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 3c2w_1_F DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT XXTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXDCCGVLAI RFHRQESGWI FWFRHEEVXX XXXXXXXXXX LTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL NHAL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.717 174.700 0.028 0.000 1.109 5 T CA 0.000 62.115 62.100 0.025 0.000 1.349 5 T CB 0.000 68.883 68.868 0.024 0.000 0.612 6 P HA 0.634 nan 4.420 nan 0.000 0.276 6 P C -0.748 176.572 177.300 0.033 0.000 1.261 6 P CA -0.833 62.285 63.100 0.030 0.000 0.800 6 P CB 0.444 32.160 31.700 0.027 0.000 1.066 7 V N -1.639 118.298 119.914 0.038 0.000 2.347 7 V HA 0.663 4.783 4.120 -0.000 0.000 0.280 7 V C 0.219 176.338 176.094 0.042 0.000 1.021 7 V CA -0.332 61.993 62.300 0.042 0.000 0.847 7 V CB 0.407 32.260 31.823 0.049 0.000 0.990 7 V HN 0.854 nan 8.190 nan 0.000 0.444 8 T N 2.551 117.128 114.554 0.039 0.000 2.870 8 T HA 0.485 4.835 4.350 -0.000 0.000 0.277 8 T C 1.077 175.802 174.700 0.042 0.000 1.000 8 T CA -0.825 61.297 62.100 0.038 0.000 0.982 8 T CB 1.347 70.233 68.868 0.030 0.000 1.249 8 T HN 0.339 nan 8.240 nan 0.000 0.589 9 L N 0.468 121.716 121.223 0.040 0.000 2.051 9 L HA -0.113 4.227 4.340 -0.000 0.000 0.214 9 L C 3.161 180.052 176.870 0.036 0.000 1.076 9 L CA 2.575 57.441 54.840 0.043 0.000 0.758 9 L CB -2.040 40.042 42.059 0.038 0.000 0.890 9 L HN 0.954 nan 8.230 nan 0.000 0.433 10 A N 0.223 123.061 122.820 0.030 0.000 1.969 10 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 10 A C 1.938 179.538 177.584 0.026 0.000 1.169 10 A CA 1.625 53.678 52.037 0.026 0.000 0.635 10 A CB -0.342 18.671 19.000 0.022 0.000 0.810 10 A HN 0.565 nan 8.150 nan 0.000 0.445 11 N N -0.069 118.649 118.700 0.030 0.000 2.409 11 N HA -0.092 4.648 4.740 -0.000 0.000 0.174 11 N C 1.790 177.321 175.510 0.034 0.000 1.037 11 N CA 1.298 54.367 53.050 0.031 0.000 0.898 11 N CB -1.123 37.384 38.487 0.033 0.000 1.010 11 N HN 0.731 nan 8.380 nan 0.000 0.445 12 C N 2.190 121.513 119.300 0.039 0.000 2.400 12 C HA -0.035 4.425 4.460 -0.000 0.000 0.291 12 C C 2.107 177.116 174.990 0.032 0.000 1.372 12 C CA 0.529 59.573 59.018 0.044 0.000 1.800 12 C CB -1.258 26.515 27.740 0.055 0.000 1.869 12 C HN 0.484 nan 8.230 nan 0.000 0.533 13 E N 0.023 120.237 120.200 0.023 0.000 2.358 13 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 13 E C 0.966 177.571 176.600 0.009 0.000 1.010 13 E CA 1.170 57.575 56.400 0.008 0.000 0.856 13 E CB -0.259 29.444 29.700 0.004 0.000 0.795 13 E HN 0.562 nan 8.360 nan 0.000 0.504 14 D N 0.845 121.259 120.400 0.023 0.000 2.503 14 D HA 0.015 4.655 4.640 -0.000 0.000 0.218 14 D C -0.469 175.864 176.300 0.054 0.000 1.183 14 D CA -0.108 53.911 54.000 0.032 0.000 0.827 14 D CB 0.285 41.103 40.800 0.030 0.000 1.034 14 D HN 0.222 nan 8.370 nan 0.000 0.510 15 E N 2.224 122.457 120.200 0.054 0.000 2.585 15 E HA -0.017 4.333 4.350 -0.000 0.000 0.252 15 E C -2.068 174.595 176.600 0.104 0.000 0.981 15 E CA -1.067 55.374 56.400 0.069 0.000 0.943 15 E CB 0.809 30.546 29.700 0.063 0.000 0.923 15 E HN -0.145 nan 8.360 nan 0.000 0.486 16 P HA 0.038 nan 4.420 nan 0.000 0.231 16 P C -0.104 177.253 177.300 0.096 0.000 1.756 16 P CA 0.008 63.220 63.100 0.187 0.000 0.990 16 P CB -0.476 31.261 31.700 0.063 0.000 1.973 17 I N -2.636 118.035 120.570 0.169 0.000 3.456 17 I HA -0.106 4.063 4.170 -0.000 0.000 0.291 17 I C 1.692 177.875 176.117 0.110 0.000 1.307 17 I CA 0.891 62.253 61.300 0.104 0.000 1.333 17 I CB -1.414 36.642 38.000 0.094 0.000 1.032 17 I HN 0.239 nan 8.210 nan 0.000 0.506 18 H N 1.089 120.176 119.070 0.028 0.000 2.562 18 H HA 0.278 4.833 4.556 -0.000 0.000 0.267 18 H C 1.129 176.489 175.328 0.053 0.000 0.959 18 H CA 1.094 57.156 56.048 0.024 0.000 1.204 18 H CB -0.362 29.418 29.762 0.030 0.000 1.430 18 H HN 0.417 nan 8.280 nan 0.000 0.545 19 V N -1.601 118.057 119.914 -0.427 0.000 2.915 19 V HA 0.300 4.420 4.120 -0.000 0.000 0.364 19 V C -1.974 174.062 176.094 -0.096 0.000 1.354 19 V CA -1.194 60.957 62.300 -0.248 0.000 1.213 19 V CB 0.962 32.569 31.823 -0.360 0.000 1.268 19 V HN 0.004 nan 8.190 nan 0.000 0.557 20 P HA 0.037 nan 4.420 nan 0.000 0.217 20 P C 1.395 178.703 177.300 0.014 0.000 1.148 20 P CA 2.298 65.396 63.100 -0.004 0.000 0.828 20 P CB -0.135 31.578 31.700 0.022 0.000 0.783 21 G N -1.253 107.563 108.800 0.028 0.000 2.256 21 G HA2 0.033 3.993 3.960 -0.000 0.000 0.272 21 G HA3 0.033 3.993 3.960 -0.000 0.000 0.272 21 G C 0.128 175.004 174.900 -0.039 0.000 1.076 21 G CA -0.017 45.107 45.100 0.040 0.000 0.882 21 G HN 0.746 nan 8.290 nan 0.000 0.497 22 A N -0.951 121.849 122.820 -0.035 0.000 2.601 22 A HA 0.926 5.246 4.320 -0.000 0.000 0.291 22 A C -0.368 177.212 177.584 -0.007 0.000 1.075 22 A CA -0.225 51.782 52.037 -0.051 0.000 0.671 22 A CB 1.206 20.198 19.000 -0.013 0.000 1.277 22 A HN 1.886 nan 8.150 nan 0.000 0.417 23 I N -2.129 118.448 120.570 0.011 0.000 3.145 23 I HA 0.678 4.848 4.170 -0.000 0.000 0.313 23 I C -0.562 175.631 176.117 0.127 0.000 1.122 23 I CA -1.008 60.311 61.300 0.031 0.000 0.987 23 I CB 1.918 39.902 38.000 -0.027 0.000 1.236 23 I HN 0.683 nan 8.210 nan 0.000 0.453 24 Q N 2.586 122.440 119.800 0.090 0.000 2.314 24 Q HA 0.264 4.604 4.340 -0.000 0.000 0.258 24 Q C -1.867 174.200 176.000 0.113 0.000 0.954 24 Q CA -1.309 54.594 55.803 0.166 0.000 0.890 24 Q CB 1.183 29.987 28.738 0.110 0.000 1.210 24 Q HN 0.454 nan 8.270 nan 0.000 0.410 25 P HA -0.252 nan 4.420 nan 0.000 0.216 25 P C 0.442 177.818 177.300 0.127 0.000 1.154 25 P CA 1.661 64.865 63.100 0.174 0.000 0.865 25 P CB -0.030 31.802 31.700 0.220 0.000 0.789 26 H N -2.448 116.680 119.070 0.097 0.000 2.541 26 H HA 0.127 4.683 4.556 -0.000 0.000 0.289 26 H C 1.069 176.467 175.328 0.117 0.000 1.054 26 H CA 0.544 56.650 56.048 0.096 0.000 1.250 26 H CB -0.661 29.148 29.762 0.078 0.000 1.369 26 H HN 0.110 nan 8.280 nan 0.000 0.578 27 G N -0.897 107.782 108.800 -0.202 0.000 3.015 27 G HA2 0.729 4.689 3.960 -0.000 0.000 0.281 27 G HA3 0.729 4.689 3.960 -0.000 0.000 0.281 27 G C -1.500 173.377 174.900 -0.038 0.000 1.386 27 G CA -0.794 44.252 45.100 -0.090 0.000 0.959 27 G HN 0.539 nan 8.290 nan 0.000 0.522 28 A N -1.043 121.792 122.820 0.026 0.000 2.454 28 A HA 0.800 5.120 4.320 -0.000 0.000 0.302 28 A C -1.567 176.095 177.584 0.130 0.000 1.079 28 A CA -0.529 51.548 52.037 0.067 0.000 0.731 28 A CB 2.015 21.038 19.000 0.038 0.000 1.299 28 A HN 1.164 nan 8.150 nan 0.000 0.413 29 L N 1.385 122.652 121.223 0.074 0.000 2.354 29 L HA 0.836 5.176 4.340 -0.000 0.000 0.269 29 L C -1.281 175.638 176.870 0.082 0.000 1.005 29 L CA -0.431 54.438 54.840 0.048 0.000 0.819 29 L CB 2.374 44.418 42.059 -0.024 0.000 1.311 29 L HN 0.469 nan 8.230 nan 0.000 0.423 30 V N 2.082 122.046 119.914 0.084 0.000 2.498 30 V HA 0.307 4.426 4.120 -0.000 0.000 0.283 30 V C -0.310 175.791 176.094 0.012 0.000 1.015 30 V CA -0.474 61.867 62.300 0.069 0.000 0.867 30 V CB 1.539 33.451 31.823 0.147 0.000 1.025 30 V HN 0.841 nan 8.190 nan 0.000 0.441 31 T N 3.616 118.131 114.554 -0.066 0.000 2.794 31 T HA 0.745 5.095 4.350 -0.000 0.000 0.296 31 T C -0.479 174.146 174.700 -0.125 0.000 0.949 31 T CA -0.186 61.806 62.100 -0.179 0.000 1.101 31 T CB 1.170 69.737 68.868 -0.500 0.000 0.905 31 T HN 0.194 nan 8.240 nan 0.000 0.516 32 L N 2.207 123.354 121.223 -0.127 0.000 2.211 32 L HA 0.771 5.111 4.340 -0.000 0.000 0.259 32 L C 0.564 177.429 176.870 -0.008 0.000 1.031 32 L CA -1.041 53.768 54.840 -0.053 0.000 0.877 32 L CB 1.849 43.852 42.059 -0.092 0.000 1.457 32 L HN 0.954 nan 8.230 nan 0.000 0.466 33 R N -0.639 119.868 120.500 0.012 0.000 3.018 33 R HA 0.830 5.170 4.340 -0.000 0.000 0.243 33 R C 0.601 176.916 176.300 0.025 0.000 1.315 33 R CA -0.132 56.003 56.100 0.060 0.000 1.039 33 R CB 0.622 30.954 30.300 0.054 0.000 1.315 33 R HN 0.478 nan 8.270 nan 0.000 0.492 34 A N 0.782 123.636 122.820 0.058 0.000 1.896 34 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 34 A C 1.377 178.910 177.584 -0.086 0.000 1.206 34 A CA 2.442 54.491 52.037 0.020 0.000 0.647 34 A CB -1.414 17.605 19.000 0.032 0.000 0.828 34 A HN 0.904 nan 8.150 nan 0.000 0.455 35 D N -2.887 117.485 120.400 -0.047 0.000 2.349 35 D HA 0.362 5.002 4.640 -0.000 0.000 0.224 35 D C 1.031 177.349 176.300 0.030 0.000 1.029 35 D CA 0.881 54.864 54.000 -0.028 0.000 0.879 35 D CB -0.267 40.523 40.800 -0.017 0.000 0.906 35 D HN 0.957 nan 8.370 nan 0.000 0.528 36 G N 0.262 109.031 108.800 -0.051 0.000 2.130 36 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 36 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 36 G C -0.046 174.908 174.900 0.090 0.000 0.999 36 G CA 0.055 45.109 45.100 -0.077 0.000 0.686 36 G HN 0.439 nan 8.290 nan 0.000 0.515 37 M N 1.474 121.148 119.600 0.122 0.000 2.188 37 M HA 0.599 5.079 4.480 -0.000 0.000 0.357 37 M C 0.577 176.920 176.300 0.072 0.000 1.204 37 M CA -0.627 54.766 55.300 0.154 0.000 1.095 37 M CB 1.250 33.906 32.600 0.094 0.000 1.604 37 M HN -0.008 nan 8.290 nan 0.000 0.464 38 V N 6.686 126.643 119.914 0.070 0.000 2.694 38 V HA -0.089 4.031 4.120 -0.000 0.000 0.306 38 V C 0.973 177.110 176.094 0.073 0.000 1.054 38 V CA 0.556 62.886 62.300 0.049 0.000 1.161 38 V CB 0.548 32.401 31.823 0.050 0.000 0.916 38 V HN 0.966 nan 8.190 nan 0.000 0.490 39 L N 3.199 124.471 121.223 0.082 0.000 2.642 39 L HA 0.589 4.929 4.340 -0.000 0.000 0.233 39 L C 0.710 177.703 176.870 0.205 0.000 1.077 39 L CA 0.860 55.797 54.840 0.161 0.000 0.879 39 L CB 0.455 42.656 42.059 0.237 0.000 1.151 39 L HN 0.833 nan 8.230 nan 0.000 0.495 40 A N -0.320 122.568 122.820 0.114 0.000 2.438 40 A HA 0.855 5.175 4.320 -0.000 0.000 0.301 40 A C -1.886 175.727 177.584 0.049 0.000 1.101 40 A CA 0.088 52.198 52.037 0.121 0.000 0.621 40 A CB 0.888 19.997 19.000 0.181 0.000 1.350 40 A HN -0.000 nan 8.150 nan 0.000 0.496 41 A N -0.266 122.589 122.820 0.059 0.000 2.594 41 A HA 0.745 5.065 4.320 -0.000 0.000 0.296 41 A C -0.077 177.519 177.584 0.020 0.000 1.056 41 A CA 0.281 52.340 52.037 0.036 0.000 0.693 41 A CB 0.279 19.314 19.000 0.058 0.000 1.278 41 A HN 2.426 nan 8.150 nan 0.000 0.408 42 S N 0.410 116.105 115.700 -0.008 0.000 2.576 42 S HA 0.247 4.717 4.470 -0.000 0.000 0.272 42 S C 0.750 175.363 174.600 0.022 0.000 1.352 42 S CA 0.506 58.683 58.200 -0.038 0.000 1.021 42 S CB 0.481 63.666 63.200 -0.025 0.000 0.887 42 S HN 1.035 nan 8.310 nan 0.000 0.542 43 E N 0.352 120.571 120.200 0.032 0.000 2.502 43 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 43 E C 0.572 177.223 176.600 0.084 0.000 1.062 43 E CA 0.261 56.736 56.400 0.125 0.000 0.867 43 E CB -0.384 29.458 29.700 0.237 0.000 0.888 43 E HN 0.753 nan 8.360 nan 0.000 0.510 44 N N 1.538 120.269 118.700 0.051 0.000 2.275 44 N HA 0.018 4.758 4.740 -0.000 0.000 0.236 44 N C 1.140 176.663 175.510 0.021 0.000 1.154 44 N CA -0.103 52.973 53.050 0.043 0.000 0.866 44 N CB -0.007 38.508 38.487 0.046 0.000 1.093 44 N HN 0.223 nan 8.380 nan 0.000 0.515 45 I N -1.287 119.292 120.570 0.016 0.000 2.361 45 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 45 I C 2.401 178.502 176.117 -0.026 0.000 1.133 45 I CA 1.245 62.535 61.300 -0.016 0.000 1.413 45 I CB -0.660 37.340 38.000 0.000 0.000 1.073 45 I HN 0.159 nan 8.210 nan 0.000 0.424 46 Q N 1.064 120.864 119.800 -0.001 0.000 2.212 46 Q HA 0.050 4.390 4.340 -0.000 0.000 0.199 46 Q C 2.341 178.337 176.000 -0.006 0.000 0.950 46 Q CA 1.025 56.822 55.803 -0.011 0.000 0.863 46 Q CB -0.087 28.648 28.738 -0.005 0.000 0.944 46 Q HN 0.584 nan 8.270 nan 0.000 0.465 47 A N 0.422 123.251 122.820 0.016 0.000 1.940 47 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 47 A C 1.742 179.362 177.584 0.062 0.000 1.176 47 A CA 1.295 53.355 52.037 0.038 0.000 0.631 47 A CB -0.270 18.761 19.000 0.052 0.000 0.814 47 A HN 0.386 nan 8.150 nan 0.000 0.446 48 L N -1.445 119.803 121.223 0.042 0.000 2.356 48 L HA 0.300 4.640 4.340 -0.000 0.000 0.193 48 L C 0.586 177.472 176.870 0.027 0.000 1.087 48 L CA 0.705 55.589 54.840 0.074 0.000 0.817 48 L CB -0.318 41.736 42.059 -0.010 0.000 1.035 48 L HN 0.224 nan 8.230 nan 0.000 0.482 49 L N -0.452 120.709 121.223 -0.103 0.000 2.292 49 L HA 0.320 4.660 4.340 -0.000 0.000 0.284 49 L C 1.603 178.457 176.870 -0.026 0.000 1.065 49 L CA -0.205 54.573 54.840 -0.104 0.000 0.806 49 L CB 1.057 42.966 42.059 -0.250 0.000 1.175 49 L HN 0.240 nan 8.230 nan 0.000 0.431 50 G N 3.568 112.363 108.800 -0.009 0.000 2.550 50 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.222 50 