.040 0.000 2.468 413 Q HA -0.217 4.123 4.340 0.000 0.000 0.289 413 Q C 0.679 176.684 176.000 0.009 0.000 1.299 413 Q CA 0.736 56.552 55.803 0.022 0.000 0.838 413 Q CB -1.334 27.399 28.738 -0.008 0.000 1.195 413 Q HN 0.809 nan 8.270 nan 0.000 0.456 414 Q N 0.005 119.821 119.800 0.027 0.000 2.226 414 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 414 Q C 0.911 176.908 176.000 -0.006 0.000 0.975 414 Q CA 1.282 57.094 55.803 0.014 0.000 0.866 414 Q CB 0.176 28.930 28.738 0.025 0.000 0.915 414 Q HN 0.511 nan 8.270 nan 0.000 0.440 415 D N 0.303 120.703 120.400 0.000 0.000 2.348 415 D HA -0.035 4.605 4.640 0.000 0.000 0.211 415 D C 0.526 176.811 176.300 -0.024 0.000 0.998 415 D CA 0.181 54.178 54.000 -0.005 0.000 0.873 415 D CB 0.056 40.864 40.800 0.012 0.000 0.925 415 D HN 0.106 nan 8.370 nan 0.000 0.524 416 R N 2.709 123.183 120.500 -0.043 0.000 2.421 416 R HA 0.099 4.439 4.340 0.000 0.000 0.305 416 R C -2.310 173.902 176.300 -0.146 0.000 1.039 416 R CA -0.989 55.047 56.100 -0.107 0.000 1.003 416 R CB 0.566 30.747 30.300 -0.199 0.000 0.959 416 R HN -0.094 nan 8.270 nan 0.000 0.427 417 P HA 0.048 nan 4.420 nan 0.000 0.275 417 P C 0.270 177.483 177.300 -0.146 0.000 1.228 417 P CA -0.122 62.867 63.100 -0.185 0.000 0.786 417 P CB 1.057 32.573 31.700 -0.307 0.000 0.927 418 I N 1.049 121.604 120.570 -0.025 0.000 2.405 418 I HA -0.073 4.098 4.170 0.000 0.000 0.236 418 I C 1.934 178.124 176.117 0.121 0.000 1.071 418 I CA 1.074 62.382 61.300 0.014 0.000 1.398 418 I CB -0.182 37.819 38.000 0.002 0.000 1.162 418 I HN 0.359 nan 8.210 nan 0.000 0.432 419 Q N -0.349 119.517 119.800 0.109 0.000 2.081 419 Q HA 0.030 4.370 4.340 0.000 0.000 0.220 419 Q C 1.549 177.556 176.000 0.011 0.000 0.775 419 Q CA -0.185 55.639 55.803 0.034 0.000 0.983 419 Q CB 0.755 29.488 28.738 -0.009 0.000 1.188 419 Q HN 0.419 nan 8.270 nan 0.000 0.458 420 Q N 0.524 120.382 119.800 0.098 0.000 2.437 420 Q HA -0.182 4.158 4.340 0.000 0.000 0.210 420 Q C 1.038 177.078 176.000 0.066 0.000 0.972 420 Q CA 1.756 57.594 55.803 0.058 0.000 0.903 420 Q CB -0.530 28.241 28.738 0.055 0.000 0.967 420 Q HN 0.732 nan 8.270 nan 0.000 0.486 421 H N -1.986 117.044 119.070 -0.068 0.000 2.539 421 H HA 0.297 4.853 4.556 0.000 0.000 0.267 421 H C 0.867 176.154 175.328 -0.067 0.000 0.982 421 H CA -0.217 55.814 56.048 -0.028 0.000 1.146 421 H CB 0.263 30.040 29.762 0.025 0.000 1.382 421 H HN 0.208 nan 8.280 nan 0.000 0.577 422 Q N 0.851 120.319 119.800 -0.554 0.000 3.071 422 Q HA 0.197 4.537 4.340 0.000 0.000 0.204 422 Q C -0.305 175.492 176.000 -0.338 0.000 1.165 422 Q CA -0.877 54.451 55.803 -0.791 0.000 0.372 422 Q CB 0.524 28.382 28.738 -1.467 0.000 5.650 422 Q HN 0.348 nan 8.270 nan 0.000 0.309 423 E N 0.606 120.558 120.200 -0.413 0.000 2.398 423 E HA 0.163 4.513 4.350 0.000 0.000 0.263 423 E C -1.176 175.016 176.600 -0.679 0.000 1.046 423 E CA -0.034 56.062 56.400 -0.507 0.000 0.908 423 E CB 0.604 29.774 29.700 -0.884 0.000 0.963 423 E HN 0.059 nan 8.360 nan 0.000 0.431 424 V N 2.888 122.445 119.914 -0.595 0.000 2.398 424 V HA 0.293 4.413 4.120 0.000 0.000 0.286 424 V C -0.791 175.005 