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.222 50 G C 0.427 175.061 174.900 -0.442 0.000 1.113 50 G CA 0.802 45.738 45.100 -0.273 0.000 0.748 50 G HN 0.393 nan 8.290 nan 0.000 0.585 51 F N -2.085 117.830 119.950 -0.057 0.000 2.572 51 F HA 0.665 5.192 4.527 -0.000 0.000 0.342 51 F C -0.319 175.452 175.800 -0.048 0.000 1.064 51 F CA -1.261 56.711 58.000 -0.046 0.000 1.008 51 F CB 2.214 41.186 39.000 -0.047 0.000 1.303 51 F HN -0.255 nan 8.300 nan 0.000 0.492 52 V N 1.513 121.530 119.914 0.171 0.000 2.445 52 V HA 0.552 4.672 4.120 -0.000 0.000 0.283 52 V C -0.265 175.877 176.094 0.080 0.000 1.014 52 V CA -0.969 61.384 62.300 0.088 0.000 0.852 52 V CB 0.885 32.743 31.823 0.058 0.000 1.021 52 V HN 0.897 nan 8.190 nan 0.000 0.435 53 A N 3.750 126.606 122.820 0.059 0.000 2.371 53 A HA 0.733 5.053 4.320 -0.000 0.000 0.257 53 A C 0.712 178.328 177.584 0.053 0.000 1.089 53 A CA 0.135 52.200 52.037 0.046 0.000 0.794 53 A CB 0.588 19.602 19.000 0.025 0.000 1.029 53 A HN 1.099 nan 8.150 nan 0.000 0.488 54 S N 1.532 117.263 115.700 0.053 0.000 2.646 54 S HA 0.633 5.103 4.470 -0.000 0.000 0.276 54 S C -2.883 171.755 174.600 0.064 0.000 1.222 54 S CA -1.495 56.740 58.200 0.057 0.000 1.014 54 S CB 0.727 63.957 63.200 0.050 0.000 0.991 54 S HN 0.439 nan 8.310 nan 0.000 0.533 55 P HA 0.295 nan 4.420 nan 0.000 0.265 55 P C 1.001 178.341 177.300 0.066 0.000 1.222 55 P CA 1.057 64.206 63.100 0.081 0.000 0.767 55 P CB 0.200 31.954 31.700 0.090 0.000 0.801 56 G N 2.071 110.911 108.800 0.067 0.000 2.254 56 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.225 56 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.225 56 G C 0.620 175.556 174.900 0.060 0.000 1.003 56 G CA 0.134 45.267 45.100 0.054 0.000 0.622 56 G HN 0.738 nan 8.290 nan 0.000 0.507 57 S N -0.200 115.540 115.700 0.068 0.000 2.569 57 S HA 0.489 4.959 4.470 -0.000 0.000 0.274 57 S C 0.453 175.140 174.600 0.144 0.000 1.353 57 S CA -0.118 58.132 58.200 0.083 0.000 1.023 57 S CB 0.482 63.720 63.200 0.062 0.000 0.876 57 S HN 0.620 nan 8.310 nan 0.000 0.540 58 Y N 2.870 123.154 120.300 -0.027 0.000 2.534 58 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 58 Y C 0.160 176.029 175.900 -0.052 0.000 1.279 58 Y CA -1.670 56.404 58.100 -0.043 0.000 1.436 58 Y CB 0.282 38.715 38.460 -0.045 0.000 1.573 58 Y HN 0.567 nan 8.280 nan 0.000 0.567 59 L N 2.336 123.229 121.223 -0.549 0.000 2.615 59 L HA 0.170 4.509 4.340 -0.000 0.000 0.271 59 L C -0.031 176.702 176.870 -0.228 0.000 1.183 59 L CA 0.100 54.691 54.840 -0.415 0.000 0.933 59 L CB -1.625 40.097 42.059 -0.562 0.000 1.199 59 L HN 0.676 nan 8.230 nan 0.000 0.487 60 T N -0.150 114.307 114.554 -0.160 0.000 2.891 60 T HA 0.109 4.458 4.350 -0.000 0.000 0.315 60 T C 1.029 175.609 174.700 -0.200 0.000 1.054 60 T CA -0.654 61.357 62.100 -0.149 0.000 0.958 60 T CB 1.410 70.202 68.868 -0.127 0.000 1.008 60 T HN 0.545 nan 8.240 nan 0.000 0.521 61 Q N 2.110 121.801 119.800 -0.182 0.000 2.325 61 Q HA -0.193 4.146 4.340 -0.000 0.000 0.211 61 Q C 1.676 177.527 176.000 -0.248 0.000 0.988 61 Q CA 1.675 57.371 55.803 -0.179 0.000 0.887 61 Q CB -0.117 28.541 28.738 -0.133 0.000 0.915 61 Q HN 0.870 nan 8.270 nan 0.000 0.440 62 E N -0.462 119.530 120.200 -0.348 0.000 2.153 62 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 62 E C 1.846 177.882 176.600 -0.939 0.000 0.988 62 E CA 1.031 57.044 56.400 -0.645 0.000 0.811 62 E CB 0.068 29.319 29.700 -0.749 0.000 0.746 62 E HN 0.436 nan 8.360 nan 0.000 0.466 63 Q N 0.137 119.574 119.800 -0.605 0.000 2.084 63 Q HA -0.082 4.258 4.340 -0.000 0.000 0.194 63 Q C 2.115 177.989 176.000 -0.210 0.000 0.969 63 Q CA 1.080 56.642 55.803 -0.401 0.000 0.829 63 Q CB 0.499 29.109 28.738 -0.213 0.000 0.904 63 Q HN 0.149 nan 8.270 nan 0.000 0.464 64 V N -0.666 119.151 119.914 -0.162 0.000 2.685 64 V HA 0.307 4.427 4.120 -0.000 0.000 0.244 64 V C 0.985 177.057 176.094 -0.037 0.000 1.054 64 V CA 0.613 62.870 62.300 -0.072 0.000 1.076 64 V CB -0.343 31.463 31.823 -0.028 0.000 0.725 64 V HN 0.565 nan 8.190 nan 0.000 0.467 65 G N 0.404 109.162 108.800 -0.070 0.000 2.663 65 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.686 65 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.686 65 G C -1.928 172.953 174.900 -0.032 0.000 1.246 65 G CA -0.317 44.757 45.100 -0.042 0.000 0.795 65 G HN 0.193 nan 8.290 nan 0.000 0.627 66 P HA -0.066 nan 4.420 nan 0.000 0.214 66 P C 1.569 178.862 177.300 -0.011 0.000 1.163 66 P CA 2.141 65.226 63.100 -0.025 0.000 0.889 66 P CB -0.003 31.687 31.700 -0.016 0.000 0.790 67 E N -0.807 119.397 120.200 0.007 0.000 2.204 67 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 67 E C 1.818 178.435 176.600 0.030 0.000 0.989 67 E CA 0.794 57.206 56.400 0.020 0.000 0.824 67 E CB -1.137 28.581 29.700 0.030 0.000 0.756 67 E HN 0.129 nan 8.360 nan 0.000 0.477 68 V N 0.502 120.434 119.914 0.031 0.000 2.599 68 V HA -0.066 4.054 4.120 -0.000 0.000 0.245 68 V C 2.055 178.151 176.094 0.003 0.000 1.046 68 V CA 0.834 63.162 62.300 0.047 0.000 1.065 68 V CB -0.361 31.511 31.823 0.081 0.000 0.703 68 V HN 0.220 nan 8.190 nan 0.000 0.464 69 L N 0.309 121.510 121.223 -0.036 0.000 2.362 69 L HA -0.101 4.238 4.340 -0.000 0.000 0.219 69 L C 2.646 179.469 176.870 -0.077 0.000 1.134 69 L CA 1.288 56.076 54.840 -0.086 0.000 0.807 69 L CB -0.425 41.568 42.059 -0.109 0.000 0.927 69 L HN 0.326 nan 8.230 nan 0.000 0.447 70 R N 0.278 120.757 120.500 -0.035 0.000 2.119 70 R HA -0.140 4.199 4.340 -0.000 0.000 0.222 70 R C 2.278 178.580 176.300 0.003 0.000 1.088 70 R CA 1.070 57.159 56.100 -0.019 0.000 0.984 70 R CB -0.082 30.219 30.300 0.002 0.000 0.884 70 R HN 0.291 nan 8.270 nan 0.000 0.447 71 M N 0.238 119.861 119.600 0.039 0.000 2.160 71 M HA -0.065 4.414 4.480 -0.000 0.000 0.264 71 M C 1.880 178.189 176.300 0.016 0.000 1.073 71 M CA 1.210 56.592 55.300 0.136 0.000 1.142 71 M CB 0.028 32.764 32.600 0.226 0.000 1.358 71 M HN 0.315 nan 8.290 nan 0.000 0.422 72 L N 0.765 121.913 121.223 -0.126 0.000 2.131 72 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 72 L C 1.960 178.568 176.870 -0.438 0.000 1.092 72 L CA 1.859 56.468 54.840 -0.385 0.000 0.759 72 L CB -0.527 41.346 42.059 -0.311 0.000 0.903 72 L HN 0.318 nan 8.230 nan 0.000 0.435 73 E N -0.011 120.032 120.200 -0.261 0.000 2.285 73 E HA -0.194 4.155 4.350 -0.000 0.000 0.194 73 E C 1.827 178.311 176.600 -0.193 0.000 0.997 73 E CA 1.066 57.333 56.400 -0.221 0.000 0.845 73 E CB -0.002 29.613 29.700 -0.140 0.000 0.782 73 E HN 0.791 nan 8.360 nan 0.000 0.491 74 E N -1.990 118.114 120.200 -0.158 0.000 2.474 74 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 74 E C 1.504 177.995 176.600 -0.181 0.000 1.039 74 E CA 0.505 56.855 56.400 -0.085 0.000 0.881 74 E CB 0.542 30.267 29.700 0.042 0.000 0.970 74 E HN 0.176 nan 8.360 nan 0.000 0.486 75 G N 0.713 109.185 108.800 -0.546 0.000 2.656 75 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.211 75 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.211 75 G C 1.326 175.858 174.900 -0.613 0.000 1.137 75 G CA -0.107 44.346 45.100 -1.078 0.000 0.802 75 G HN 0.088 nan 8.290 nan 0.000 0.527 76 L N 1.829 122.701 121.223 -0.584 0.000 2.270 76 L HA 0.148 4.488 4.340 -0.000 0.000 0.210 76 L C 1.829 178.586 176.870 -0.189 0.000 1.104 76 L CA 1.124 55.717 54.840 -0.413 0.000 0.804 76 L CB -0.584 41.233 42.059 -0.404 0.000 0.937 76 L HN 0.242 nan 8.230 nan 0.000 0.450 77 T N -1.126 113.330 114.554 -0.162 0.000 3.477 77 T HA 0.669 5.019 4.350 -0.000 0.000 0.347 77 T C 0.305 174.987 174.700 -0.031 0.000 1.567 77 T CA -0.142 61.912 62.100 -0.076 0.000 1.169 77 T CB -0.066 68.765 68.868 -0.062 0.000 1.196 77 T HN 0.352 nan 8.240 nan 0.000 0.768 78 G N 2.061 110.860 108.800 -0.002 0.000 2.301 78 G HA2 0.259 4.219 3.960 -0.000 0.000 0.290 78 G HA3 0.259 4.219 3.960 -0.000 0.000 0.290 78 G C -1.307 173.638 174.900 0.076 0.000 1.669 78 G CA -1.109 44.018 45.100 0.046 0.000 0.945 78 G HN 0.515 nan 8.290 nan 0.000 0.710 79 N N -0.552 118.194 118.700 0.076 0.000 2.681 79 N HA 0.856 5.595 4.740 -0.000 0.000 0.311 79 N C 0.878 176.442 175.510 0.090 0.000 1.303 79 N CA 0.968 54.065 53.050 0.077 0.000 0.926 79 N CB 0.739 39.256 38.487 0.049 0.000 1.136 79 N HN 2.064 nan 8.380 nan 0.000 0.592 80 G N -0.341 108.497 108.800 0.063 0.000 2.888 80 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.441 80 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.441 80 G C -2.583 172.360 174.900 0.072 0.000 1.461 80 G CA -1.066 44.068 45.100 0.056 0.000 0.897 80 G HN 0.501 nan 8.290 nan 0.000 0.547 81 P HA 0.278 nan 4.420 nan 0.000 0.260 81 P C -0.371 176.991 177.300 0.104 0.000 1.207 81 P CA 0.244 63.361 63.100 0.030 0.000 0.780 81 P CB 0.283 31.955 31.700 -0.046 0.000 0.789 82 W N 4.105 125.375 121.300 -0.049 0.000 2.375 82 W HA 0.557 5.217 4.660 -0.000 0.000 0.336 82 W C -0.441 176.104 176.519 0.043 0.000 1.160 82 W CA 0.150 57.510 57.345 0.024 0.000 1.266 82 W CB 1.206 30.733 29.460 0.112 0.000 1.195 82 W HN 0.237 nan 8.180 nan 0.000 0.599 83 S N 3.979 119.103 115.700 -0.959 0.000 2.563 83 S HA 0.415 4.885 4.470 -0.000 0.000 0.279 83 S C -1.422 172.578 174.600 -1.000 0.000 1.155 83 S CA -0.707 56.986 58.200 -0.845 0.000 0.928 83 S CB 0.347 63.346 63.200 -0.335 0.000 1.107 83 S HN 0.723 nan 8.310 nan 0.000 0.462 84 N N 0.546 118.704 118.700 -0.904 0.000 3.355 84 N HA 0.577 5.317 4.740 -0.000 0.000 0.238 84 N C -1.991 173.338 175.510 -0.302 0.000 1.466 84 N CA -0.449 52.294 53.050 -0.512 0.000 0.882 84 N CB 1.617 39.841 38.487 -0.438 0.000 1.406 84 N HN 0.685 nan 8.380 nan 0.000 0.500 85 S N -0.001 115.600 115.700 -0.166 0.000 2.550 85 S HA 0.825 5.295 4.470 -0.000 0.000 0.270 85 S C -1.301 173.255 174.600 -0.074 0.000 1.145 85 S CA -0.503 57.601 58.200 -0.160 0.000 0.852 85 S CB 1.712 64.785 63.200 -0.210 0.000 1.119 85 S HN 0.335 nan 8.310 nan 0.000 0.465 86 V N 0.361 120.240 119.914 -0.059 0.000 3.103 86 V HA 0.724 4.843 4.120 -0.000 0.000 0.311 86 V C -1.095 175.011 176.094 0.020 0.000 1.322 86 V CA -1.049 61.252 62.300 0.002 0.000 1.063 86 V CB 1.830 33.678 31.823 0.042 0.000 1.090 86 V HN 1.027 nan 8.190 nan 0.000 0.462 87 E N -0.080 120.150 120.200 0.049 0.000 2.278 87 E HA 0.675 5.025 4.350 -0.000 0.000 0.272 87 E C -1.183 175.465 176.600 0.080 0.000 0.890 87 E CA -0.289 56.153 56.400 0.070 0.000 0.770 87 E CB 2.361 32.092 29.700 0.051 0.000 1.212 87 E HN 0.823 nan 8.360 nan 0.000 0.415 88 T N 1.132 115.753 114.554 0.111 0.000 2.733 88 T HA 0.368 4.718 4.350 -0.000 0.000 0.312 88 T C -1.843 172.933 174.700 0.128 0.000 1.590 88 T CA -0.822 61.340 62.100 0.103 0.000 1.005 88 T CB 1.392 70.322 68.868 0.103 0.000 1.528 88 T HN 0.458 nan 8.240 nan 0.000 0.496 89 R N 2.299 122.858 120.500 0.099 0.000 2.229 89 R HA 0.745 5.085 4.340 -0.000 0.000 0.328 89 R C -1.032 175.354 176.300 0.144 0.000 1.009 89 R CA -0.418 55.745 56.100 0.105 0.000 0.864 89 R CB 0.253 30.587 30.300 0.056 0.000 1.085 89 R HN 0.575 nan 8.270 nan 0.000 0.453 90 I N 6.018 126.729 120.570 0.235 0.000 2.493 90 I HA 0.403 4.573 4.170 -0.000 0.000 0.279 90 I C 0.485 176.753 176.117 0.252 0.000 1.045 90 I CA -0.121 61.306 61.300 0.211 0.000 1.106 90 I CB 1.677 39.752 38.000 0.124 0.000 1.216 90 I HN 1.072 nan 8.210 nan 0.000 0.459 91 G N 4.948 113.861 108.800 0.188 0.000 2.503 91 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 91 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 91 G C 0.469 175.384 174.900 0.024 0.000 1.179 91 G CA 0.520 45.687 45.100 0.113 0.000 0.944 91 G HN 0.590 nan 8.290 nan 0.000 0.580 92 E N -0.048 120.108 120.200 -0.073 0.000 2.122 92 E HA 0.120 4.470 4.350 -0.000 0.000 0.190 92 E C 1.270 177.656 176.600 -0.358 0.000 0.977 92 E CA 1.443 57.685 56.400 -0.263 0.000 0.820 92 E CB -0.039 29.401 29.700 -0.433 0.000 0.770 92 E HN 0.619 nan 8.360 nan 0.000 0.462 93 H N -0.440 118.616 119.070 -0.023 0.000 2.748 93 H HA 0.352 4.908 4.556 -0.000 0.000 0.315 93 H C -0.027 175.127 175.328 -0.289 0.000 1.429 93 H CA -0.757 55.173 56.048 -0.196 0.000 1.444 93 H CB 0.764 30.319 29.762 -0.344 0.000 1.827 93 H HN 0.055 nan 8.280 nan 0.000 0.754 94 L N -0.977 120.047 121.223 -0.332 0.000 2.341 94 L HA 0.644 4.984 4.340 -0.000 0.000 0.267 94 L C -1.258 175.292 176.870 -0.535 0.000 1.009 94 L CA -0.865 53.817 54.840 -0.264 0.000 0.819 94 L CB 0.696 42.718 42.059 -0.062 0.000 1.323 94 L HN 0.405 nan 8.230 nan 0.000 0.425 95 F N -0.902 119.110 119.950 0.103 0.000 2.650 95 F HA 0.498 5.024 4.527 -0.000 0.000 0.320 95 F C 0.086 175.942 175.800 0.094 0.000 1.091 95 F CA -0.690 57.382 58.000 0.120 0.000 0.962 95 F CB 1.533 40.647 39.000 0.190 0.000 1.363 95 F HN 0.432 nan 8.300 nan 0.000 0.482 96 D N 1.651 122.219 120.400 0.280 0.000 2.316 96 D HA 0.278 4.918 4.640 -0.000 0.000 0.245 96 D C -0.617 175.703 176.300 0.033 0.000 1.171 96 D CA 0.143 54.189 54.000 0.076 0.000 0.856 96 D CB 1.787 42.560 40.800 -0.045 0.000 1.090 96 D HN 0.090 nan 8.370 nan 0.000 0.476 97 V N 5.268 125.177 119.914 -0.008 0.000 2.299 97 V HA 0.148 4.268 4.120 -0.000 0.000 0.255 97 V C 0.742 176.684 176.094 -0.254 0.000 1.100 97 V CA -0.539 61.702 62.300 -0.099 0.000 0.938 97 V CB -0.276 31.583 31.823 0.060 0.000 1.139 97 V HN 0.343 nan 8.190 nan 0.000 0.490 98 I N 1.938 122.283 120.570 -0.374 0.000 2.313 98 I HA 0.756 4.926 4.170 -0.000 0.000 0.286 98 I C 0.533 176.540 176.117 -0.184 0.000 1.091 98 I CA -0.186 60.895 61.300 -0.366 0.000 1.216 98 I CB 0.815 38.517 38.000 -0.498 0.000 1.434 98 I HN 0.480 nan 8.210 nan 0.000 0.487 99 G N 4.760 113.508 108.800 -0.088 0.000 2.388 99 G HA2 0.667 4.627 3.960 -0.000 0.000 0.330 99 G HA3 0.667 4.627 3.960 -0.000 0.000 0.330 99 G C -0.936 174.043 174.900 0.131 0.000 1.142 99 G CA -0.442 44.731 45.100 0.122 0.000 0.908 99 G HN 0.911 nan 8.290 nan 0.000 0.473 100 H N -1.390 117.841 119.070 0.268 0.000 2.960 100 H HA 0.818 5.374 4.556 -0.000 0.000 0.303 100 H C -0.946 174.552 175.328 0.284 0.000 1.412 100 H CA -1.043 55.134 56.048 0.215 0.000 1.227 100 H CB 1.989 31.794 29.762 0.072 0.000 1.912 100 H HN 0.517 nan 8.280 nan 0.000 0.583 101 S N 0.703 116.511 115.700 0.181 0.000 2.733 101 S HA 0.378 4.847 4.470 -0.000 0.000 0.294 101 S C -2.121 172.526 174.600 0.078 0.000 1.149 101 S CA -0.628 57.376 58.200 -0.326 0.000 1.034 101 S CB 0.246 62.852 63.200 -0.991 0.000 1.015 101 S HN 0.597 nan 8.310 nan 0.000 0.486 102 Y N 5.437 125.771 120.300 0.058 0.000 2.409 102 Y HA 0.566 5.115 4.550 -0.000 0.000 0.343 102 Y C 0.584 176.529 175.900 0.075 0.000 0.973 102 Y CA -0.390 57.774 58.100 0.108 0.000 1.064 102 Y CB 0.715 39.369 38.460 0.324 0.000 1.207 102 Y HN 0.876 nan 8.280 nan 0.000 0.452 103 K N 2.221 122.259 120.400 -0.603 0.000 1.795 103 K HA -0.314 4.005 4.320 -0.000 0.000 0.138 103 K C 0.257 176.737 176.600 -0.200 0.000 1.027 103 K CA 2.134 58.160 56.287 -0.435 0.000 0.303 103 K CB -0.981 31.265 32.500 -0.424 0.000 0.699 103 K HN 0.942 nan 8.250 nan 0.000 0.789 104 E N 0.593 120.715 120.200 -0.131 0.000 2.630 104 E HA 0.208 4.558 4.350 -0.000 0.000 0.218 104 E C -0.527 176.043 176.600 -0.050 0.000 0.977 104 E CA -0.055 56.303 56.400 -0.070 0.000 1.038 104 E CB 0.969 30.654 29.700 -0.025 0.000 1.051 104 E HN 0.120 nan 8.360 nan 0.000 0.487 105 V N 1.270 121.114 119.914 -0.116 0.000 2.630 105 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 105 V C -0.394 175.385 176.094 -0.524 0.000 1.046 105 V CA -0.573 61.612 62.300 -0.192 0.000 0.934 105 V CB 1.154 32.907 31.823 -0.118 0.000 1.003 105 V HN 0.004 nan 8.190 nan 0.000 0.451 106 F N 2.669 122.273 119.950 -0.577 0.000 2.432 106 F HA 0.693 5.220 4.527 -0.000 0.000 0.329 106 F C -0.607 174.654 175.800 -0.899 0.000 1.076 106 F CA -0.356 57.300 58.000 -0.574 0.000 1.018 106 F CB 1.680 40.487 39.000 -0.323 0.000 1.201 106 F HN 0.340 nan 8.300 nan 0.000 0.489 107 Y N 3.278 123.521 120.300 -0.094 0.000 2.354 107 Y HA 0.458 5.008 4.550 -0.000 0.000 0.330 107 Y C -1.066 174.736 175.900 -0.163 0.000 1.011 107 Y CA -1.061 56.909 58.100 -0.218 0.000 1.099 107 Y CB 1.256 39.467 38.460 -0.416 0.000 1.179 107 Y HN 0.160 nan 8.280 nan 0.000 0.442 108 L N 4.412 125.627 121.223 -0.014 0.000 2.294 108 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 108 L C -0.359 176.218 176.870 -0.488 0.000 1.015 108 L CA -0.563 54.150 54.840 -0.212 0.000 0.831 108 L CB 1.358 43.320 42.059 -0.162 0.000 1.217 108 L HN 0.765 nan 8.230 nan 0.000 0.420 109 E N 3.645 123.502 120.200 -0.572 0.000 2.207 109 E HA 0.610 4.960 4.350 -0.000 0.000 0.270 109 E C -1.458 174.668 176.600 -0.790 0.000 0.927 109 E CA -0.575 55.518 56.400 -0.512 0.000 0.799 109 E CB 2.025 31.609 29.700 -0.194 0.000 1.172 109 E HN 0.208 nan 8.360 nan 0.000 0.404 110 F N 0.826 120.711 119.950 -0.109 0.000 2.518 110 F HA 0.378 4.904 4.527 -0.000 0.000 0.323 110 F C 0.145 175.925 175.800 -0.032 0.000 1.129 110 F CA -0.783 57.135 58.000 -0.137 0.000 0.920 110 F CB 1.877 40.639 39.000 -0.397 0.000 1.160 110 F HN 0.330 nan 8.300 nan 0.000 0.440 111 E N 3.789 124.171 120.200 0.305 0.000 2.238 111 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 111 E C -0.337 176.579 176.600 0.526 0.000 0.887 111 E CA -1.028 55.580 56.400 0.346 0.000 0.769 111 E CB 1.797 31.627 29.700 0.217 0.000 1.187 111 E HN 0.588 nan 8.360 nan 0.000 0.416 112 I N 0.350 121.169 120.570 0.414 0.000 3.094 112 I HA 0.068 4.238 4.170 -0.000 0.000 0.291 112 I C -0.474 175.654 176.117 0.017 0.000 1.250 112 I CA 0.414 61.770 61.300 0.094 0.000 1.401 112 I CB -0.103 37.907 38.000 0.016 0.000 1.343 112 I HN 0.551 nan 8.210 nan 0.000 0.599 113 R N 3.695 124.120 120.500 -0.125 0.000 2.371 113 R HA 0.426 4.766 4.340 -0.000 0.000 0.312 113 R C -0.037 176.217 176.300 -0.076 0.000 0.980 113 R CA -0.524 55.543 56.100 -0.056 0.000 0.867 113 R CB 1.669 31.943 30.300 -0.043 0.000 1.163 113 R HN 0.888 nan 8.270 nan 0.000 0.492 118 L N 4.138 125.370 121.223 0.016 0.000 2.406 118 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 118 L C 1.440 178.331 176.870 0.035 0.000 0.982 118 L CA -0.731 54.121 54.840 0.020 0.000 0.843 118 L CB 1.997 44.064 42.059 0.012 0.000 1.225 118 L HN 0.741 nan 8.230 nan 0.000 0.412 119 S N 3.678 119.402 115.700 0.039 0.000 2.356 119 S HA 0.071 4.541 4.470 -0.000 0.000 0.219 119 S C 1.315 175.957 174.600 0.071 0.000 1.036 119 S CA 0.437 58.668 58.200 0.051 0.000 0.965 119 S CB 0.203 63.427 63.200 0.040 0.000 0.864 119 S HN 0.543 nan 8.310 nan 0.000 0.471 120 I N 2.047 122.656 120.570 0.065 0.000 3.883 120 I HA 0.134 4.304 4.170 -0.000 0.000 0.326 120 I C 0.817 176.996 176.117 0.103 0.000 1.283 120 I CA 0.691 62.045 61.300 0.090 0.000 1.161 120 I CB -0.709 37.327 38.000 0.060 0.000 1.012 120 I HN 0.409 nan 8.210 nan 0.000 0.421 121 T N -1.516 113.079 114.554 0.068 0.000 3.044 121 T HA 0.074 4.424 4.350 -0.000 0.000 0.260 121 T C 1.731 176.442 174.700 0.019 0.000 1.019 121 T CA 0.357 62.480 62.100 0.038 0.000 0.921 121 T CB 0.703 69.582 68.868 0.018 0.000 1.053 121 T HN 0.139 nan 8.240 nan 0.000 0.533 122 S N 0.715 116.441 115.700 0.043 0.000 2.452 122 S HA 0.107 4.576 4.470 -0.000 0.000 0.225 122 S C 1.643 176.243 174.600 -0.000 0.000 1.057 122 S CA -0.050 58.156 58.200 0.011 0.000 0.949 122 S CB -0.347 62.866 63.200 0.022 0.000 0.836 122 S HN 0.415 nan 8.310 nan 0.000 0.518 123 F N 3.083 122.985 119.950 -0.080 0.000 2.134 123 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 123 F C 2.406 178.143 175.800 -0.104 0.000 1.097 123 F CA 2.236 60.170 58.000 -0.109 0.000 1.264 123 F CB -0.903 38.049 39.000 -0.079 0.000 1.001 123 F HN 0.389 nan 8.300 nan 0.000 0.479 124 T N -1.863 112.567 114.554 -0.207 0.000 3.067 124 T HA -0.034 4.316 4.350 -0.000 0.000 0.261 124 T C 1.733 176.294 174.700 -0.232 0.000 1.110 124 T CA 0.942 62.861 62.100 -0.301 0.000 1.113 124 T CB -0.409 68.428 68.868 -0.052 0.000 0.917 124 T HN 0.291 nan 8.240 nan 0.000 0.499 125 L N 1.545 122.664 121.223 -0.173 0.000 2.102 125 L HA 0.342 4.682 4.340 -0.000 0.000 0.202 125 L C 2.393 179.153 176.870 -0.183 0.000 1.076 125 L CA 1.360 56.117 54.840 -0.139 0.000 0.761 125 L CB -0.841 41.165 42.059 -0.088 0.000 0.921 125 L HN 0.278 nan 8.230 nan 0.000 0.444 126 N N -1.036 117.525 118.700 -0.233 0.000 2.137 126 N HA -0.235 4.505 4.740 -0.000 0.000 0.190 126 N C 1.717 177.037 175.510 -0.318 0.000 1.017 126 N CA 1.035 53.912 53.050 -0.287 0.000 0.859 126 N CB -0.001 38.250 38.487 -0.394 0.000 1.002 126 N HN 0.446 nan 8.380 nan 0.000 0.428 127 A N 1.172 123.773 122.820 -0.364 0.000 1.840 127 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 127 A C 1.881 179.355 177.584 -0.184 0.000 1.198 127 A CA 1.061 52.914 52.037 -0.307 0.000 0.608 127 A CB -0.622 18.134 19.000 -0.407 0.000 0.839 127 A HN 0.304 nan 8.150 nan 0.000 0.443 128 Q N -0.875 118.824 119.800 -0.168 0.000 2.449 128 Q HA -0.161 4.178 4.340 -0.000 0.000 0.214 128 Q C 2.074 178.017 176.000 -0.095 0.000 0.986 128 Q CA 0.919 56.657 55.803 -0.108 0.000 0.893 128 Q CB -0.183 28.497 28.738 -0.096 0.000 0.940 128 Q HN 0.466 nan 8.270 nan 0.000 0.477 129 R N 0.363 120.791 120.500 -0.120 0.000 2.127 129 R HA 0.056 4.396 4.340 -0.000 0.000 0.217 129 R C 1.658 177.891 176.300 -0.112 0.000 1.074 129 R CA 0.799 56.835 56.100 -0.106 0.000 0.991 129 R CB 0.161 30.392 30.300 -0.114 0.000 0.895 129 R HN 0.341 nan 8.270 nan 0.000 0.450 130 I N 0.370 120.852 120.570 -0.146 0.000 3.883 130 I HA -0.060 4.110 4.170 -0.000 0.000 0.305 130 I C 1.566 177.639 176.117 -0.074 0.000 1.247 130 I CA 0.159 61.330 61.300 -0.215 0.000 1.350 130 I CB 0.283 38.006 38.000 -0.462 0.000 1.194 130 I HN 0.000 nan 8.210 nan 0.000 0.441 131 I N -0.017 120.577 120.570 0.040 0.000 3.083 131 I HA 0.081 4.251 4.170 -0.000 0.000 0.273 131 I C 1.751 177.907 176.117 0.064 0.000 1.297 131 I CA 1.372 62.773 61.300 0.169 0.000 1.452 131 I CB -0.686 37.389 38.000 0.125 0.000 1.078 131 I HN 0.048 nan 8.210 nan 0.000 0.484 132 A N -0.014 122.808 122.820 0.003 0.000 2.348 132 A HA 0.184 4.504 4.320 -0.000 0.000 0.224 132 A C 2.041 179.597 177.584 -0.046 0.000 1.227 132 A CA 0.255 52.276 52.037 -0.027 0.000 0.885 132 A CB -0.283 18.693 19.000 -0.040 0.000 0.933 132 A HN 0.450 nan 8.150 nan 0.000 0.506 133 Q N -0.838 118.948 119.800 -0.023 0.000 2.398 133 Q HA 0.113 4.453 4.340 -0.000 0.000 0.204 133 Q C 1.433 177.413 176.000 -0.034 0.000 0.932 133 Q CA 1.299 57.084 55.803 -0.029 0.000 0.916 133 Q CB -0.106 28.627 28.738 -0.007 0.000 1.024 133 Q HN 0.266 nan 8.270 nan 0.000 0.504 134 V N -0.126 119.811 119.914 0.037 0.000 3.174 134 V HA -0.018 4.102 4.120 -0.000 0.000 0.254 134 V C 1.438 177.497 176.094 -0.057 0.000 1.120 134 V CA 1.048 63.377 62.300 0.047 0.000 1.114 134 V CB 0.063 31.961 31.823 0.125 0.000 0.756 134 V HN 0.373 nan 8.190 nan 0.000 0.467 135 Q N -0.761 118.991 119.800 -0.080 0.000 2.482 135 Q HA 0.052 4.392 4.340 -0.000 0.000 0.209 135 Q C 1.853 177.763 176.000 -0.150 0.000 0.961 135 Q CA 0.683 56.433 55.803 -0.089 0.000 0.945 135 Q CB 0.376 29.077 28.738 -0.061 0.000 1.012 135 Q HN 0.551 nan 8.270 nan 0.000 0.515 136 L N -0.909 120.127 121.223 -0.312 0.000 2.316 136 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 136 L C 0.211 176.899 176.870 -0.302 0.000 1.070 136 L CA 0.368 54.993 54.840 -0.358 0.000 0.820 136 L CB 0.393 42.209 42.059 -0.406 0.000 0.992 136 L HN 0.221 nan 8.230 nan 0.000 0.466 137 H N -2.774 116.309 119.070 0.023 0.000 2.713 137 H HA 0.342 4.898 4.556 -0.000 0.000 0.340 137 H C -0.214 175.126 175.328 0.019 0.000 1.271 137 H CA -0.669 55.392 56.048 0.022 0.000 1.306 137 H CB 0.619 30.399 29.762 0.029 0.000 1.839 137 H HN -0.116 nan 8.280 nan 0.000 0.627 138 N N -1.019 117.779 118.700 0.163 0.000 2.239 138 N HA -0.020 4.720 4.740 -0.000 0.000 0.208 138 N C -0.670 174.889 175.510 0.083 0.000 1.200 138 N CA -0.038 53.064 53.050 0.086 0.000 0.895 138 N CB 0.851 39.371 38.487 0.054 0.000 1.085 138 N HN 0.461 nan 8.380 nan 0.000 0.500 139 D N 0.615 121.075 120.400 0.101 0.000 2.277 139 D HA 0.055 4.695 4.640 -0.000 0.000 0.249 139 D C 0.870 177.223 176.300 0.088 0.000 1.134 139 D CA 0.276 54.318 54.000 0.070 0.000 0.863 139 D CB 1.459 42.282 40.800 0.039 0.000 1.143 139 D HN -0.137 nan 8.370 nan 0.000 0.458 140 T N 1.881 116.486 114.554 0.085 0.000 3.160 140 T HA 0.076 4.426 4.350 -0.000 0.000 0.257 140 T C 1.349 176.135 174.700 0.143 0.000 1.147 140 T CA 1.138 63.306 62.100 0.114 0.000 1.064 140 T CB -0.074 68.856 68.868 0.103 0.000 0.949 140 T HN 0.425 nan 8.240 nan 0.000 0.526 141 A N -0.375 122.502 122.820 0.095 0.000 2.115 141 A HA 0.294 4.613 4.320 -0.000 0.000 0.211 141 A C 2.520 180.126 177.584 0.037 0.000 1.169 141 A CA 0.826 52.907 52.037 0.073 0.000 0.787 141 A CB -0.197 18.829 19.000 0.043 0.000 0.858 141 A HN 0.484 nan 8.150 nan 0.000 0.474 142 S N -0.080 115.619 115.700 -0.002 0.000 2.362 142 S HA -0.083 4.387 4.470 -0.000 0.000 0.221 142 S C 1.822 176.371 174.600 -0.084 0.000 1.032 142 S CA 1.228 59.343 58.200 -0.143 0.000 0.973 142 S CB -0.352 62.678 63.200 -0.284 0.000 0.849 142 S HN 0.487 nan 8.310 nan 0.000 0.465 143 L N 1.840 123.151 121.223 0.148 0.000 2.127 143 