176.094 -0.497 0.000 1.026 424 V CA -0.740 61.309 62.300 -0.418 0.000 0.868 424 V CB 0.345 32.060 31.823 -0.180 0.000 0.982 424 V HN 0.591 nan 8.190 nan 0.000 0.443 425 W N 3.436 124.725 121.300 -0.017 0.000 2.512 425 W HA 0.574 5.234 4.660 0.000 0.000 0.335 425 W C 0.362 176.863 176.519 -0.031 0.000 1.088 425 W CA -0.336 56.991 57.345 -0.031 0.000 1.236 425 W CB 0.923 30.349 29.460 -0.057 0.000 1.307 425 W HN 0.486 nan 8.180 nan 0.000 0.567 426 N N 1.161 119.996 118.700 0.225 0.000 2.369 426 N HA 0.608 5.348 4.740 0.000 0.000 0.287 426 N C -0.801 174.756 175.510 0.078 0.000 1.067 426 N CA -0.178 52.937 53.050 0.108 0.000 0.888 426 N CB 1.933 40.455 38.487 0.059 0.000 1.616 426 N HN 0.720 nan 8.380 nan 0.000 0.482 427 G N 2.395 111.219 108.800 0.040 0.000 2.345 427 G HA2 0.108 4.068 3.960 0.000 0.000 0.310 427 G HA3 0.108 4.068 3.960 0.000 0.000 0.310 427 G C -2.917 171.978 174.900 -0.008 0.000 1.476 427 G CA -0.818 44.285 45.100 0.006 0.000 0.978 427 G HN 0.519 nan 8.290 nan 0.000 0.656 428 P HA 0.622 nan 4.420 nan 0.000 0.277 428 P C 0.102 177.377 177.300 -0.041 0.000 1.276 428 P CA 0.086 63.172 63.100 -0.023 0.000 0.788 428 P CB 0.716 32.407 31.700 -0.016 0.000 1.114 429 A N 0.998 123.794 122.820 -0.040 0.000 2.410 429 A HA 0.367 4.687 4.320 0.000 0.000 0.292 429 A C 0.396 177.959 177.584 -0.035 0.000 1.232 429 A CA -0.349 51.658 52.037 -0.050 0.000 0.893 429 A CB -1.170 17.803 19.000 -0.044 0.000 1.131 429 A HN 0.436 nan 8.150 nan 0.000 0.530 430 I N 4.256 124.801 120.570 -0.040 0.000 2.354 430 I HA 0.273 4.443 4.170 0.000 0.000 0.292 430 I C -1.977 174.160 176.117 0.033 0.000 0.989 430 I CA -1.989 59.309 61.300 -0.004 0.000 1.188 430 I CB 1.847 39.835 38.000 -0.020 0.000 1.342 430 I HN 0.464 nan 8.210 nan 0.000 0.457 431 P HA 0.139 nan 4.420 nan 0.000 0.274 431 P C -1.413 175.980 177.300 0.155 0.000 1.291 431 P CA 0.086 63.231 63.100 0.076 0.000 0.815 431 P CB -0.080 31.648 31.700 0.047 0.000 0.897 432 Y N 2.348 122.652 120.300 0.006 0.000 2.376 432 Y HA 0.367 4.917 4.550 0.000 0.000 0.340 432 Y C -0.586 175.388 175.900 0.122 0.000 0.965 432 Y CA -0.972 57.147 58.100 0.032 0.000 1.078 432 Y CB 1.600 40.035 38.460 -0.041 0.000 1.193 432 Y HN 0.430 nan 8.280 nan 0.000 0.452 433 H N 6.285 125.066 119.070 -0.482 0.000 2.685 433 H HA 0.132 4.689 4.556 0.000 0.000 0.307 433 H C -1.054 173.970 175.328 -0.508 0.000 1.017 433 H CA -0.828 55.031 56.048 -0.315 0.000 1.237 433 H CB 0.554 30.210 29.762 -0.175 0.000 1.409 433 H HN 0.833 nan 8.280 nan 0.000 0.488 434 W N 6.163 127.314 121.300 -0.249 0.000 1.303 434 W HA 0.323 4.983 4.660 0.000 0.000 0.478 434 W C -0.310 176.163 176.519 -0.077 0.000 0.604 434 W CA -0.802 56.457 57.345 -0.143 0.000 2.319 434 W CB -1.395 28.174 29.460 0.181 0.000 1.443 434 W HN 0.640 nan 8.180 nan 0.000 0.249 435 A N 1.750 124.493 122.820 -0.127 0.000 2.466 435 A HA 0.240 4.560 4.320 0.000 0.000 0.238 435 A C 0.818 178.350 177.584 -0.087 0.000 1.074 435 A CA 0.035 51.934 52.037 -0.230 0.000 0.774 435 A CB 0.058 18.757 19.000 -0.502 0.000 1.015 435 A HN 0.301 nan 8.150 nan 0.000 0.498 436 T N 2.809 117.311 114.554 -0.087 0.000 2.800 436 T HA 0.135 4.485 4.350 0.000 0.000 0.283 436 T C 0.729 175.429 174.700 0.001 0.000 0.999 436 T CA 0.589 62.658 62.100 -0.051 0.000 1.176 436 T CB -0.355 68.506 68.868 -0.012 0.000 0.973 436 T HN 0.644 nan 8.240 nan 0.000 0.519 437 S N 6.069 121.788 115.700 0.032 0.000 2.552 437 S HA 0.142 4.612 4.470 0.000 0.000 0.289 437 S C -1.525 173.114 174.600 0.065 0.000 1.304 437 S CA -1.089 57.156 58.200 0.074 0.000 1.063 437 S CB 0.010 63.273 63.200 0.105 0.000 0.848 437 S HN 0.581 nan 8.310 nan 0.000 0.499 438 P HA 0.285 nan 4.420 nan 0.000 0.266 438 P C 0.708 178.027 177.300 0.033 0.000 1.195 438 P CA 0.515 63.631 63.100 0.026 0.000 0.768 438 P CB 0.130 31.841 31.700 0.018 0.000 0.838 439 G N 2.941 111.744 108.800 0.005 0.000 2.466 439 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 439 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 439 G C -0.004 174.904 174.900 0.013 0.000 1.237 439 G CA 0.410 45.512 45.100 0.003 0.000 0.954 439 G HN 0.508 nan 8.290 nan 0.000 0.580 440 D N -1.330 119.096 120.400 0.043 0.000 2.441 440 D HA 0.325 4.965 4.640 0.000 0.000 0.210 440 D C 2.278 178.662 176.300 0.139 0.000 1.102 440 D CA 1.095 55.141 54.000 0.077 0.000 0.840 440 D CB 0.819 41.640 40.800 0.036 0.000 0.990 440 D HN 0.639 nan 8.370 nan 0.000 0.505 441 V N 0.624 120.609 119.914 0.118 0.000 2.380 441 V HA -0.190 3.930 4.120 0.000 0.000 0.251 441 V C 0.805 176.946 176.094 0.078 0.000 1.063 441 V CA 2.058 64.424 62.300 0.109 0.000 1.055 441 V CB -0.181 31.712 31.823 0.117 0.000 0.657 441 V HN 0.168 nan 8.190 nan 0.000 0.455 442 D N -1.410 119.045 120.400 0.091 0.000 2.340 442 D HA 0.057 4.697 4.640 0.000 0.000 0.220 442 D C 1.249 177.431 176.300 -0.197 0.000 1.039 442 D CA 0.581 54.546 54.000 -0.059 0.000 0.866 442 D CB 0.236 40.974 40.800 -0.103 0.000 0.913 442 D HN 0.577 nan 8.370 nan 0.000 0.523 443 F N -0.503 119.402 119.950 -0.076 0.000 2.727 443 F HA 0.061 4.588 4.527 0.000 0.000 0.302 443 F C 2.117 177.870 175.800 -0.078 0.000 1.107 443 F CA -0.062 57.891 58.000 -0.077 0.000 1.277 443 F CB 0.076 39.040 39.000 -0.060 0.000 1.079 443 F HN -0.218 nan 8.300 nan 0.000 0.594 444 V N 0.252 120.214 119.914 0.079 0.000 2.282 444 V HA -0.343 3.777 4.120 0.000 0.000 0.249 444 V C 2.195 178.253 176.094 -0.060 0.000 1.057 444 V CA 2.170 64.487 62.300 0.029 0.000 1.032 444 V CB -0.573 31.274 31.823 0.039 0.000 0.645 444 V HN 0.364 nan 8.190 nan 0.000 0.447 445 Q N -0.864 118.814 119.800 -0.203 0.000 2.230 445 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 445 Q C 2.340 178.050 176.000 -0.483 0.000 0.963 445 Q CA 1.282 56.847 55.803 -0.396 0.000 0.866 445 Q CB -0.266 28.070 28.738 -0.671 0.000 0.931 445 Q HN 0.694 nan 8.270 nan 0.000 0.452 446 A N 1.201 123.808 122.820 -0.355 0.000 1.969 446 A HA -0.169 4.152 4.320 0.000 0.000 0.218 446 A C 2.011 179.622 177.584 0.046 0.000 1.169 446 A CA 1.145 53.115 52.037 -0.111 0.000 0.635 446 A CB -0.334 18.624 19.000 -0.070 0.000 0.810 446 A HN 0.181 nan 8.150 nan 0.000 0.445 447 R N -0.147 120.382 120.500 0.049 0.000 2.090 447 R HA -0.078 4.262 4.340 0.000 0.000 0.228 447 