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 143 L C 1.792 178.826 176.870 0.273 0.000 1.089 143 L CA 1.638 56.660 54.840 0.305 0.000 0.757 143 L CB -0.462 41.762 42.059 0.274 0.000 0.899 143 L HN 0.291 nan 8.230 nan 0.000 0.434 144 L N -1.954 119.410 121.223 0.235 0.000 2.127 144 L HA -0.066 4.274 4.340 -0.000 0.000 0.203 144 L C 2.562 179.557 176.870 0.208 0.000 1.080 144 L CA 1.174 56.192 54.840 0.296 0.000 0.768 144 L CB -0.619 41.571 42.059 0.219 0.000 0.924 144 L HN 0.312 nan 8.230 nan 0.000 0.444 145 S N 0.011 115.770 115.700 0.098 0.000 2.399 145 S HA -0.158 4.312 4.470 -0.000 0.000 0.231 145 S C 1.584 176.203 174.600 0.032 0.000 1.022 145 S CA 1.529 59.755 58.200 0.043 0.000 0.983 145 S CB -0.167 63.029 63.200 -0.008 0.000 0.803 145 S HN 0.455 nan 8.310 nan 0.000 0.480 146 N N 0.231 118.954 118.700 0.038 0.000 2.182 146 N HA -0.040 4.699 4.740 -0.000 0.000 0.186 146 N C 1.766 177.293 175.510 0.029 0.000 1.036 146 N CA 1.389 54.465 53.050 0.043 0.000 0.850 146 N CB -0.139 38.408 38.487 0.099 0.000 1.010 146 N HN 0.415 nan 8.380 nan 0.000 0.432 147 V N -0.330 119.609 119.914 0.043 0.000 3.186 147 V HA -0.072 4.048 4.120 -0.000 0.000 0.270 147 V C 1.684 177.602 176.094 -0.293 0.000 1.149 147 V CA 1.354 63.573 62.300 -0.136 0.000 1.160 147 V CB -0.782 30.977 31.823 -0.105 0.000 0.758 147 V HN 0.179 nan 8.190 nan 0.000 0.516 148 T N 0.663 115.149 114.554 -0.113 0.000 2.770 148 T HA -0.078 4.272 4.350 -0.000 0.000 0.258 148 T C 1.597 176.248 174.700 -0.082 0.000 1.039 148 T CA 1.742 63.795 62.100 -0.078 0.000 1.143 148 T CB -0.350 68.552 68.868 0.056 0.000 0.866 148 T HN 0.554 nan 8.240 nan 0.000 0.428 149 D N 0.861 121.234 120.400 -0.046 0.000 2.117 149 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 149 D C 2.168 178.437 176.300 -0.051 0.000 0.987 149 D CA 0.985 54.964 54.000 -0.035 0.000 0.829 149 D CB -0.290 40.499 40.800 -0.018 0.000 0.961 149 D HN 0.305 nan 8.370 nan 0.000 0.460 150 E N 0.326 120.481 120.200 -0.075 0.000 2.204 150 E HA -0.055 4.294 4.350 -0.000 0.000 0.194 150 E C 2.154 178.685 176.600 -0.115 0.000 0.989 150 E CA 0.361 56.709 56.400 -0.088 0.000 0.824 150 E CB -0.195 29.441 29.700 -0.106 0.000 0.756 150 E HN 0.250 nan 8.360 nan 0.000 0.477 151 L N -0.395 120.723 121.223 -0.176 0.000 2.044 151 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 151 L C 2.616 179.447 176.870 -0.066 0.000 1.075 151 L CA 1.329 56.051 54.840 -0.196 0.000 0.747 151 L CB -0.353 41.508 42.059 -0.331 0.000 0.903 151 L HN 0.117 nan 8.230 nan 0.000 0.435 152 R N 0.443 120.921 120.500 -0.037 0.000 2.119 152 R HA -0.205 4.135 4.340 -0.000 0.000 0.246 152 R C 2.361 178.685 176.300 0.040 0.000 1.146 152 R CA 1.710 57.831 56.100 0.034 0.000 0.962 152 R CB -0.146 30.167 30.300 0.022 0.000 0.863 152 R HN 0.230 nan 8.270 nan 0.000 0.442 153 R N -0.754 119.752 120.500 0.009 0.000 2.073 153 R HA 0.012 4.352 4.340 -0.000 0.000 0.229 153 R C 2.396 178.705 176.300 0.015 0.000 1.120 153 R CA 1.744 57.849 56.100 0.008 0.000 0.967 153 R CB -0.215 30.081 30.300 -0.007 0.000 0.862 153 R HN 0.299 nan 8.270 nan 0.000 0.436 154 M N -0.037 119.577 119.600 0.023 0.000 2.296 154 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 154 M C 1.734 178.080 176.300 0.077 0.000 1.064 154 M CA 1.811 57.142 55.300 0.052 0.000 1.109 154 M CB 0.021 32.686 32.600 0.108 0.000 1.396 154 M HN 0.248 nan 8.290 nan 0.000 0.430 155 T N -5.283 109.323 114.554 0.086 0.000 2.959 155 T HA 0.375 4.725 4.350 -0.000 0.000 0.254 155 T C 1.454 176.131 174.700 -0.038 0.000 1.003 155 T CA 0.466 62.611 62.100 0.076 0.000 0.950 155 T CB 0.565 69.583 68.868 0.250 0.000 1.090 155 T HN 0.488 nan 8.240 nan 0.000 0.503 156 G N 0.913 109.727 108.800 0.024 0.000 2.189 156 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.267 156 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.267 156 G C 0.029 174.995 174.900 0.109 0.000 0.975 156 G CA 0.191 45.307 45.100 0.027 0.000 0.644 156 G HN 0.673 nan 8.290 nan 0.000 0.537 157 Y N 1.436 121.796 120.300 0.100 0.000 2.811 157 Y HA 0.035 4.585 4.550 -0.000 0.000 0.334 157 Y C 1.967 178.009 175.900 0.237 0.000 1.247 157 Y CA 0.726 58.980 58.100 0.257 0.000 1.526 157 Y CB 0.468 39.002 38.460 0.123 0.000 1.284 157 Y HN 0.187 nan 8.280 nan 0.000 0.586 158 D N 1.953 122.605 120.400 0.420 0.000 2.149 158 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 158 D C 0.793 177.160 176.300 0.111 0.000 0.990 158 D CA 1.601 55.657 54.000 0.092 0.000 0.839 158 D CB 0.222 40.952 40.800 -0.118 0.000 0.948 158 D HN 0.468 nan 8.370 nan 0.000 0.460 159 R N -0.151 120.452 120.500 0.171 0.000 2.626 159 R HA 0.387 4.727 4.340 -0.000 0.000 0.274 159 R C -1.974 174.374 176.300 0.080 0.000 1.031 159 R CA -0.565 55.589 56.100 0.090 0.000 0.898 159 R CB 2.249 32.571 30.300 0.037 0.000 1.222 159 R HN -0.095 nan 8.270 nan 0.000 0.455 160 V N 4.953 124.878 119.914 0.019 0.000 2.577 160 V HA 0.568 4.688 4.120 -0.000 0.000 0.303 160 V C -1.061 175.004 176.094 -0.050 0.000 1.042 160 V CA -0.667 61.612 62.300 -0.034 0.000 0.872 160 V CB 1.914 33.700 31.823 -0.062 0.000 0.998 160 V HN 0.911 nan 8.190 nan 0.000 0.423 161 M N 5.095 124.629 119.600 -0.109 0.000 2.705 161 M HA 0.889 5.368 4.480 -0.000 0.000 0.311 161 M C -0.214 175.946 176.300 -0.232 0.000 1.214 161 M CA -0.611 54.584 55.300 -0.174 0.000 0.920 161 M CB 2.303 34.750 32.600 -0.255 0.000 1.687 161 M HN 0.850 nan 8.290 nan 0.000 0.481 162 A N 1.517 124.200 122.820 -0.227 0.000 2.332 162 A HA 0.669 4.989 4.320 -0.000 0.000 0.300 162 A C -1.826 175.557 177.584 -0.336 0.000 1.153 162 A CA -0.486 51.391 52.037 -0.267 0.000 0.764 162 A CB 0.421 19.424 19.000 0.004 0.000 1.174 162 A HN 0.803 nan 8.150 nan 0.000 0.467 163 Y N 1.554 121.639 120.300 -0.358 0.000 2.323 163 Y HA 0.502 5.052 4.550 -0.000 0.000 0.331 163 Y C 0.883 176.343 175.900 -0.734 0.000 1.092 163 Y CA -0.685 57.096 58.100 -0.532 0.000 1.150 163 Y CB 1.485 39.537 38.460 -0.680 0.000 1.200 163 Y HN 0.582 nan 8.280 nan 0.000 0.472 164 R N 3.393 123.553 120.500 -0.565 0.000 2.255 164 R HA 0.337 4.677 4.340 -0.000 0.000 0.326 164 R C -1.503 174.334 176.300 -0.772 0.000 0.986 164 R CA -0.632 54.997 56.100 -0.784 0.000 0.847 164 R CB 1.028 30.944 30.300 -0.641 0.000 1.111 164 R HN 0.573 nan 8.270 nan 0.000 0.452 165 F N 2.949 122.566 119.950 -0.554 0.000 2.404 165 F HA 0.333 4.860 4.527 -0.000 0.000 0.345 165 F C 1.348 176.922 175.800 -0.376 0.000 1.110 165 F CA -0.555 57.197 58.000 -0.413 0.000 1.130 165 F CB 0.791 39.606 39.000 -0.308 0.000 1.129 165 F HN 0.212 nan 8.300 nan 0.000 0.500 166 R N 0.964 121.425 120.500 -0.065 0.000 2.527 166 R HA 0.116 4.456 4.340 -0.000 0.000 0.236 166 R C 1.166 177.476 176.300 0.017 0.000 1.257 166 R CA -0.522 55.550 56.100 -0.045 0.000 1.088 166 R CB -0.091 30.189 30.300 -0.034 0.000 1.396 166 R HN 0.726 nan 8.270 nan 0.000 0.571 167 H N 1.106 120.158 119.070 -0.031 0.000 2.326 167 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 167 H C 1.129 176.441 175.328 -0.025 0.000 1.081 167 H CA 2.393 58.432 56.048 -0.015 0.000 1.334 167 H CB 0.035 29.792 29.762 -0.008 0.000 1.385 167 H HN 0.576 nan 8.280 nan 0.000 0.504 168 D N -1.001 119.440 120.400 0.068 0.000 2.378 168 D HA -0.097 4.542 4.640 -0.000 0.000 0.227 168 D C 0.145 176.398 176.300 -0.079 0.000 1.012 168 D CA 1.035 55.032 54.000 -0.005 0.000 0.905 168 D CB -0.020 40.790 40.800 0.016 0.000 0.895 168 D HN 0.421 nan 8.370 nan 0.000 0.532 169 D N -0.567 119.775 120.400 -0.097 0.000 2.876 169 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 169 D C -0.368 175.857 176.300 -0.125 0.000 1.014 169 D CA 1.060 54.966 54.000 -0.156 0.000 1.012 169 D CB -1.693 38.974 40.800 -0.222 0.000 1.080 169 D HN 0.475 nan 8.370 nan 0.000 0.438 170 S N -0.122 115.530 115.700 -0.081 0.000 2.549 170 S HA 0.533 5.002 4.470 -0.000 0.000 0.283 170 S C 0.776 175.221 174.600 -0.258 0.000 1.320 170 S CA 0.180 58.289 58.200 -0.150 0.000 1.058 170 S CB 1.972 65.185 63.200 0.021 0.000 0.882 170 S HN 0.383 nan 8.310 nan 0.000 0.498 171 G N 0.788 109.200 108.800 -0.647 0.000 2.410 171 G HA2 0.512 4.471 3.960 -0.000 0.000 0.330 171 G HA3 0.512 4.471 3.960 -0.000 0.000 0.330 171 G C -1.065 173.325 174.900 -0.850 0.000 1.142 171 G CA -0.774 43.835 45.100 -0.818 0.000 0.902 171 G HN 0.836 nan 8.290 nan 0.000 0.491 172 E N 0.858 120.718 120.200 -0.566 0.000 2.222 172 E HA 0.419 4.769 4.350 -0.000 0.000 0.267 172 E C -0.923 175.579 176.600 -0.164 0.000 0.884 172 E CA -0.676 55.512 56.400 -0.354 0.000 0.764 172 E CB 2.327 31.854 29.700 -0.287 0.000 1.169 172 E HN 0.198 nan 8.360 nan 0.000 0.413 173 V N 5.247 125.151 119.914 -0.016 0.000 2.427 173 V HA 0.046 4.165 4.120 -0.000 0.000 0.268 173 V C 0.997 177.096 176.094 0.008 0.000 1.046 173 V CA 0.163 62.528 62.300 0.108 0.000 0.970 173 V CB 0.923 32.847 31.823 0.169 0.000 1.001 173 V HN 0.666 nan 8.190 nan 0.000 0.476 174 V N 2.195 122.097 119.914 -0.020 0.000 3.502 174 V HA 0.798 4.917 4.120 -0.000 0.000 0.288 174 V C 0.421 176.508 176.094 -0.011 0.000 1.461 174 V CA 0.575 62.853 62.300 -0.036 0.000 1.029 174 V CB 0.345 32.123 31.823 -0.074 0.000 0.843 174 V HN 0.840 nan 8.190 nan 0.000 0.438 175 A N 0.144 122.961 122.820 -0.005 0.000 2.549 175 A HA 0.861 5.180 4.320 -0.000 0.000 0.297 175 A C -0.955 176.632 177.584 0.005 0.000 1.061 175 A CA -0.297 51.748 52.037 0.012 0.000 0.690 175 A CB 2.036 21.065 19.000 0.050 0.000 1.287 175 A HN 0.433 nan 8.150 nan 0.000 0.402 176 E N 0.378 120.581 120.200 0.005 0.000 2.451 176 E HA 0.469 4.819 4.350 -0.000 0.000 0.295 176 E C -1.559 175.037 176.600 -0.007 0.000 0.966 176 E CA -0.107 56.292 56.400 -0.002 0.000 0.808 176 E CB 1.598 31.301 29.700 0.005 0.000 1.242 176 E HN 1.095 nan 8.360 nan 0.000 0.412 177 S N 4.799 120.494 115.700 -0.008 0.000 2.745 177 S HA 0.494 4.963 4.470 -0.000 0.000 0.283 177 S C -0.107 174.490 174.600 -0.005 0.000 1.170 177 S CA -0.957 57.238 58.200 -0.009 0.000 1.119 177 S CB 0.776 63.972 63.200 -0.006 0.000 1.035 177 S HN 0.608 nan 8.310 nan 0.000 0.483 178 R N 2.579 123.068 120.500 -0.019 0.000 2.603 178 R HA 0.600 4.940 4.340 -0.000 0.000 0.231 178 R C -0.201 176.088 176.300 -0.018 0.000 1.263 178 R CA -1.046 55.041 56.100 -0.022 0.000 1.102 178 R CB 0.531 30.796 30.300 -0.058 0.000 1.527 178 R HN 0.745 nan 8.270 nan 0.000 0.554 179 R N -0.395 120.090 120.500 -0.024 0.000 2.598 179 R HA 0.247 4.587 4.340 -0.000 0.000 0.279 179 R C 0.289 176.565 176.300 -0.039 0.000 0.984 179 R CA -0.695 55.390 56.100 -0.025 0.000 0.999 179 R CB 1.208 31.495 30.300 -0.020 0.000 1.114 179 R HN 0.679 nan 8.270 nan 0.000 0.493 180 E N 0.503 120.683 120.200 -0.034 0.000 2.284 180 E HA -0.305 4.044 4.350 -0.000 0.000 0.200 180 E C 0.813 177.385 176.600 -0.047 0.000 1.008 180 E CA 1.879 58.256 56.400 -0.039 0.000 0.829 180 E CB -0.056 29.625 29.700 -0.030 0.000 0.744 180 E HN 0.725 nan 8.360 nan 0.000 0.491 181 D N 0.453 120.826 120.400 -0.045 0.000 2.103 181 D HA -0.089 4.550 4.640 -0.000 0.000 0.199 181 D C 0.646 176.908 176.300 -0.064 0.000 0.978 181 D CA 0.625 54.596 54.000 -0.048 0.000 0.829 181 D CB 0.025 40.801 40.800 -0.041 0.000 0.981 181 D HN 0.006 nan 8.370 nan 0.000 0.464 182 L N 1.075 122.253 121.223 -0.074 0.000 2.479 182 L HA 0.129 4.469 4.340 -0.000 0.000 0.270 182 L C 1.056 177.832 176.870 -0.155 0.000 1.236 182 L CA -0.257 54.519 54.840 -0.107 0.000 0.823 182 L CB 0.194 42.190 42.059 -0.104 0.000 1.098 182 L HN 0.208 nan 8.230 nan 0.000 0.500 183 E N -0.141 119.916 120.200 -0.238 0.000 2.314 183 E HA 0.297 4.647 4.350 -0.000 0.000 0.262 183 E C -0.794 175.549 176.600 -0.429 0.000 1.093 183 E CA -0.799 55.420 56.400 -0.302 0.000 0.908 183 E CB 1.282 30.791 29.700 -0.319 0.000 1.091 183 E HN 0.371 nan 8.360 nan 0.000 0.425 184 S N 0.238 115.741 115.700 -0.329 0.000 2.562 184 S HA 0.181 4.651 4.470 -0.000 0.000 0.275 184 S C -0.850 173.564 174.600 -0.309 0.000 1.281 184 S CA -0.502 57.538 58.200 -0.266 0.000 1.045 184 S CB 0.129 63.251 63.200 -0.130 0.000 0.962 184 S HN 0.507 nan 8.310 nan 0.000 0.503 185 Y N 2.888 123.164 120.300 -0.041 0.000 2.660 185 Y HA 0.399 4.949 4.550 -0.000 0.000 0.254 185 Y C 0.368 176.258 175.900 -0.016 0.000 1.176 185 Y CA -0.552 57.529 58.100 -0.030 0.000 1.195 185 Y CB 0.006 38.449 38.460 -0.028 0.000 1.190 185 Y HN 0.443 nan 8.280 nan 0.000 0.535 186 L N 0.306 121.582 121.223 0.089 0.000 2.490 186 L HA 0.235 4.575 4.340 -0.000 0.000 0.274 186 L C 1.257 178.151 176.870 0.040 0.000 1.201 186 L CA 0.778 55.648 54.840 0.051 0.000 0.869 186 L CB 0.441 42.508 42.059 0.012 0.000 1.123 186 L HN 0.621 nan 8.230 nan 0.000 0.484 187 G N 2.473 111.290 108.800 0.028 0.000 2.221 187 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.265 187 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.265 187 G C 0.131 175.051 174.900 0.035 0.000 1.041 187 G CA -0.167 44.940 45.100 0.010 0.000 0.807 187 G HN 0.597 nan 8.290 nan 0.000 0.502 188 Q N -0.229 119.604 119.800 0.055 0.000 2.243 188 Q HA 0.457 4.797 4.340 -0.000 0.000 0.252 188 Q C 0.196 176.180 176.000 -0.027 0.000 0.909 188 Q CA -0.358 55.510 55.803 0.108 0.000 0.922 188 Q CB 0.695 29.511 28.738 0.130 0.000 1.215 188 Q HN 0.389 nan 8.270 nan 0.000 0.427 189 R N 3.271 123.680 120.500 -0.151 0.000 2.534 189 R HA 0.394 4.734 4.340 -0.000 0.000 0.301 189 R C -1.022 174.955 176.300 -0.538 0.000 0.961 189 R CA -0.651 55.016 56.100 -0.721 0.000 0.871 189 R CB 1.249 30.488 30.300 -1.769 0.000 1.170 189 R HN 0.554 nan 8.270 nan 0.000 0.446 190 Y N -0.651 119.347 120.300 -0.504 0.000 2.457 190 Y HA 0.592 5.141 4.550 -0.000 0.000 0.343 190 Y C -2.859 172.973 175.900 -0.114 0.000 0.994 190 Y CA -3.500 54.456 58.100 -0.240 0.000 1.031 190 Y CB 1.260 39.607 38.460 -0.189 0.000 1.246 190 Y HN 0.365 nan 8.280 nan 0.000 0.449 191 P HA 0.051 nan 4.420 nan 0.000 0.266 191 P C 0.456 177.770 177.300 0.023 0.000 1.193 191 P CA 0.737 63.910 63.100 0.123 0.000 0.770 191 P CB 0.963 32.741 31.700 0.130 0.000 0.836 192 A N 2.308 125.109 122.820 -0.031 0.000 2.131 192 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 192 A C 1.964 179.503 177.584 -0.074 0.000 1.158 192 A CA 1.996 53.977 52.037 -0.094 0.000 0.665 192 A CB -1.423 17.508 19.000 -0.115 0.000 0.795 192 A HN 0.607 nan 8.150 nan 0.000 0.460 193 S N -0.619 115.068 115.700 -0.022 0.000 2.527 193 S HA -0.064 4.406 4.470 -0.000 0.000 0.222 193 S C 1.068 175.665 174.600 -0.004 0.000 0.985 193 S CA 0.964 59.153 58.200 -0.018 0.000 0.921 193 S CB -0.312 62.890 63.200 0.003 0.000 0.772 193 S HN 0.436 nan 8.310 nan 0.000 0.529 194 D N 1.826 122.248 120.400 0.037 0.000 2.218 194 D HA 0.086 4.726 4.640 -0.000 0.000 0.204 194 D C 0.322 176.573 176.300 -0.083 0.000 0.976 194 D CA 0.911 54.920 54.000 0.015 0.000 0.853 194 D CB -0.124 40.729 40.800 0.090 0.000 0.939 194 D HN 0.534 nan 8.370 nan 0.000 0.481 195 I N 1.101 121.609 120.570 -0.104 0.000 2.503 195 I HA 0.258 4.428 4.170 -0.000 0.000 0.277 195 I C -2.334 173.666 176.117 -0.195 0.000 1.078 195 I CA -2.129 59.038 61.300 -0.221 0.000 1.184 195 I CB 1.416 39.220 38.000 -0.326 0.000 1.353 195 I HN -0.341 nan 8.210 nan 0.000 0.490 196 P HA -0.088 nan 4.420 nan 0.000 0.269 196 P C 1.021 178.252 177.300 -0.114 0.000 1.205 196 P CA 0.281 63.323 63.100 -0.096 0.000 0.780 196 P CB 0.852 32.519 31.700 -0.056 0.000 0.858 197 A N 1.854 124.621 122.820 -0.088 0.000 1.940 197 A HA -0.292 4.028 4.320 -0.000 0.000 0.221 197 A C 2.030 179.557 177.584 -0.094 0.000 1.190 197 A CA 2.214 54.195 52.037 -0.092 0.000 0.647 197 A CB -1.245 17.715 19.000 -0.066 0.000 0.821 197 A HN 0.692 nan 8.150 nan 0.000 0.457 198 Q N -1.708 118.048 119.800 -0.073 0.000 2.319 198 Q HA 0.417 4.757 4.340 -0.000 0.000 0.202 198 Q C 1.666 177.642 176.000 -0.040 0.000 0.896 198 Q CA 0.591 56.352 55.803 -0.071 0.000 0.942 198 Q CB -0.062 28.633 28.738 -0.071 0.000 1.083 198 Q HN 0.629 nan 8.270 nan 0.000 0.510 199 A N 0.436 123.220 122.820 -0.060 0.000 1.887 199 A HA -0.038 4.282 4.320 -0.000 0.000 0.212 199 A C 1.943 179.490 177.584 -0.061 0.000 1.198 199 A CA 0.767 52.779 52.037 -0.041 0.000 0.628 199 A CB -0.268 18.623 19.000 -0.182 0.000 0.847 199 A HN 0.310 nan 8.150 nan 0.000 0.449 200 R N -0.146 120.238 120.500 -0.193 0.000 2.193 200 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 200 R C 2.306 178.552 176.300 -0.091 0.000 1.110 200 R CA 1.427 57.398 56.100 -0.214 0.000 0.988 200 R CB -0.203 29.923 30.300 -0.291 0.000 0.871 200 R HN 0.602 nan 8.270 nan 0.000 0.458 201 R N 0.248 120.704 120.500 -0.072 0.000 2.055 201 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 201 R C 2.004 178.265 176.300 -0.065 0.000 1.135 201 R CA 1.135 57.193 56.100 -0.071 0.000 0.959 201 R CB -0.331 29.913 30.300 -0.093 0.000 0.854 201 R HN 0.247 nan 8.270 nan 0.000 0.431 202 L N 0.244 121.442 121.223 -0.041 0.000 2.275 202 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 202 L C 1.828 178.653 176.870 -0.074 0.000 1.119 202 L CA 0.868 55.646 54.840 -0.104 0.000 0.790 202 L CB -0.253 41.762 42.059 -0.073 0.000 0.919 202 L HN 0.259 nan 8.230 nan 0.000 0.443 203 Y N -0.757 119.465 120.300 -0.130 0.000 2.516 203 Y HA -0.059 4.490 4.550 -0.000 0.000 0.291 203 Y C 2.169 178.029 175.900 -0.066 0.000 1.131 203 Y CA 0.742 58.792 58.100 -0.082 0.000 1.281 203 Y CB -0.043 38.386 38.460 -0.052 0.000 1.013 203 Y HN 0.112 nan 8.280 nan 0.000 0.554 204 I N -1.072 119.523 120.570 0.042 0.000 2.628 204 I HA -0.156 4.014 4.170 -0.000 0.000 0.255 204 I C 1.649 177.737 176.117 -0.048 0.000 1.119 204 I CA 0.658 61.962 61.300 0.006 0.000 1.448 204 I CB -0.245 37.752 38.000 -0.005 0.000 1.133 204 I HN 0.096 nan 8.210 nan 0.000 0.438 205 Q N 0.772 120.496 119.800 -0.126 0.000 2.482 205 Q HA 0.043 4.383 4.340 -0.000 0.000 0.209 205 Q C -0.204 175.625 176.000 -0.285 0.000 0.961 205 Q CA 0.552 56.228 55.803 -0.213 0.000 0.945 205 Q CB 0.035 28.530 28.738 -0.406 0.000 1.012 205 Q HN 0.360 nan 8.270 nan 0.000 0.515 206 N N -0.098 118.467 118.700 -0.225 0.000 2.558 206 N HA 0.161 4.900 4.740 -0.000 0.000 0.285 206 N C -2.303 173.127 175.510 -0.133 0.000 1.112 206 N CA -1.265 51.662 53.050 -0.205 0.000 0.857 206 N CB 2.055 40.362 38.487 -0.300 0.000 1.376 206 N HN -0.210 nan 8.380 nan 0.000 0.526 207 P HA -0.066 nan 4.420 nan 0.000 0.215 207 P C 0.489 177.773 177.300 -0.027 0.000 1.157 207 P CA 1.130 64.225 63.100 -0.009 0.000 0.868 207 P CB 0.289 32.008 31.700 0.033 0.000 0.788 208 I N -2.631 117.913 120.570 -0.044 0.000 2.493 208 I HA 0.706 4.876 4.170 -0.000 0.000 0.298 208 I C -0.512 175.526 176.117 -0.132 0.000 0.998 208 I CA -1.427 59.841 61.300 -0.053 0.000 1.137 208 I CB 1.812 39.823 38.000 0.019 0.000 1.310 208 I HN -0.264 nan 8.210 nan 0.000 0.445 209 R N 5.452 125.853 120.500 -0.165 0.000 2.514 209 R HA 0.658 4.997 4.340 -0.000 0.000 0.296 209 R C -2.251 173.986 176.300 -0.105 0.000 1.012 209 R CA -0.581 55.401 56.100 -0.198 0.000 0.897 209 R CB 1.257 31.311 30.300 -0.411 0.000 1.184 209 R HN 0.907 nan 8.270 nan 0.000 0.440 210 L N 6.287 127.481 121.223 -0.049 0.000 2.349 210 L HA 0.600 4.940 4.340 -0.000 0.000 0.278 210 L C -0.961 175.905 176.870 -0.008 0.000 0.996 210 L CA -0.795 54.043 54.840 -0.003 0.000 0.825 210 L CB 1.280 43.371 42.059 0.054 0.000 1.243 210 L HN 0.702 nan 8.230 nan 0.000 0.412 211 I N 4.726 125.279 120.570 -0.029 0.000 2.328 211 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 211 I C 0.981 177.043 176.117 -0.092 0.000 1.012 211 I CA -0.279 60.980 61.300 -0.069 0.000 1.195 211 I CB 1.760 39.722 38.000 -0.063 0.000 1.350 211 I HN 0.736 nan 8.210 nan 0.000 0.464 212 A N 4.639 127.356 122.820 -0.172 0.000 1.855 212 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 212 A C 0.718 178.217 177.584 -0.141 0.000 1.191 212 A CA 1.464 53.334 52.037 -0.279 0.000 0.613 212 A CB -0.029 18.531 19.000 -0.733 0.000 0.829 212 A HN 0.692 nan 8.150 nan 0.000 0.442 213 D N -2.206 118.128 120.400 -0.111 0.000 2.896 213 D HA 0.457 5.097 4.640 -0.000 0.000 0.241 213 D C 0.413 176.720 176.300 0.012 0.000 1.188 213 D CA -0.386 53.614 54.000 -0.001 0.000 0.879 213 D CB 2.175 43.027 40.800 0.087 0.000 1.553 213 D HN -0.124 nan 8.370 nan 0.000 0.515 214 V N 2.429 122.383 119.914 0.067 0.000 2.788 214 V HA 0.043 4.162 4.120 -0.000 0.000 0.251 214 V C 1.883 178.125 176.094 0.246 0.000 1.068 214 V CA 1.616 63.987 62.300 0.118 0.000 1.090 214 V CB -0.047 31.810 31.823 0.056 0.000 0.710 214 V HN 0.690 nan 8.190 nan 0.000 0.467 215 A N -0.099 122.837 122.820 0.193 0.000 2.359 215 A HA 0.202 4.521 4.320 -0.000 0.000 0.240 215 A C 0.728 178.428 177.584 0.194 0.000 1.306 215 A CA -0.310 51.824 52.037 0.161 0.000 0.898 215 A CB -0.849 18.209 19.000 0.098 0.000 0.956 215 A HN 0.631 nan 8.150 nan 0.000 0.497 216 Y N -1.224 119.104 120.300 0.048 0.000 2.385 216 Y HA 0.502 5.051 4.550 -0.000 0.000 0.346 216 Y C 0.351 176.284 175.900 0.055 0.000 1.270 216 Y CA -0.392 57.742 58.100 0.057 0.000 1.472 216 Y CB -0.041 38.463 38.460 0.073 0.000 1.354 216 Y HN -0.015 nan 8.280 nan 0.000 0.611 217 T N 4.402 118.819 114.554 -0.228 0.000 2.842 217 T HA 0.450 4.800 4.350 -0.000 0.000 0.308 217 T C -2.824 171.688 174.700 -0.313 0.000 1.041 217 T CA -2.226 59.685 62.100 -0.314 0.000 0.964 217 T CB -0.256 68.554 68.868 -0.096 0.000 0.972 217 T HN 0.568 nan 8.240 nan 0.000 0.460 218 P HA 0.087 nan 4.420 nan 0.000 0.261 218 P C -0.490 176.789 177.300 -0.035 0.000 1.173 218 P CA -0.067 62.920 63.100 -0.188 0.000 0.760 218 P CB 0.234 31.841 31.700 -0.155 0.000 0.783 219 M N 4.536 124.155 119.600 0.032 0.000 3.028 219 M HA 0.159 4.639 4.480 -0.000 0.000 0.296 219 M C 0.075 176.334 176.300 -0.070 0.000 1.314 219 M CA -0.172 55.137 55.300 0.014 0.000 1.383 219 M CB -0.512 32.114 32.600 0.043 0.000 1.128 219 M HN 0.113 nan 8.290 nan 0.000 0.544 220 R N 0.974 121.397 120.500 -0.128 0.000 2.566 220 R HA 0.120 4.460 4.340 -0.000 0.000 0.273 220 R C -0.113 175.735 176.300 -0.754 0.000 0.981 220 R CA 0.161 56.024 56.100 -0.395 0.000 1.091 220 R CB -0.164 29.901 30.300 -0.391 0.000 0.924 220 R HN 0.557 nan 8.270 nan 0.000 0.411 221 V N 1.452 120.984 119.914 -0.636 0.000 2.509 221 V HA 0.561 4.681 4.120 -0.000 0.000 0.284 221 V C -0.531 175.151 176.094 -0.687 0.000 1.047 221 V CA -0.570 61.425 62.300 -0.509 0.000 0.952 221 V CB 0.699 32.409 31.823 -0.187 0.000 0.988 221 V HN 0.443 nan 8.190 nan 0.000 0.469 222 F N 3.401 123.418 119.950 0.111 0.000 2.576 222 F HA 0.758 5.285 4.527 -0.000 0.000 0.313 222 F C -2.350 173.536 175.800 0.144 0.000 1.078 222 F CA -2.763 55.313 58.000 0.126 0.000 0.921 222 F CB 1.738 40.789 39.000 0.085 0.000 1.232 222 F HN 0.354 nan 8.300 nan 0.000 0.459 223 P HA 0.159 nan 4.420 nan 0.000 0.270 223 P C -0.059 177.467 177.300 0.376 0.000 1.223 223 P CA 0.150 63.462 63.100 0.353 0.000 0.785 223 P CB 0.872 32.716 31.700 0.241 0.000 0.923 224 A N 2.529 125.530 122.820 0.302 0.000 1.984 224 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 224 A C 0.531 178.137 177.584 0.035 0.000 1.173 224 A CA 1.121 53.290 52.037 0.219 0.000 0.673 224 A CB -0.275 18.859 19.000 0.222 0.000 0.830 224 A HN 0.402 nan 8.150 nan 0.000 0.453 225 L N 1.046 122.245 121.223 -0.040 0.000 2.305 225 L HA 0.291 4.630 4.340 -0.000 0.000 0.284 225 L C -0.516 176.163 176.870 -0.319 0.000 1.013 225 L CA -0.557 54.168 54.840 -0.192 0.000 0.819 225 L CB 0.804 42.811 42.059 -0.088 0.000 1.227 225 L HN 0.310 nan 8.230 nan 0.000 0.417 226 N N 5.875 124.174 118.700 -0.668 0.000 2.434 226 N HA 0.044 4.784 4.740 -0.000 0.000 0.268 226 N C -1.706 173.695 175.510 -0.181 0.000 1.256 226 N CA -0.947 51.765 53.050 -0.563 0.000 0.914 226 N CB 1.045 39.134 38.487 -0.662 0.000 1.088 226 N HN 0.291 nan 8.380 nan 0.000 0.478 227 P HA -0.185 nan 4.420 nan 0.000 0.216 227 P C 0.812 178.102 177.300 -0.016 0.000 1.157 227 P CA 1.329 64.420 63.100 -0.015 0.000 0.880 227 P CB 0.258 31.974 31.700 0.026 0.000 0.791 228 E N -1.270 118.928 120.200 -0.003 0.000 2.085 228 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 228 E C 2.029 178.621 176.600 -0.013 0.000 0.994 228 E CA 1.827 58.228 56.400 0.002 0.000 0.801 228 E CB -1.224 28.489 29.700 0.021 0.000 0.743 228 E HN 0.292 nan 8.360 nan 0.000 0.453 229 T N -1.479 113.056 114.554 -0.033 0.000 3.034 229 T HA 0.014 4.364 4.350 -0.000 0.000 0.248 229 T C 0.685 175.360 174.700 -0.042 0.000 1.040 229 T CA 0.724 62.804 62.100 -0.033 0.000 1.107 229 T CB -0.084 68.764 68.868 -0.034 0.000 0.932 229 T HN 0.309 nan 8.240 nan 0.000 0.474 230 N N 0.697 119.357 118.700 -0.066 0.000 2.815 230 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 230 N C -1.163 174.309 175.510 -0.064 0.000 1.114 230 N CA 0.430 53.443 53.050 -0.061 0.000 0.717 230 N CB -0.516 37.951 38.487 -0.032 0.000 1.074 230 N HN 0.608 nan 8.380 nan 0.000 0.555 231 E N -0.219 119.923 120.200 -0.096 0.000 2.356 231 E HA 0.309 4.659 4.350 -0.000 0.000 0.275 231 E C -0.845 175.669 176.600 -0.143 0.000 0.904 231 E CA -0.619 55.733 56.400 -0.079 0.000 0.757 231 E CB 1.827 31.508 29.700 -0.033 0.000 1.232 231 E HN 0.151 nan 8.360 nan 0.000 0.442 232 S N 1.178 116.816 115.700 -0.102 0.000 2.560 232 S HA 0.070 4.540 4.470 -0.000 0.000 0.276 232 S C -0.341 174.212 174.600 -0.077 0.000 1.350 232 S CA -0.279 57.852 58.200 -0.116 0.000 1.024 232 S CB 0.152 63.329 63.200 -0.039 0.000 0.864 232 S HN 0.285 nan 8.310 nan 0.000 0.536 233 F N 2.678 122.670 119.950 0.069 0.000 2.541 233 F HA 0.139 4.666 4.527 -0.000 0.000 0.378 233 F C 1.073 176.936 175.800 0.106 0.000 1.068 233 F CA -0.235 57.842 58.000 0.127 0.000 1.199 233 F CB 0.247 39.339 39.000 0.153 0.000 1.091 233 F HN 0.470 nan 8.300 nan 0.000 0.555 234 D N 5.271 125.916 120.400 0.409 0.000 2.336 234 D HA 0.169 4.809 4.640 -0.000 0.000 0.249 234 D C 0.023 176.515 176.300 0.320 0.000 1.213 234 D CA 0.034 54.249 54.000 0.359 0.000 0.870 234 D CB 0.564 41.623 40.800 0.431 0.000 1.076 234 D HN 0.529 nan 8.370 nan 0.000 0.483 235 L N 3.073 124.377 121.223 0.135 0.000 3.141 235 L HA 0.119 4.459 4.340 -0.000 0.000 0.267 235 L C 1.974 178.833 176.870 -0.019 0.000 1.281 235 L CA -0.324 54.473 54.840 -0.073 0.000 1.037 235 L CB 0.298 42.267 42.059 -0.149 0.000 1.407 235 L HN 0.197 nan 8.230 nan 0.000 0.566 236 S N -0.153 115.580 115.700 0.055 0.000 2.359 236 S HA -0.208 4.262 4.470 -0.000 0.000 0.223 236 S C 1.267 175.654 174.600 -0.354 0.000 1.039 236 S CA 1.748 59.851 58.200 -0.162 0.000 1.042 236 S CB -0.285 62.732 63.200 -0.304 0.000 0.915 236 S HN 0.490 nan 8.310 nan 0.000 0.439 237 Y N 1.773 121.858 120.300 -0.359 0.000 2.496 237 Y HA 0.293 4.843 4.550 -0.000 0.000 0.313 237 Y C 1.162 176.740 175.900 -0.537 0.000 1.184 237 Y CA -0.382 57.411 58.100 -0.510 0.000 1.275 237 Y CB -0.165 37.876 38.460 -0.698 0.000 1.103 237 Y HN 0.131 nan 8.280 nan 0.000 0.513 238 S N -0.502 115.107 115.700 -0.152 0.000 2.610 238 S HA 0.266 4.736 4.470 -0.000 0.000 0.273 238 S C 0.879 175.447 174.600 -0.053 0.000 1.274 238 S CA -0.577 57.610 58.200 -0.022 0.000 1.023 238 S CB 1.457 64.622 63.200 -0.059 0.000 0.962 238 S HN 0.096 nan 8.310 nan 0.000 0.523 239 V N 3.039 122.951 119.914 -0.004 0.000 3.621 239 V HA 0.260 4.380 4.120 -0.000 0.000 0.263 239 V C 1.024 177.118 176.094 0.001 0.000 1.272 239 V CA 0.277 62.581 62.300 0.007 0.000 1.080 239 V CB -0.638 31.228 31.823 0.072 0.000 0.816 239 V HN 0.808 nan 8.190 nan 0.000 0.451 240 L N 0.429 121.633 121.223 -0.031 0.000 2.910 240 L HA 0.368 4.707 4.340 -0.000 0.000 0.252 240 L C 1.080 177.924 176.870 -0.044 0.000 1.195 240 L CA -0.206 54.596 54.840 -0.062 0.000 1.003 240 L CB 0.138 42.116 42.059 -0.136 0.000 1.328 240 L HN 0.191 nan 8.230 nan 0.000 0.540 241 R N 1.799 122.275 120.500 -0.040 0.000 2.640 241 R HA 0.061 4.401 4.340 -0.000 0.000 0.270 241 R C 0.646 176.952 176.300 0.009 0.000 1.024 241 R CA 0.228 56.312 56.100 -0.027 0.000 1.085 241 R CB 0.705 30.982 30.300 -0.040 0.000 0.963 241 R HN 0.285 nan 8.270 nan 0.000 0.426 242 S N 2.214 117.947 115.700 0.056 0.000 2.589 242 S HA 0.203 4.673 4.470 -0.000 0.000 0.265 242 S C 0.084 174.756 174.600 0.120 0.000 1.342 242 S CA -0.916 57.371 58.200 0.145 0.000 1.005 242 S CB 1.301 64.625 63.200 0.207 0.000 0.909 242 S HN 0.373 nan 8.310 nan 0.000 0.555 243 V N 1.660 121.688 119.914 0.192 0.000 2.630 243 V HA 0.510 4.629 4.120 -0.000 0.000 0.305 243 V C 0.682 176.898 176.094 0.203 0.000 1.046 243 V CA -0.767 61.627 62.300 0.156 0.000 0.934 243 V CB 1.658 33.547 31.823 0.111 0.000 1.003 243 V HN 1.086 nan 8.190 nan 0.000 0.451 244 S N 4.423 120.222 115.700 0.164 0.000 2.537 244 S HA 0.120 4.590 4.470 -0.000 0.000 0.286 244 S C -1.396 173.311 174.600 0.179 0.000 1.299 244 S CA -0.553 57.739 58.200 0.153 0.000 1.067 244 S CB 0.805 64.084 63.200 0.131 0.000 0.864 244 S HN 0.603 nan 8.310 nan 0.000 0.494 245 P HA -0.095 nan 4.420 nan 0.000 0.219 245 P C 1.270 178.647 177.300 0.129 0.000 1.146 245 P CA 0.788 63.964 63.100 0.126 0.000 0.808 245 P CB 0.033 31.785 31.700 0.087 0.000 0.779 246 I N -1.513 119.140 120.570 0.139 0.000 2.286 246 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 246 I C 2.314 178.556 176.117 0.209 0.000 1.104 246 I CA 1.689 63.079 61.300 0.150 0.000 1.397 246 I CB -1.711 36.372 38.000 0.138 0.000 1.072 246 I HN 0.088 nan 8.210 nan 0.000 0.417 247 H N 0.473 119.611 119.070 0.113 0.000 2.428 247 H HA -0.062 4.494 4.556 -0.000 0.000 0.296 247 H C 2.368 177.777 175.328 0.135 0.000 1.062 247 H CA 1.544 57.654 56.048 0.103 0.000 1.350 247 H CB 0.063 29.846 29.762 0.034 0.000 1.403 247 H HN 0.224 nan 8.280 nan 0.000 0.533 248 C N 0.425 119.781 119.300 0.092 0.000 2.442 248 C HA -0.132 4.328 4.460 -0.000 0.000 0.279 248 C C 2.574 177.590 174.990 0.043 0.000 1.237 248 C CA 1.368 60.421 59.018 0.058 0.000 1.722 248 C CB -0.762 27.072 27.740 0.157 0.000 2.056 248 C HN 0.730 nan 8.230 nan 0.000 0.469 249 E N -0.898 119.346 120.200 0.074 0.000 2.273 249 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 249 E C 1.760 178.385 176.600 0.041 0.000 1.002 249 E CA 1.212 57.642 56.400 0.052 0.000 0.828 249 E CB -0.175 29.555 29.700 0.050 0.000 0.747 249 E HN 0.806 nan 8.360 nan 0.000 0.491 250 Y N 0.445 120.704 120.300 -0.068 0.000 2.269 250 Y HA -0.023 4.527 4.550 -0.000 0.000 0.294 250 Y C 1.962 177.788 175.900 -0.123 0.000 1.120 250 Y CA 1.007 59.053 58.100 -0.090 0.000 1.159 250 Y CB -0.072 38.333 38.460 -0.093 0.000 1.024 250 Y HN -0.007 nan 8.280 nan 0.000 0.532 251 L N -0.596 120.657 121.223 0.050 0.000 2.109 251 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 251 L C 2.311 179.208 176.870 0.045 0.000 1.086 251 L CA 1.773 56.617 54.840 0.008 0.000 0.760 251 L CB -0.908 41.056 42.059 -0.159 0.000 0.910 251 L HN 0.313 nan 8.230 nan 0.000 0.437 252 T N -4.404 110.168 114.554 0.029 0.000 3.118 252 T HA -0.044 4.306 4.350 -0.000 0.000 0.260 252 T C 1.532 176.245 174.700 0.021 0.000 1.139 252 T CA 0.575 62.695 62.100 0.033 0.000 1.085 252 T CB -0.216 68.672 68.868 0.034 0.000 0.934 252 T HN 0.161 nan 8.240 nan 0.000 0.518 253 N N 1.109 119.810 118.700 0.002 0.000 2.333 253 N HA 0.225 4.965 4.740 -0.000 0.000 0.178 253 N C 1.536 177.049 175.510 0.005 0.000 1.018 253 N CA 0.820 53.850 53.050 -0.034 0.000 0.882 253 N CB -0.202 38.199 38.487 -0.143 0.000 0.984 253 N HN 0.507 nan 8.380 nan 0.000 0.434 254 M N -0.865 118.772 119.600 0.062 0.000 2.502 254 M HA 0.213 4.693 4.480 -0.000 0.000 0.243 254 M C 0.453 176.828 176.300 0.124 0.000 1.130 254 M CA 0.111 55.486 55.300 0.125 0.000 1.055 254 M CB 0.446 33.167 32.600 0.202 0.000 1.457 254 M HN 0.064 nan 8.290 nan 0.000 0.488 255 G N 1.884 110.736 108.800 0.086 0.000 2.368 255 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.290 255 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.290 255 G C -0.617 174.340 174.900 0.096 0.000 1.098 255 G CA -0.383 44.761 45.100 0.074 0.000 1.073 255 G HN 0.325 nan 8.290 nan 0.000 0.511 256 V N 0.614 120.586 119.914 0.097 0.000 2.668 256 V HA 0.603 4.723 4.120 -0.000 0.000 0.304 256 V C 0.742 176.873 176.094 0.062 0.000 1.071 256 V CA -0.716 61.650 62.300 0.109 0.000 0.894 256 V CB 1.824 33.745 31.823 0.164 0.000 1.008 256 V HN 0.539 nan 8.190 nan 0.000 0.425 257 R N 2.659 123.202 120.500 0.072 0.000 2.469 257 R HA 0.627 4.966 4.340 -0.000 0.000 0.250 257 R C 0.295 176.627 176.300 0.054 0.000 0.909 257 R CA 0.191 56.326 56.100 0.059 0.000 1.050 257 R CB 1.538 31.879 30.300 0.069 0.000 1.256 257 R HN 0.593 nan 8.270 nan 0.000 0.550 258 A N 1.493 124.370 122.820 0.095 0.000 2.359 258 A HA 0.595 4.915 4.320 -0.000 0.000 0.303 258 A C -0.838 176.812 177.584 0.111 0.000 1.066 258 A CA -0.524 51.583 52.037 0.117 0.000 0.730 258 A CB 1.815 20.929 19.000 0.190 0.000 1.211 258 A HN 0.044 nan 8.150 nan 0.000 0.439 259 S N 2.809 118.526 115.700 0.029 0.000 2.526 259 S HA 0.851 5.321 4.470 -0.000 0.000 0.293 259 S C -0.832 173.729 174.600 -0.065 0.000 1.092 259 S CA -0.516 57.637 58.200 -0.079 0.000 0.980 259 S CB 1.128 64.268 63.200 -0.099 0.000 1.048 259 S HN 0.895 nan 8.310 nan 0.000 0.483 260 M N 4.060 123.540 119.600 -0.200 0.000 2.274 260 M HA 0.327 4.807 4.480 -0.000 0.000 0.272 260 M C -1.615 174.562 176.300 -0.206 0.000 1.053 260 M CA -0.196 55.000 55.300 -0.173 0.000 0.978 260 M CB 1.889 34.414 32.600 -0.125 0.000 1.836 260 M HN 0.850 nan 8.290 nan 0.000 0.484 261 S N 5.441 121.074 115.700 -0.111 0.000 2.532 261 S HA 0.714 5.184 4.470 -0.000 0.000 0.299 261 S C -0.870 173.729 174.600 -0.001 0.000 1.105 261 S CA -0.901 57.276 58.200 -0.039 0.000 1.018 261 S CB 1.501 64.738 63.200 0.061 0.000 1.021 261 S HN 0.580 nan 8.310 nan 0.000 0.483 262 I N 3.133 123.759 120.570 0.093 0.000 2.342 262 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 262 I C 0.573 176.823 176.117 0.221 0.000 1.010 262 I CA -0.256 61.161 61.300 0.196 0.000 1.308 262 I CB 0.951 39.159 38.000 0.347 0.000 1.400 262 I HN 0.676 nan 8.210 nan 0.000 0.488 263 S N 6.884 122.676 115.700 0.154 0.000 2.616 263 S HA 0.626 5.096 4.470 -0.000 0.000 0.277 263 S C 0.078 174.752 174.600 0.124 0.000 1.234 263 S CA -0.485 57.800 58.200 0.142 0.000 1.028 263 S CB 1.465 64.735 63.200 0.117 0.000 0.988 263 S HN 0.370 nan 8.310 nan 0.000 0.522 264 I N 2.510 123.154 120.570 0.124 0.000 2.420 264 I HA 0.306 4.476 4.170 -0.000 0.000 0.282 264 I C -1.113 175.110 176.117 0.178 0.000 1.019 264 I CA -0.569 60.809 61.300 0.131 0.000 1.130 264 I CB 1.407 39.513 38.000 0.175 0.000 1.262 264 I HN 0.211 nan 8.210 nan 0.000 0.454 265 V N 6.955 126.930 119.914 0.101 0.000 2.313 265 V HA 0.184 4.303 4.120 -0.000 0.000 0.278 265 V C 0.266 176.383 176.094 0.038 0.000 1.017 265 V CA -0.771 61.584 62.300 0.092 0.000 0.823 265 V CB 1.649 33.505 31.823 0.056 0.000 1.010 265 V HN 0.515 nan 8.190 nan 0.000 0.443 266 V N 3.719 123.664 119.914 0.051 0.000 2.299 266 V HA 0.859 4.979 4.120 -0.000 0.000 0.255 266 V C 0.963 177.052 176.094 -0.008 0.000 1.100 266 V CA 0.595 62.867 62.300 -0.046 0.000 0.938 266 V CB -0.443 31.275 31.823 -0.174 0.000 1.139 266 V HN 1.248 nan 8.190 nan 0.000 0.490 267 G N 4.918 113.708 108.800 -0.017 0.000 2.543 267 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.286 267 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.286 267 G C 0.851 175.758 174.900 0.011 0.000 1.153 267 G CA 0.373 45.471 45.100 -0.004 0.000 0.968 267 G HN 1.781 nan 8.290 nan 0.000 0.544 268 G N 0.597 109.405 108.800 0.014 0.000 3.126 268 G HA2 0.456 4.416 3.960 -0.000 0.000 0.224 268 G HA3 0.456 4.416 3.960 -0.000 0.000 0.224 268 G C 0.570 175.475 174.900 0.009 0.000 1.142 268 G CA 1.218 46.324 45.100 0.010 0.000 0.759 268 G HN 0.715 nan 8.290 nan 0.000 0.550 269 K N 0.535 120.954 120.400 0.032 0.000 2.110 269 K HA 0.452 4.771 4.320 -0.000 0.000 0.263 269 K C -0.799 175.847 176.600 0.077 0.000 0.975 269 K CA -0.941 55.369 56.287 0.038 0.000 0.895 269 K CB 1.302 33.847 32.500 0.076 0.000 1.060 269 K HN -0.035 nan 8.250 nan 0.000 0.448 270 L N 5.922 127.160 121.223 0.025 0.000 2.401 270 L HA 0.124 4.464 4.340 -0.000 0.000 0.283 270 L C 0.314 177.333 176.870 0.249 0.000 1.151 270 L CA 0.130 55.020 54.840 0.083 0.000 0.942 270 L CB -0.174 41.824 42.059 -0.101 0.000 1.283 270 L HN 0.818 nan 8.230 nan 0.000 0.442 271 W N 5.421 126.793 121.300 0.121 0.000 2.425 271 W HA 0.275 4.935 4.660 -0.000 0.000 0.277 271 W C 0.987 177.611 176.519 0.174 0.000 1.231 271 W CA 1.075 58.493 57.345 0.121 0.000 1.248 271 W CB 0.243 29.723 29.460 0.033 0.000 1.117 271 W HN 0.617 nan 8.180 nan 0.000 0.568 272 G N -0.513 108.452 108.800 0.275 0.000 2.320 272 G HA2 0.408 4.368 3.960 -0.000 0.000 0.297 272 G HA3 0.408 4.368 3.960 -0.000 0.000 0.297 272 G C -2.057 172.833 174.900 -0.017 0.000 1.344 272 G CA -0.504 44.518 45.100 -0.130 0.000 0.851 272 G HN 0.567 nan 8.290 nan 0.000 0.567 273 L N -3.171 117.913 121.223 -0.232 0.000 2.720 273 L HA 0.898 5.238 4.340 -0.000 0.000 0.261 273 L C -1.394 175.151 176.870 -0.542 0.000 1.046 273 L CA -1.539 53.148 54.840 -0.256 0.000 0.886 273 L CB 0.874 43.007 42.059 0.123 0.000 1.493 273 L HN 0.521 nan 8.230 nan 0.000 0.407 274 F N 0.226 120.130 119.950 -0.076 0.000 2.405 274 F HA 0.675 5.202 4.527 -0.000 0.000 0.355 274 F C 0.796 176.462 175.800 -0.223 0.000 1.121 274 F CA -0.295 57.595 58.000 -0.184 0.000 1.112 274 F CB 1.880 40.819 39.000 -0.101 0.000 1.126 274 F HN 0.572 nan 8.300 nan 0.000 0.481 275 S N 3.624 119.200 115.700 -0.207 0.000 2.448 275 S HA 0.435 4.905 4.470 -0.000 0.000 0.320 275 S C -0.788 173.785 174.600 -0.045 0.000 1.071 275 S CA -0.535 57.595 58.200 -0.116 0.000 1.113 275 S CB 0.016 63.120 63.200 -0.159 0.000 0.972 275 S HN 0.716 nan 8.310 nan 0.000 0.465 276 C N 6.145 125.349 119.300 -0.160 0.000 2.285 