R C 1.463 177.846 176.300 0.139 0.000 1.110 447 R CA 1.414 57.590 56.100 0.126 0.000 0.973 447 R CB -0.210 30.155 30.300 0.109 0.000 0.869 447 R HN 0.523 nan 8.270 nan 0.000 0.440 448 N N 0.931 119.668 118.700 0.061 0.000 2.331 448 N HA -0.149 4.591 4.740 0.000 0.000 0.180 448 N C 1.643 177.199 175.510 0.078 0.000 1.019 448 N CA 0.500 53.586 53.050 0.060 0.000 0.881 448 N CB -0.059 38.442 38.487 0.024 0.000 0.972 448 N HN 0.253 nan 8.380 nan 0.000 0.435 449 L N 0.295 121.569 121.223 0.085 0.000 2.093 449 L HA -0.142 4.198 4.340 0.000 0.000 0.208 449 L C 2.007 178.988 176.870 0.185 0.000 1.085 449 L CA 1.458 56.379 54.840 0.134 0.000 0.755 449 L CB -0.749 41.417 42.059 0.177 0.000 0.904 449 L HN 0.069 nan 8.230 nan 0.000 0.435 450 Y N 1.410 121.757 120.300 0.078 0.000 2.224 450 Y HA -0.212 4.338 4.550 0.000 0.000 0.289 450 Y C 2.785 178.725 175.900 0.065 0.000 1.146 450 Y CA 1.649 59.800 58.100 0.083 0.000 1.182 450 Y CB -0.212 38.304 38.460 0.092 0.000 0.983 450 Y HN 0.156 nan 8.280 nan 0.000 0.524 451 R N -0.966 119.563 120.500 0.050 0.000 2.091 451 R HA -0.146 4.194 4.340 0.000 0.000 0.238 451 R C 2.141 178.413 176.300 -0.047 0.000 1.136 451 R CA 1.786 57.869 56.100 -0.029 0.000 0.959 451 R CB -0.789 29.532 30.300 0.035 0.000 0.856 451 R HN 0.232 nan 8.270 nan 0.000 0.437 452 V N 1.595 121.511 119.914 0.003 0.000 2.515 452 V HA -0.182 3.938 4.120 0.000 0.000 0.250 452 V C 2.204 178.295 176.094 -0.005 0.000 1.058 452 V CA 1.483 63.792 62.300 0.015 0.000 1.064 452 V CB -0.426 31.428 31.823 0.052 0.000 0.675 452 V HN 0.299 nan 8.190 nan 0.000 0.461 453 L N 0.558 121.765 121.223 -0.026 0.000 2.376 453 L HA -0.002 4.338 4.340 0.000 0.000 0.219 453 L C 2.494 179.300 176.870 -0.107 0.000 1.133 453 L CA 1.183 55.999 54.840 -0.039 0.000 0.816 453 L CB -0.897 41.157 42.059 -0.010 0.000 0.933 453 L HN 0.471 nan 8.230 nan 0.000 0.449 454 G N 0.046 108.741 108.800 -0.176 0.000 2.448 454 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 454 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 454 G C 1.687 176.541 174.900 -0.076 0.000 1.135 454 G CA 0.187 45.189 45.100 -0.162 0.000 0.784 454 G HN 0.313 nan 8.290 nan 0.000 0.543 455 K N 0.007 120.379 120.400 -0.046 0.000 2.155 455 K HA 0.031 4.351 4.320 0.000 0.000 0.203 455 K C 0.799 177.394 176.600 -0.008 0.000 1.052 455 K CA 0.412 56.688 56.287 -0.018 0.000 0.948 455 K CB 0.075 32.573 32.500 -0.003 0.000 0.728 455 K HN 0.363 nan 8.250 nan 0.000 0.448 456 Q N 2.308 122.105 119.800 -0.005 0.000 2.314 456 Q HA 0.156 4.497 4.340 0.000 0.000 0.257 456 Q C -2.401 173.600 176.000 0.001 0.000 0.975 456 Q CA -2.205 53.603 55.803 0.008 0.000 0.933 456 Q CB 0.825 29.577 28.738 0.024 0.000 1.195 456 Q HN 0.053 nan 8.270 nan 0.000 0.426 457 P HA -0.040 nan 4.420 nan 0.000 0.266 457 P C 0.580 177.883 177.300 0.004 0.000 1.215 457 P CA 0.749 63.849 63.100 -0.000 0.000 0.763 457 P CB 0.897 32.597 31.700 0.001 0.000 0.806 458 G N 3.385 112.186 108.800 0.001 0.000 2.199 458 G HA2 -0.277 3.683 3.960 0.000 0.000 0.254 458 G HA3 -0.277 3.683 3.960 0.000 0.000 0.254 458 G C 1.099 176.014 174.900 0.025 0.000 