276 C HA 0.507 4.966 4.460 -0.000 0.000 0.335 276 C C 0.452 175.290 174.990 -0.254 0.000 1.267 276 C CA -0.686 58.104 59.018 -0.379 0.000 1.762 276 C CB -0.894 26.230 27.740 -1.027 0.000 2.365 276 C HN 0.818 nan 8.230 nan 0.000 0.527 277 H N 0.920 119.906 119.070 -0.139 0.000 2.567 277 H HA 0.459 5.015 4.556 -0.000 0.000 0.345 277 H C -0.916 174.638 175.328 0.377 0.000 1.169 277 H CA -0.384 55.716 56.048 0.087 0.000 1.227 277 H CB 1.934 31.754 29.762 0.097 0.000 1.607 277 H HN 0.694 nan 8.280 nan 0.000 0.534 278 H N 1.300 120.565 119.070 0.326 0.000 3.026 278 H HA 0.102 4.658 4.556 -0.000 0.000 0.352 278 H C 0.198 175.615 175.328 0.149 0.000 1.090 278 H CA -0.625 55.581 56.048 0.263 0.000 1.268 278 H CB 1.016 30.919 29.762 0.236 0.000 1.816 278 H HN 0.446 nan 8.280 nan 0.000 0.518 279 M N 1.807 121.340 119.600 -0.111 0.000 2.659 279 M HA 0.121 4.601 4.480 -0.000 0.000 0.243 279 M C -0.088 176.212 176.300 0.000 0.000 1.111 279 M CA 0.302 55.582 55.300 -0.033 0.000 1.070 279 M CB -1.348 31.209 32.600 -0.072 0.000 1.525 279 M HN 0.497 nan 8.290 nan 0.000 0.517 280 S N -1.333 114.402 115.700 0.057 0.000 2.541 280 S HA 0.652 5.122 4.470 -0.000 0.000 0.271 280 S C -3.073 171.654 174.600 0.211 0.000 1.133 280 S CA -1.521 56.751 58.200 0.120 0.000 0.876 280 S CB 1.940 65.187 63.200 0.079 0.000 1.105 280 S HN -0.122 nan 8.310 nan 0.000 0.470 281 P HA 0.150 nan 4.420 nan 0.000 0.261 281 P C -0.743 176.556 177.300 -0.002 0.000 1.158 281 P CA 0.496 63.625 63.100 0.048 0.000 0.758 281 P CB 0.186 31.898 31.700 0.021 0.000 0.763 282 K N 2.621 122.975 120.400 -0.077 0.000 2.532 282 K HA 0.745 5.065 4.320 -0.000 0.000 0.265 282 K C -1.955 174.543 176.600 -0.170 0.000 0.948 282 K CA -0.889 55.263 56.287 -0.225 0.000 0.842 282 K CB 1.534 33.695 32.500 -0.566 0.000 1.392 282 K HN 0.346 nan 8.250 nan 0.000 0.436 283 L N 3.518 124.637 121.223 -0.175 0.000 2.472 283 L HA 0.588 4.928 4.340 -0.000 0.000 0.260 283 L C -1.884 174.957 176.870 -0.049 0.000 0.963 283 L CA -0.765 54.014 54.840 -0.101 0.000 0.829 283 L CB 1.737 43.728 42.059 -0.113 0.000 1.348 283 L HN 0.650 nan 8.230 nan 0.000 0.408 284 I N 5.307 125.897 120.570 0.033 0.000 2.406 284 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 284 I C -2.107 174.072 176.117 0.103 0.000 0.999 284 I CA -1.953 59.393 61.300 0.076 0.000 1.124 284 I CB 1.852 39.948 38.000 0.159 0.000 1.289 284 I HN 0.460 nan 8.210 nan 0.000 0.441 285 P HA -0.077 nan 4.420 nan 0.000 0.266 285 P C 0.299 177.686 177.300 0.146 0.000 1.193 285 P CA 0.195 63.363 63.100 0.114 0.000 0.770 285 P CB 0.383 32.127 31.700 0.074 0.000 0.836 286 Y N 5.761 126.101 120.300 0.066 0.000 2.181 286 Y HA -0.119 4.431 4.550 -0.000 0.000 0.288 286 Y C -0.870 175.058 175.900 0.046 0.000 1.146 286 Y CA 1.917 60.052 58.100 0.058 0.000 1.164 286 Y CB -1.745 36.741 38.460 0.044 0.000 0.982 286 Y HN 0.418 nan 8.280 nan 0.000 0.515 287 P HA -0.136 nan 4.420 nan 0.000 0.225 287 P C 1.358 178.686 177.300 0.046 0.000 1.148 287 P CA 1.435 64.563 63.100 0.047 0.000 0.779 287 P CB 0.063 31.831 31.700 0.112 0.000 0.780 288 V N -0.857 119.042 119.914 -0.025 0.000 3.307 288 V HA 0.035 4.154 4.120 -0.000 0.000 0.253 288 V C 2.258 178.252 176.094 -0.167 0.000 1.149 288 V CA 0.925 63.143 62.300 -0.138 0.000 1.112 288 V CB -0.643 31.123 31.823 -0.095 0.000 0.777 288 V HN 0.058 nan 8.190 nan 0.000 0.464 289 R N -0.296 120.176 120.500 -0.047 0.000 2.153 289 R HA 0.051 4.391 4.340 -0.000 0.000 0.218 289 R C 2.031 178.312 176.300 -0.032 0.000 1.072 289 R CA 0.945 57.072 56.100 0.045 0.000 0.990 289 R CB -0.158 30.139 30.300 -0.005 0.000 0.889 289 R HN 0.372 nan 8.270 nan 0.000 0.452 290 M N -0.326 119.172 119.600 -0.171 0.000 2.447 290 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 290 M C 2.060 178.529 176.300 0.282 0.000 1.095 290 M CA 0.949 56.224 55.300 -0.043 0.000 1.125 290 M CB -0.476 31.951 32.600 -0.288 0.000 1.389 290 M HN -0.030 nan 8.290 nan 0.000 0.459 291 S N -0.048 115.730 115.700 0.131 0.000 2.481 291 S HA -0.019 4.450 4.470 -0.000 0.000 0.231 291 S C 1.424 175.866 174.600 -0.263 0.000 0.996 291 S CA 0.796 58.843 58.200 -0.256 0.000 0.942 291 S CB -0.064 62.834 63.200 -0.504 0.000 0.768 291 S HN 0.304 nan 8.310 nan 0.000 0.520 292 F N 1.165 121.142 119.950 0.045 0.000 2.500 292 F HA 0.318 4.845 4.527 -0.000 0.000 0.285 292 F C 2.330 178.224 175.800 0.156 0.000 1.088 292 F CA 0.264 58.316 58.000 0.087 0.000 1.432 292 F CB -0.857 38.168 39.000 0.041 0.000 1.131 292 F HN 0.247 nan 8.300 nan 0.000 0.582 293 Q N 0.633 120.591 119.800 0.263 0.000 2.226 293 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 293 Q C 2.094 178.185 176.000 0.152 0.000 0.975 293 Q CA 1.439 57.344 55.803 0.170 0.000 0.866 293 Q CB -0.184 28.604 28.738 0.083 0.000 0.915 293 Q HN 0.535 nan 8.270 nan 0.000 0.440 294 I N -0.115 120.559 120.570 0.174 0.000 2.584 294 I HA -0.130 4.040 4.170 -0.000 0.000 0.255 294 I C 1.830 178.028 176.117 0.134 0.000 1.145 294 I CA 0.245 61.626 61.300 0.135 0.000 1.462 294 I CB -0.000 38.084 38.000 0.140 0.000 1.102 294 I HN 0.286 nan 8.210 nan 0.000 0.433 295 F N 0.780 120.764 119.950 0.057 0.000 2.102 295 F HA -0.271 4.255 4.527 -0.000 0.000 0.298 295 F C 2.739 178.594 175.800 0.093 0.000 1.105 295 F CA 1.852 59.891 58.000 0.065 0.000 1.239 295 F CB -0.773 38.291 39.000 0.107 0.000 0.991 295 F HN 0.065 nan 8.300 nan 0.000 0.474 296 S N -0.159 115.572 115.700 0.052 0.000 2.389 296 S HA -0.340 4.130 4.470 -0.000 0.000 0.231 296 S C 1.935 176.466 174.600 -0.115 0.000 1.052 296 S CA 2.140 60.319 58.200 -0.036 0.000 1.053 296 S CB -0.467 62.799 63.200 0.109 0.000 0.886 296 S HN 0.734 nan 8.310 nan 0.000 0.456 297 Q N -0.333 119.427 119.800 -0.066 0.000 2.033 297 Q HA 0.047 4.387 4.340 -0.000 0.000 0.196 297 Q C 2.396 178.332 176.000 -0.107 0.000 0.970 297 Q CA 1.447 57.215 55.803 -0.059 0.000 0.828 297 Q CB -0.401 28.329 28.738 -0.013 0.000 0.895 297 Q HN 0.428 nan 8.270 nan 0.000 0.440 298 V N 0.531 120.371 119.914 -0.123 0.000 2.392 298 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 298 V C 2.332 178.305 176.094 -0.201 0.000 1.059 298 V CA 1.647 63.871 62.300 -0.127 0.000 1.051 298 V CB -0.314 31.463 31.823 -0.077 0.000 0.658 298 V HN 0.619 nan 8.190 nan 0.000 0.455 299 C N -0.724 118.343 119.300 -0.388 0.000 2.446 299 C HA -0.123 4.336 4.460 -0.000 0.000 0.277 299 C C 3.176 178.041 174.990 -0.209 0.000 1.275 299 C CA 1.533 60.315 59.018 -0.393 0.000 1.727 299 C CB -0.989 26.277 27.740 -0.790 0.000 2.010 299 C HN 0.609 nan 8.230 nan 0.000 0.486 300 S N 0.467 116.062 115.700 -0.175 0.000 2.400 300 S HA -0.106 4.363 4.470 -0.000 0.000 0.232 300 S C 2.085 176.594 174.600 -0.151 0.000 1.025 300 S CA 1.365 59.486 58.200 -0.133 0.000 0.993 300 S CB -0.403 62.752 63.200 -0.076 0.000 0.808 300 S HN 0.815 nan 8.310 nan 0.000 0.478 301 A N 0.681 123.424 122.820 -0.129 0.000 1.930 301 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 301 A C 1.979 179.493 177.584 -0.118 0.000 1.175 301 A CA 1.123 53.094 52.037 -0.109 0.000 0.627 301 A CB -0.421 18.530 19.000 -0.082 0.000 0.815 301 A HN 0.434 nan 8.150 nan 0.000 0.443 302 I N -0.831 119.667 120.570 -0.121 0.000 2.716 302 I HA -0.078 4.092 4.170 -0.000 0.000 0.259 302 I C 2.162 178.196 176.117 -0.139 0.000 1.172 302 I CA 0.649 61.887 61.300 -0.103 0.000 1.478 302 I CB 0.144 38.103 38.000 -0.068 0.000 1.104 302 I HN 0.106 nan 8.210 nan 0.000 0.439 303 V N 0.299 120.089 119.914 -0.206 0.000 2.548 303 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 303 V C 2.435 178.279 176.094 -0.418 0.000 1.055 303 V CA 1.709 63.790 62.300 -0.365 0.000 1.065 303 V CB -0.591 30.893 31.823 -0.565 0.000 0.681 303 V HN 0.452 nan 8.190 nan 0.000 0.462 304 E N 1.159 121.172 120.200 -0.313 0.000 2.033 304 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 304 E C 2.322 178.813 176.600 -0.181 0.000 1.011 304 E CA 1.772 58.025 56.400 -0.246 0.000 0.815 304 E CB -0.147 29.455 29.700 -0.164 0.000 0.755 304 E HN 0.425 nan 8.360 nan 0.000 0.451 305 R N -0.166 120.252 120.500 -0.137 0.000 2.115 305 R HA -0.007 4.333 4.340 -0.000 0.000 0.226 305 R C 2.333 178.581 176.300 -0.088 0.000 1.100 305 R CA 0.684 56.728 56.100 -0.093 0.000 0.980 305 R CB -1.025 29.234 30.300 -0.068 0.000 0.875 305 R HN 0.257 nan 8.270 nan 0.000 0.445 306 L N 1.481 122.641 121.223 -0.105 0.000 2.456 306 L HA -0.045 4.295 4.340 -0.000 0.000 0.224 306 L C 2.114 178.938 176.870 -0.077 0.000 1.148 306 L CA 1.427 56.223 54.840 -0.074 0.000 0.825 306 L CB -0.210 41.814 42.059 -0.059 0.000 0.937 306 L HN 0.107 nan 8.230 nan 0.000 0.450 307 E N -0.760 119.363 120.200 -0.129 0.000 2.132 307 E HA -0.090 4.259 4.350 -0.000 0.000 0.193 307 E C 1.965 178.531 176.600 -0.056 0.000 0.951 307 E CA 0.622 56.967 56.400 -0.093 0.000 0.843 307 E CB 0.021 29.617 29.700 -0.173 0.000 0.807 307 E HN 0.663 nan 8.360 nan 0.000 0.467 308 Q N 0.026 119.783 119.800 -0.072 0.000 2.436 308 Q HA 0.014 4.354 4.340 -0.000 0.000 0.209 308 Q C 1.597 177.577 176.000 -0.033 0.000 0.965 308 Q CA 1.409 57.184 55.803 -0.046 0.000 0.910 308 Q CB -0.104 28.603 28.738 -0.051 0.000 0.980 308 Q HN 0.086 nan 8.270 nan 0.000 0.491 309 G N 0.681 109.461 108.800 -0.034 0.000 2.887 309 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.211 309 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.211 309 G C 1.400 176.292 174.900 -0.012 0.000 1.152 309 G CA -0.153 44.933 45.100 -0.022 0.000 0.769 309 G HN 0.232 nan 8.290 nan 0.000 0.541 310 R N 0.542 121.036 120.500 -0.010 0.000 2.127 310 R HA 0.103 4.443 4.340 -0.000 0.000 0.217 310 R C 2.286 178.588 176.300 0.003 0.000 1.074 310 R CA 0.858 56.960 56.100 0.003 0.000 0.991 310 R CB -0.110 30.199 30.300 0.016 0.000 0.895 310 R HN 0.411 nan 8.270 nan 0.000 0.450 311 I N -1.078 119.492 120.570 -0.001 0.000 2.584 311 I HA 0.069 4.238 4.170 -0.000 0.000 0.255 311 I C 1.661 177.773 176.117 -0.009 0.000 1.145 311 I CA 1.501 62.798 61.300 -0.004 0.000 1.462 311 I CB -1.059 36.939 38.000 -0.003 0.000 1.102 311 I HN 0.023 nan 8.210 nan 0.000 0.433 312 A N 1.092 123.906 122.820 -0.010 0.000 2.259 312 A HA -0.183 4.136 4.320 -0.000 0.000 0.212 312 A C 2.044 179.623 177.584 -0.009 0.000 1.178 312 A CA 1.721 53.751 52.037 -0.011 0.000 0.734 312 A CB -0.689 18.303 19.000 -0.013 0.000 0.774 312 A HN 0.689 nan 8.150 nan 0.000 0.481 313 E N -0.564 119.632 120.200 -0.006 0.000 2.290 313 E HA 0.130 4.480 4.350 -0.000 0.000 0.199 313 E C 1.667 178.265 176.600 -0.004 0.000 0.912 313 E CA 0.206 56.603 56.400 -0.004 0.000 0.924 313 E CB -0.344 29.357 29.700 0.001 0.000 0.901 313 E HN 0.466 nan 8.360 nan 0.000 0.487 314 L N 0.621 121.840 121.223 -0.006 0.000 2.012 314 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 314 L C 2.346 179.206 176.870 -0.016 0.000 1.073 314 L CA 0.944 55.777 54.840 -0.010 0.000 0.748 314 L CB -0.513 41.538 42.059 -0.013 0.000 0.891 314 L HN 0.289 nan 8.230 nan 0.000 0.431 315 L N -0.401 120.811 121.223 -0.018 0.000 1.990 315 L HA -0.278 4.062 4.340 -0.000 0.000 0.213 315 L C 2.791 179.652 176.870 -0.016 0.000 1.072 315 L CA 1.776 56.603 54.840 -0.021 0.000 0.755 315 L CB -1.063 40.985 42.059 -0.019 0.000 0.889 315 L HN 0.388 nan 8.230 nan 0.000 0.432 316 R N 0.026 120.519 120.500 -0.012 0.000 2.105 316 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 316 R C 2.092 178.387 176.300 -0.007 0.000 1.135 316 R CA 1.979 58.074 56.100 -0.009 0.000 0.967 316 R CB -0.140 30.156 30.300 -0.007 0.000 0.861 316 R HN 0.461 nan 8.270 nan 0.000 0.442 317 V N -2.772 117.138 119.914 -0.006 0.000 3.129 317 V HA 0.012 4.132 4.120 -0.000 0.000 0.259 317 V C 1.858 177.949 176.094 -0.004 0.000 1.116 317 V CA 1.459 63.757 62.300 -0.003 0.000 1.127 317 V CB 0.446 32.270 31.823 0.002 0.000 0.742 317 V HN 0.078 nan 8.190 nan 0.000 0.474 318 S N 1.633 117.327 115.700 -0.011 0.000 2.348 318 S HA -0.106 4.363 4.470 -0.000 0.000 0.219 318 S C 2.023 176.615 174.600 -0.012 0.000 1.033 318 S CA 1.842 60.033 58.200 -0.015 0.000 0.974 318 S CB -0.401 62.781 63.200 -0.030 0.000 0.868 318 S HN 0.912 nan 8.310 nan 0.000 0.459 319 T N -0.497 114.048 114.554 -0.014 0.000 3.160 319 T HA 0.121 4.470 4.350 -0.000 0.000 0.257 319 T C 1.232 175.925 174.700 -0.012 0.000 1.147 319 T CA 0.991 63.083 62.100 -0.013 0.000 1.064 319 T CB 0.026 68.885 68.868 -0.014 0.000 0.949 319 T HN 0.275 nan 8.240 nan 0.000 0.526 320 E N 1.843 122.037 120.200 -0.009 0.000 2.162 320 E HA 0.098 4.447 4.350 -0.000 0.000 0.193 320 E C 2.362 178.956 176.600 -0.011 0.000 0.953 320 E