0.982 458 G CA -0.053 45.052 45.100 0.008 0.000 0.632 458 G HN 0.461 nan 8.290 nan 0.000 0.529 459 Q N 0.090 119.906 119.800 0.027 0.000 2.167 459 Q HA -0.001 4.339 4.340 0.000 0.000 0.202 459 Q C 2.675 178.719 176.000 0.073 0.000 0.970 459 Q CA 1.787 57.621 55.803 0.052 0.000 0.855 459 Q CB -0.210 28.556 28.738 0.047 0.000 0.911 459 Q HN 0.845 nan 8.270 nan 0.000 0.438 460 Q N -0.041 119.783 119.800 0.040 0.000 2.172 460 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 460 Q C 1.969 178.053 176.000 0.140 0.000 0.964 460 Q CA 0.846 56.705 55.803 0.093 0.000 0.855 460 Q CB 0.008 28.724 28.738 -0.036 0.000 0.918 460 Q HN 0.214 nan 8.270 nan 0.000 0.444 461 K N 0.841 121.294 120.400 0.088 0.000 2.057 461 K HA -0.133 4.187 4.320 0.000 0.000 0.206 461 K C 1.547 178.220 176.600 0.121 0.000 1.050 461 K CA 1.280 57.618 56.287 0.085 0.000 0.935 461 K CB 0.165 32.688 32.500 0.039 0.000 0.715 461 K HN 0.058 nan 8.250 nan 0.000 0.439 462 N N 1.085 119.855 118.700 0.117 0.000 2.166 462 N HA -0.160 4.580 4.740 0.000 0.000 0.186 462 N C 1.593 177.232 175.510 0.215 0.000 1.019 462 N CA 0.861 54.012 53.050 0.169 0.000 0.856 462 N CB -0.250 38.315 38.487 0.128 0.000 0.993 462 N HN 0.148 nan 8.380 nan 0.000 0.426 463 L N 0.686 122.020 121.223 0.185 0.000 2.017 463 L HA -0.047 4.293 4.340 0.000 0.000 0.208 463 L C 1.933 178.871 176.870 0.113 0.000 1.073 463 L CA 1.756 56.709 54.840 0.188 0.000 0.745 463 L CB -0.857 41.330 42.059 0.212 0.000 0.894 463 L HN 0.142 nan 8.230 nan 0.000 0.432 464 A N -1.731 121.141 122.820 0.088 0.000 1.969 464 A HA -0.239 4.081 4.320 0.000 0.000 0.218 464 A C 2.236 179.841 177.584 0.035 0.000 1.169 464 A CA 1.600 53.634 52.037 -0.005 0.000 0.635 464 A CB -1.057 17.956 19.000 0.021 0.000 0.810 464 A HN 0.664 nan 8.150 nan 0.000 0.445 465 Y N 1.435 121.742 120.300 0.012 0.000 2.184 465 Y HA -0.166 4.384 4.550 0.000 0.000 0.290 465 Y C 2.119 178.059 175.900 0.067 0.000 1.129 465 Y CA 1.931 60.048 58.100 0.029 0.000 1.144 465 Y CB -0.289 38.196 38.460 0.041 0.000 0.995 465 Y HN 0.318 nan 8.280 nan 0.000 0.513 466 N N 0.608 119.365 118.700 0.096 0.000 2.149 466 N HA -0.193 4.548 4.740 0.000 0.000 0.188 466 N C 1.889 177.512 175.510 0.188 0.000 1.019 466 N CA 2.069 55.216 53.050 0.161 0.000 0.857 466 N CB -0.415 38.279 38.487 0.345 0.000 0.997 466 N HN 0.477 nan 8.380 nan 0.000 0.426 467 I N 0.009 120.562 120.570 -0.030 0.000 2.333 467 I HA -0.054 4.116 4.170 0.000 0.000 0.246 467 I C 2.439 178.416 176.117 -0.233 0.000 1.106 467 I CA 0.943 62.027 61.300 -0.359 0.000 1.411 467 I CB -0.619 37.002 38.000 -0.633 0.000 1.082 467 I HN 0.092 nan 8.210 nan 0.000 0.420 468 G N 2.312 110.993 108.800 -0.198 0.000 2.440 468 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 468 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 468 G C 1.672 176.489 174.900 -0.137 0.000 1.154 468 G CA 1.096 46.104 45.100 -0.152 0.000 0.767 468 G HN 0.582 nan 8.290 nan 0.000 0.552 469 I N -3.123 117.316 120.570 -0.217 0.000 2.676 469 I HA 0.026 4.196 4.170 0.000 0.000 0.259 469 I C 2.342 178.435 176.117 -0.041 0.000 1.194 469 I CA 1.346 62.535 61.300 -0.185 0.000 1.473 469 I CB -0.416 37.376 38.000 -0.346 0.000 1.096 469 I HN 0.071 nan 8.210 nan 0.000 0.443 470 H N 1.860 120.908 119.070 -0.037 0.000 2.355 470 H HA 0.060 4.616 4.556 0.000 0.000 0.303 470 H C 2.209 177.582 175.328 0.076 0.000 1.061 470 H CA 1.720 57.810 56.048 0.069 0.000 1.368 470 H CB 0.208 30.125 29.762 0.258 0.000 1.412 470 H HN 0.261 nan 8.280 nan 0.000 0.523 471 V N 1.889 121.898 119.914 0.159 0.000 2.626 471 V HA -0.154 3.966 4.120 0.000 0.000 0.252 471 V C 2.571 178.629 176.094 -0.061 0.000 1.067 471 V CA 1.697 63.938 62.300 -0.099 0.000 1.081 471 V CB -0.415 31.159 31.823 -0.415 0.000 0.686 471 V HN 0.448 nan 8.190 nan 0.000 0.468 472 E N 1.197 121.377 120.200 -0.034 0.000 2.171 472 E HA -0.238 4.112 4.350 0.000 0.000 0.197 472 E C 2.166 178.753 176.600 -0.022 0.000 0.997 472 E CA 1.698 58.083 56.400 -0.026 0.000 0.810 472 E CB -0.300 29.379 29.700 -0.034 0.000 0.738 472 E HN 0.601 nan 8.360 nan 0.000 0.467 473 G N 0.378 109.162 108.800 -0.026 0.000 2.650 473 G HA2 0.138 4.098 3.960 0.000 0.000 0.214 473 G HA3 0.138 4.098 3.960 0.000 0.000 0.214 473 G C 0.640 175.544 174.900 0.008 0.000 1.136 473 G CA 0.447 45.532 45.100 -0.025 0.000 0.789 473 G HN 0.398 nan 8.290 nan 0.000 0.536 474 A N -0.409 122.429 122.820 0.031 0.000 2.287 474 A HA 0.505 4.825 4.320 0.000 0.000 0.273 474 A C 0.927 178.517 177.584 0.010 0.000 1.091 474 A CA 0.017 52.085 52.037 0.051 0.000 0.817 474 A CB 0.062 19.107 19.000 0.075 0.000 1.069 474 A HN 0.871 nan 8.150 nan 0.000 0.492 475 C N 0.130 119.442 119.300 0.019 0.000 2.604 475 C HA 0.512 4.972 4.460 0.000 0.000 0.396 475 C C -1.168 173.812 174.990 -0.016 0.000 1.282 475 C CA -1.147 57.875 59.018 0.006 0.000 2.292 475 C CB 0.342 28.092 27.740 0.017 0.000 2.633 475 C HN 0.665 nan 8.230 nan 0.000 0.620 476 P HA -0.156 nan 4.420 nan 0.000 0.216 476 P C 1.674 178.949 177.300 -0.042 0.000 1.153 476 P CA 1.948 65.036 63.100 -0.021 0.000 0.858 476 P CB -0.051 31.651 31.700 0.003 0.000 0.789 477 Q N -0.926 118.859 119.800 -0.026 0.000 2.050 477 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 477 Q C 2.194 178.163 176.000 -0.052 0.000 0.980 477 Q CA 1.242 57.029 55.803 -0.027 0.000 0.840 477 Q CB -0.587 28.147 28.738 -0.006 0.000 0.898 477 Q HN 0.307 nan 8.270 nan 0.000 0.424 478 I N 0.609 121.154 120.570 -0.042 0.000 2.353 478 I HA -0.253 3.917 4.170 0.000 0.000 0.248 478 I C 2.331 178.348 176.117 -0.167 0.000 1.119 478 I CA 0.976 62.254 61.300 -0.037 0.000 1.417 478 I CB -0.241 37.788 38.000 0.049 0.000 1.078 478 I HN 0.267 nan 8.210 nan 0.000 0.421 479 Q N 0.212 119.862 119.800 -0.250 0.000 2.096 479 Q HA -0.300 4.040 4.340 0.000 0.000 0.204 479 Q C 2.216 177.670 176.000 -0.909 0.000 0.982 479 Q CA 1.633 57.104 55.803 -0.553 0.000 0.850 479 Q CB -0.163 28.327 28.738 -0.413 0.000 0.901 479 Q HN 0.359 nan 8.270 nan 0.000 0.422 480 Q N 0.942 120.470 119.800 -0.454 0.000 2.119 480 Q HA -0.112 4.228 4.340 0.000 0.000 0.201 480 Q C 1.699 177.588 176.000 -0.185 0.000 0.972 480 Q CA 1.520 57.175 55.803 -0.246 0.000 0.847 480 Q CB 0.059 28.776 28.738 -0.035 0.000 0.903 480 Q HN 0.225 nan 8.270 nan 0.000 0.433 481 R N -1.001 119.401 120.500 -0.163 0.000 2.115 481 R HA -0.053 4.287 4.340 0.000 0.000 0.230 481 R C 2.173 178.410 176.300 -0.105 0.000 1.111 481 R CA 1.246 57.292 56.100 -0.090 0.000 0.976 481 R CB -0.229 30.044 30.300 -0.045 0.000 0.870 481 R HN 0.142 nan 8.270 nan 0.000 0.445 482 V N 0.180 119.953 119.914 -0.234 0.000 2.358 482 V HA -0.232 3.888 4.120 0.000 0.000 0.246 482 V C 1.832 177.924 176.094 -0.003 0.000 1.047 482 V CA 1.550 63.715 62.300 -0.225 0.000 1.035 482 V CB -0.555 30.921 31.823 -0.577 0.000 0.658 482 V HN 0.198 nan 8.190 nan 0.000 0.452 483 Y N 0.805 121.098 120.300 -0.012 0.000 2.181 483 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 483 Y C 2.512 178.431 175.900 0.031 0.000 1.146 483 Y CA 0.823 58.932 58.100 0.015 0.000 1.164 483 Y CB -1.067 37.374 38.460 -0.031 0.000 0.982 483 Y HN 0.335 nan 8.280 nan 0.000 0.515 484 D N -0.417 120.065 120.400 0.136 0.000 2.144 484 D HA -0.188 4.452 4.640 0.000 0.000 0.199 484 D C 2.280 178.590 176.300 0.016 0.000 0.984 484 D CA 1.146 55.179 54.000 0.056 0.000 0.834 484 D CB -0.463 40.344 40.800 0.013 0.000 0.955 484 D HN 0.352 nan 8.370 nan 0.000 0.465 485 M N -0.535 119.065 119.600 -0.001 0.000 2.099 485 M HA -0.153 4.327 4.480 0.000 0.000 0.262 485 M C 1.597 177.861 176.300 -0.059 0.000 1.067 485 M CA 1.358 56.630 55.300 -0.048 0.000 1.124 485 M CB -0.033 32.489 32.600 -0.130 0.000 1.353 485 M HN -0.146 nan 8.290 nan 0.000 0.410 486 F N 0.272 120.255 119.950 0.055 0.000 2.407 486 F HA 0.065 4.592 4.527 0.000 0.000 0.299 486 F C 2.497 178.286 175.800 -0.019 0.000 1.097 486 F CA 1.007 59.019 58.000 0.020 0.000 1.422 486 F CB -0.838 38.144 39.000 -0.030 0.000 1.067 486 F HN 0.223 nan 8.300 nan 0.000 0.539 487 A N -0.082 122.823 122.820 0.142 0.000 1.972 487 A HA -0.195 4.125 4.320 0.000 0.000 0.219 487 A C 2.283 179.868 177.584 0.002 0.000 1.169 487 A CA 1.427 53.495 52.037 0.052 0.000 0.635 487 A CB -0.703 18.316 19.000 0.031 0.000 0.810 487 A HN 0.323 nan 8.150 nan 0.000 0.446 488 R N -0.632 119.848 120.500 -0.034 0.000 2.235 488 R HA -0.001 4.339 4.340 0.000 0.000 0.213 488 R C 1.504 177.790 176.300 -0.023 0.000 1.059 488 R CA 1.125 57.145 56.100 -0.133 0.000 0.997 488 R CB -0.129 29.946 30.300 -0.376 0.000 0.884 488 R HN 0.359 nan 8.270 nan 0.000 0.462 489 V N -0.531 119.435 119.914 0.086 0.000 2.374 489 V HA 0.007 4.127 4.120 0.000 0.000 0.241 489 V C 0.177 176.286 176.094 0.026 0.000 1.034 489 V CA 1.355 63.721 62.300 0.111 0.000 1.037 489 V CB -0.021 31.879 31.823 0.129 0.000 0.682 489 V HN 0.322 nan 8.190 nan 0.000 0.463 490 D N -2.332 118.050 120.400 -0.030 0.000 2.871 490 D HA 0.198 4.838 4.640 0.000 0.000 0.209 490 D C 0.361 176.638 176.300 -0.039 0.000 1.292 490 D CA -0.419 53.554 54.000 -0.046 0.000 0.869 490 D CB 1.383 42.089 40.800 -0.158 0.000 1.663 490 D HN -0.072 nan 8.370 nan 0.000 0.557 491 K N 1.901 122.298 120.400 -0.005 0.000 2.211 491 K HA 0.033 4.354 4.320 0.000 0.000 0.203 491 K C 1.786 178.379 176.600 -0.012 0.000 1.050 491 K CA 1.447 57.730 56.287 -0.006 0.000 0.945 491 K CB -0.045 32.454 32.500 -0.003 0.000 0.732 491 K HN 0.480 nan 8.250 nan 0.000 0.451 492 G N 1.247 110.053 108.800 0.010 0.000 2.408 492 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 492 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 492 G C 1.390 176.292 174.900 0.003 0.000 1.150 492 G CA 0.344 45.459 45.100 0.026 0.000 0.776 492 G HN 0.241 nan 8.290 nan 0.000 0.542 493 L N 0.618 121.808 121.223 -0.054 0.000 2.017 493 L HA -0.098 4.242 4.340 0.000 0.000 0.208 493 L C 3.003 179.798 176.870 -0.124 0.000 1.073 493 L CA 1.838 56.594 54.840 -0.140 0.000 0.745 493 L CB -0.425 41.390 42.059 -0.407 0.000 0.894 493 L HN 0.380 nan 8.230 nan 0.000 0.432 494 S N -0.525 115.131 115.700 -0.072 0.000 2.370 494 S HA -0.206 4.264 4.470 0.000 0.000 0.226 494 S C 1.761 176.277 174.600 -0.141 0.000 1.033 494 S CA 1.515 59.691 58.200 -0.041 0.000 1.011 494 S CB -0.128 63.088 63.200 0.026 0.000 0.852 494 S HN 0.445 nan 8.310 nan 0.000 0.457 495 E N 1.263 121.390 120.200 -0.122 0.000 2.106 495 E HA 0.038 4.388 4.350 0.000 0.000 0.192 495 E C 2.378 178.890 176.600 -0.145 0.000 0.984 495 E CA 1.116 57.426 56.400 -0.150 0.000 0.806 495 E CB -0.887 28.759 29.700 -0.088 0.000 0.750 495 E HN 0.600 nan 8.360 nan 0.000 0.458 496 A N 1.064 123.827 122.820 -0.095 0.000 1.930 496 A HA -0.113 4.207 4.320 0.000 0.000 0.217 496 A C 2.333 179.863 177.584 -0.090 0.000 1.175 496 A CA 0.982 52.980 52.037 -0.064 0.000 0.627 496 A CB -0.588 18.403 19.000 -0.015 0.000 0.815 496 A HN 0.173 nan 8.150 nan 0.000 0.443 497 I N -0.776 119.707 120.570 -0.145 0.000 2.252 497 I HA -0.223 3.947 4.170 0.000 0.000 0.245 497 I C 2.496 178.520 176.117 -0.154 0.000 1.102 497 I CA 1.711 62.916 61.300 -0.158 0.000 1.385 497 I CB -0.201 37.668 38.000 -0.218 0.000 1.064 497 I HN 0.318 nan 8.210 nan 0.000 0.414 498 K N 1.323 121.516 120.400 -0.344 0.000 2.147 498 K HA -0.189 4.131 4.320 0.000 0.000 0.205 498 K C 2.079 178.530 176.600 -0.249 0.000 1.049 498 K CA 1.376 57.326 56.287 -0.562 0.000 0.936 498 K CB 0.095 32.054 32.500 -0.901 0.000 0.722 498 K HN 0.183 nan 8.250 nan 0.000 0.446 499 K N -0.122 120.180 120.400 -0.163 0.000 2.057 499 K HA -0.076 4.244 4.320 0.000 0.000 0.206 499 K C 1.901 178.480 176.600 -0.035 0.000 1.050 499 K CA 1.251 57.488 56.287 -0.083 0.000 0.935 499 K CB 0.116 32.584 32.500 -0.054 0.000 0.715 499 K HN -0.019 nan 8.250 nan 0.000 0.439 500 V N 1.066 120.967 119.914 -0.022 0.000 2.453 500 V HA -0.174 3.946 4.120 0.000 0.000 0.247 500 V C 2.219 178.305 176.094 -0.014 0.000 1.048 500 V CA 1.872 64.180 62.300 0.014 0.000 1.049 500 V CB -0.442 31.396 31.823 0.025 0.000 0.672 500 V HN 0.319 nan 8.190 nan 0.000 0.457 501 A N -0.667 122.141 122.820 -0.020 0.000 2.015 501 A HA -0.083 4.237 4.320 0.000 0.000 0.219 501 A C 1.400 178.994 177.584 0.017 0.000 1.163 501 A CA 0.921 52.964 52.037 0.010 0.000 0.646 501 A CB -0.190 18.868 19.000 0.098 0.000 0.806 501 A HN 0.544 nan 8.150 nan 0.000 0.448 502 E N 0.000 120.201 120.200 0.002 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 0.001 0.000 0.976 502 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 502 E HN 0.000 nan 8.360 nan 0.000 0.440