CA 0.314 56.708 56.400 -0.009 0.000 0.849 320 E CB 0.023 29.720 29.700 -0.006 0.000 0.810 320 E HN 0.632 nan 8.360 nan 0.000 0.470 321 R N -0.077 120.420 120.500 -0.006 0.000 2.297 321 R HA 0.188 4.528 4.340 -0.000 0.000 0.197 321 R C 1.761 178.056 176.300 -0.008 0.000 0.943 321 R CA 0.164 56.260 56.100 -0.006 0.000 1.038 321 R CB -0.025 30.280 30.300 0.009 0.000 0.957 321 R HN -0.020 nan 8.270 nan 0.000 0.484 322 R N 0.668 121.163 120.500 -0.009 0.000 2.193 322 R HA 0.076 4.416 4.340 -0.000 0.000 0.213 322 R C 2.002 178.290 176.300 -0.021 0.000 1.055 322 R CA 0.578 56.670 56.100 -0.013 0.000 0.995 322 R CB -0.042 30.251 30.300 -0.012 0.000 0.893 322 R HN 0.263 nan 8.270 nan 0.000 0.459 323 L N -0.087 121.123 121.223 -0.021 0.000 2.418 323 L HA 0.086 4.425 4.340 -0.000 0.000 0.218 323 L C 2.097 178.946 176.870 -0.034 0.000 1.125 323 L CA 0.459 55.284 54.840 -0.024 0.000 0.835 323 L CB -0.051 41.997 42.059 -0.019 0.000 0.953 323 L HN 0.080 nan 8.230 nan 0.000 0.454 324 A N 0.539 123.335 122.820 -0.040 0.000 1.855 324 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 324 A C 1.993 179.528 177.584 -0.083 0.000 1.191 324 A CA 1.865 53.863 52.037 -0.066 0.000 0.613 324 A CB -0.659 18.300 19.000 -0.069 0.000 0.829 324 A HN 0.479 nan 8.150 nan 0.000 0.442 325 L N -1.829 119.354 121.223 -0.066 0.000 2.179 325 L HA 0.322 4.662 4.340 -0.000 0.000 0.208 325 L C 2.356 179.198 176.870 -0.046 0.000 1.096 325 L CA 1.640 56.441 54.840 -0.064 0.000 0.779 325 L CB -1.501 40.524 42.059 -0.057 0.000 0.922 325 L HN 0.184 nan 8.230 nan 0.000 0.443 326 A N 0.442 123.239 122.820 -0.038 0.000 1.940 326 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 326 A C 2.626 180.196 177.584 -0.022 0.000 1.176 326 A CA 1.933 53.954 52.037 -0.027 0.000 0.631 326 A CB -0.624 18.362 19.000 -0.023 0.000 0.814 326 A HN 0.552 nan 8.150 nan 0.000 0.446 327 R N -0.966 119.516 120.500 -0.031 0.000 2.100 327 R HA 0.039 4.379 4.340 -0.000 0.000 0.220 327 R C 2.346 178.629 176.300 -0.028 0.000 1.091 327 R CA 1.009 57.092 56.100 -0.028 0.000 0.986 327 R CB -0.237 30.042 30.300 -0.034 0.000 0.888 327 R HN 0.482 nan 8.270 nan 0.000 0.444 328 R N -0.092 120.381 120.500 -0.045 0.000 2.090 328 R HA 0.006 4.346 4.340 -0.000 0.000 0.228 328 R C 1.845 178.144 176.300 -0.001 0.000 1.110 328 R CA 1.448 57.523 56.100 -0.043 0.000 0.973 328 R CB -0.072 30.168 30.300 -0.100 0.000 0.869 328 R HN 0.278 nan 8.270 nan 0.000 0.440 329 A N -0.097 122.726 122.820 0.005 0.000 2.132 329 A HA 0.004 4.323 4.320 -0.000 0.000 0.213 329 A C 1.937 179.554 177.584 0.055 0.000 1.154 329 A CA 0.428 52.487 52.037 0.037 0.000 0.753 329 A CB -0.115 18.902 19.000 0.029 0.000 0.826 329 A HN 0.265 nan 8.150 nan 0.000 0.469 330 R N -0.535 119.980 120.500 0.025 0.000 2.265 330 R HA 0.020 4.360 4.340 -0.000 0.000 0.194 330 R C -0.219 176.083 176.300 0.003 0.000 0.931 330 R CA 0.683 56.791 56.100 0.013 0.000 1.032 330 R CB 0.192 30.489 30.300 -0.004 0.000 0.980 330 R HN 0.198 nan 8.270 nan 0.000 0.497 331 D N 0.458 120.862 120.400 0.007 0.000 2.358 331 D HA 0.264 4.904 4.640 -0.000 0.000 0.224 331 D C -0.384 175.927 176.300 0.018 0.000 1.123 331 D CA 0.327 54.330 54.000 0.005 0.000 0.833 331 D CB 1.250 42.050 40.800 0.000 0.000 0.946 331 D HN 0.320 nan 8.370 nan 0.000 0.505 332 A N -0.332 122.508 122.820 0.033 0.000 2.483 332 A HA 0.458 4.778 4.320 -0.000 0.000 0.306 332 A C -1.054 176.580 177.584 0.083 0.000 1.137 332 A CA -0.574 51.492 52.037 0.049 0.000 0.626 332 A CB 0.716 19.745 19.000 0.050 0.000 1.352 332 A HN -0.154 nan 8.150 nan 0.000 0.508 333 D N 0.465 120.921 120.400 0.094 0.000 2.538 333 D HA 0.228 4.868 4.640 -0.000 0.000 0.231 333 D C -1.025 175.328 176.300 0.089 0.000 1.229 333 D CA 0.254 54.339 54.000 0.141 0.000 0.828 333 D CB 0.655 41.542 40.800 0.146 0.000 1.035 333 D HN 0.388 nan 8.370 nan 0.000 0.495 334 D N 1.392 121.844 120.400 0.087 0.000 2.468 334 D HA 0.099 4.739 4.640 -0.000 0.000 0.218 334 D C 1.316 177.692 176.300 0.127 0.000 1.155 334 D CA -0.189 53.871 54.000 0.100 0.000 0.924 334 D CB 0.549 41.405 40.800 0.094 0.000 1.029 334 D HN 0.052 nan 8.370 nan 0.000 0.515 335 L N 2.925 124.244 121.223 0.159 0.000 2.093 335 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 335 L C 1.359 178.310 176.870 0.135 0.000 1.085 335 L CA 0.879 55.791 54.840 0.122 0.000 0.755 335 L CB -0.025 42.108 42.059 0.124 0.000 0.904 335 L HN 0.319 nan 8.230 nan 0.000 0.435 336 F N 0.023 119.968 119.950 -0.008 0.000 2.039 336 F HA -0.071 4.456 4.527 -0.000 0.000 0.294 336 F C 2.590 178.402 175.800 0.020 0.000 1.130 336 F CA 1.367 59.369 58.000 0.002 0.000 1.189 336 F CB -1.471 37.537 39.000 0.012 0.000 0.983 336 F HN 0.052 nan 8.300 nan 0.000 0.471 337 G N -0.316 108.635 108.800 0.251 0.000 2.547 337 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.221 337 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.221 337 G C 1.843 176.870 174.900 0.212 0.000 1.140 337 G CA 1.415 46.624 45.100 0.182 0.000 0.760 337 G HN 0.527 nan 8.290 nan 0.000 0.583 338 A N 0.310 123.217 122.820 0.144 0.000 1.898 338 A HA 0.165 4.484 4.320 -0.000 0.000 0.216 338 A C 2.450 180.073 177.584 0.065 0.000 1.181 338 A CA 1.316 53.404 52.037 0.086 0.000 0.620 338 A CB -0.370 18.637 19.000 0.012 0.000 0.819 338 A HN 0.368 nan 8.150 nan 0.000 0.442 339 L N -0.782 120.444 121.223 0.005 0.000 2.201 339 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 339 L C 2.975 179.844 176.870 -0.002 0.000 1.105 339 L CA 0.768 55.575 54.840 -0.056 0.000 0.775 339 L CB -0.428 41.517 42.059 -0.189 0.000 0.913 339 L HN 0.448 nan 8.230 nan 0.000 0.440 340 A N -1.652 121.201 122.820 0.055 0.000 1.969 340 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 340 A C 1.015 178.638 177.584 0.066 0.000 1.169 340 A CA 0.387 52.452 52.037 0.045 0.000 0.635 340 A CB -0.666 18.365 19.000 0.050 0.000 0.810 340 A HN 0.338 nan 8.150 nan 0.000 0.445 341 H N 0.304 119.378 119.070 0.007 0.000 3.134 341 H HA -0.043 4.513 4.556 -0.000 0.000 0.326 341 H C -1.157 174.182 175.328 0.018 0.000 1.017 341 H CA 0.162 56.219 56.048 0.015 0.000 1.359 341 H CB 0.591 30.362 29.762 0.014 0.000 1.300 341 H HN 0.289 nan 8.280 nan 0.000 0.596 342 P HA -0.144 nan 4.420 nan 0.000 0.215 342 P C 0.343 177.692 177.300 0.082 0.000 1.157 342 P CA 1.445 64.582 63.100 0.062 0.000 0.863 342 P CB 0.364 32.085 31.700 0.036 0.000 0.787 343 D N -1.258 119.202 120.400 0.101 0.000 2.392 343 D HA 0.051 4.691 4.640 -0.000 0.000 0.206 343 D C 0.036 176.382 176.300 0.077 0.000 1.046 343 D CA 0.471 54.519 54.000 0.080 0.000 0.865 343 D CB -0.104 40.737 40.800 0.068 0.000 0.969 343 D HN 0.285 nan 8.370 nan 0.000 0.509 344 D N -0.691 119.765 120.400 0.094 0.000 2.384 344 D HA 0.589 5.229 4.640 -0.000 0.000 0.250 344 D C 0.780 177.125 176.300 0.076 0.000 1.029 344 D CA -0.374 53.663 54.000 0.060 0.000 0.990 344 D CB 1.277 42.077 40.800 0.001 0.000 1.175 344 D HN 0.074 nan 8.370 nan 0.000 0.532 345 G N -0.139 108.694 108.800 0.055 0.000 2.796 345 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.226 345 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.226 345 G C 0.956 175.917 174.900 0.103 0.000 1.381 345 G CA -0.205 44.927 45.100 0.053 0.000 0.867 345 G HN 0.943 nan 8.290 nan 0.000 0.552 346 I N -2.131 118.473 120.570 0.056 0.000 2.290 346 I HA -0.074 4.096 4.170 -0.000 0.000 0.253 346 I C 2.671 178.910 176.117 0.202 0.000 1.112 346 I CA 2.705 64.055 61.300 0.084 0.000 1.377 346 I CB -0.872 36.861 38.000 -0.444 0.000 1.060 346 I HN 1.296 nan 8.210 nan 0.000 0.428 347 A N 1.454 124.330 122.820 0.095 0.000 1.859 347 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 347 A C 2.263 179.945 177.584 0.164 0.000 1.198 347 A CA 2.475 54.574 52.037 0.104 0.000 0.629 347 A CB -0.980 18.062 19.000 0.069 0.000 0.830 347 A HN 0.726 nan 8.150 nan 0.000 0.446 348 A N -2.038 120.872 122.820 0.149 0.000 2.594 348 A HA 0.543 4.862 4.320 -0.000 0.000 0.287 348 A C 1.321 178.975 177.584 0.116 0.000 1.227 348 A CA -0.140 51.972 52.037 0.124 0.000 0.952 348 A CB -0.012 19.039 19.000 0.086 0.000 1.161 348 A HN 0.353 nan 8.150 nan 0.000 0.524 349 L N -0.092 121.237 121.223 0.178 0.000 2.095 349 L HA 0.352 4.692 4.340 -0.000 0.000 0.204 349 L C 0.588 177.443 176.870 -0.025 0.000 1.080 349 L CA 1.752 56.654 54.840 0.105 0.000 0.759 349 L CB -0.292 41.888 42.059 0.202 0.000 0.914 349 L HN 0.362 nan 8.230 nan 0.000 0.439 350 I N 0.175 120.715 120.570 -0.051 0.000 2.569 350 I HA 0.247 4.416 4.170 -0.000 0.000 0.296 350 I C -2.136 174.006 176.117 0.040 0.000 1.028 350 I CA -1.956 59.246 61.300 -0.164 0.000 1.082 350 I CB 2.039 39.672 38.000 -0.612 0.000 1.264 350 I HN -0.054 nan 8.210 nan 0.000 0.429 351 P HA 0.036 nan 4.420 nan 0.000 0.260 351 P C -1.063 176.297 177.300 0.100 0.000 1.207 351 P CA -0.063 63.067 63.100 0.051 0.000 0.780 351 P CB -0.055 31.642 31.700 -0.005 0.000 0.789 352 C N 1.015 120.410 119.300 0.158 0.000 3.173 352 C HA 0.461 4.921 4.460 -0.000 0.000 0.310 352 C C 0.661 175.773 174.990 0.204 0.000 1.306 352 C CA -0.677 58.476 59.018 0.225 0.000 1.426 352 C CB 1.873 29.833 27.740 0.366 0.000 1.800 352 C HN 0.359 nan 8.230 nan 0.000 0.470 353 D N 0.387 120.940 120.400 0.254 0.000 2.349 353 D HA 0.405 5.045 4.640 -0.000 0.000 0.214 353 D C 0.745 177.238 176.300 0.322 0.000 1.063 353 D CA 1.209 55.396 54.000 0.312 0.000 0.847 353 D CB 0.954 42.042 40.800 0.481 0.000 0.933 353 D HN 1.120 nan 8.370 nan 0.000 0.513 354 G N -0.396 108.509 108.800 0.175 0.000 2.411 354 G HA2 0.551 4.511 3.960 -0.000 0.000 0.295 354 G HA3 0.551 4.511 3.960 -0.000 0.000 0.295 354 G C -1.834 172.913 174.900 -0.254 0.000 1.542 354 G CA -0.119 44.815 45.100 -0.277 0.000 0.814 354 G HN 0.153 nan 8.290 nan 0.000 0.557 355 A N 0.121 122.664 122.820 -0.461 0.000 2.594 355 A HA 0.943 5.263 4.320 -0.000 0.000 0.291 355 A C -1.784 175.654 177.584 -0.244 0.000 1.105 355 A CA -0.756 51.145 52.037 -0.228 0.000 0.694 355 A CB 2.230 21.102 19.000 -0.213 0.000 1.291 355 A HN 1.945 nan 8.150 nan 0.000 0.410 356 L N 1.420 122.587 121.223 -0.094 0.000 2.543 356 L HA 0.658 4.998 4.340 -0.000 0.000 0.265 356 L C -1.877 175.007 176.870 0.023 0.000 0.945 356 L CA -0.328 54.536 54.840 0.041 0.000 0.869 356 L CB 1.416 43.632 42.059 0.261 0.000 1.294 356 L HN 0.582 nan 8.230 nan 0.000 0.405 357 V N 5.944 125.831 119.914 -0.046 0.000 2.495 357 V HA 0.568 4.687 4.120 -0.000 0.000 0.298 357 V C 0.057 176.167 176.094 0.027 0.000 1.031 357 V CA -0.385 61.863 62.300 -0.087 0.000 0.871 357 V CB 2.057 33.664 31.823 -0.361 0.000 0.988 357 V HN 0.794 nan 8.190 nan 0.000 0.432 358 M N 5.673 125.392 119.600 0.199 0.000 2.383 358 M HA 0.629 5.108 4.480 -0.000 0.000 0.325 358 M C -1.677 174.791 176.300 0.280 0.000 1.092 358 M CA -0.756 54.706 55.300 0.270 0.000 0.961 358 M CB 2.035 34.845 32.600 0.349 0.000 1.672 358 M HN 0.401 nan 8.290 nan 0.000 0.438 359 L N 3.132 124.552 121.223 0.330 0.000 2.661 359 L HA 0.668 5.008 4.340 -0.000 0.000 0.263 359 L C 0.041 177.046 176.870 0.226 0.000 0.956 359 L CA 0.753 55.755 54.840 0.270 0.000 0.918 359 L CB 1.320 43.624 42.059 0.408 0.000 1.280 359 L HN 0.930 nan 8.230 nan 0.000 0.416 360 G N 3.623 112.505 108.800 0.137 0.000 2.531 360 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.274 360 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.274 360 G C 0.656 175.621 174.900 0.109 0.000 1.159 360 G CA 0.239 45.400 45.100 0.101 0.000 0.969 360 G HN 1.424 nan 8.290 nan 0.000 0.554 361 G N 0.288 109.135 108.800 0.080 0.000 2.939 361 G HA2 0.416 4.376 3.960 -0.000 0.000 0.210 361 G HA3 0.416 4.376 3.960 -0.000 0.000 0.210 361 G C 0.813 175.764 174.900 0.086 0.000 1.160 361 G CA 0.922 46.065 45.100 0.071 0.000 0.770 361 G HN 0.826 nan 8.290 nan 0.000 0.543 362 R N -0.150 120.417 120.500 0.110 0.000 2.500 362 R HA 0.673 5.013 4.340 -0.000 0.000 0.275 362 R C -0.457 176.033 176.300 0.318 0.000 1.051 362 R CA -0.225 55.960 56.100 0.142 0.000 1.088 362 R CB 1.164 31.447 30.300 -0.030 0.000 1.063 362 R HN 0.036 nan 8.270 nan 0.000 0.511 363 T N 1.361 116.117 114.554 0.338 0.000 2.957 363 T HA 0.479 4.829 4.350 -0.000 0.000 0.336 363 T C -1.837 173.037 174.700 0.290 0.000 1.462 363 T CA -1.010 61.282 62.100 0.320 0.000 1.073 363 T CB 0.995 69.979 68.868 0.193 0.000 1.319 363 T HN 0.625 nan 8.240 nan 0.000 0.485 364 L N 1.721 123.068 121.223 0.206 0.000 2.422 364 L HA 0.980 5.320 4.340 -0.000 0.000 0.264 364 L C -0.771 176.141 176.870 0.069 0.000 0.984 364 L CA -0.798 54.129 54.840 0.144 0.000 0.819 364 L CB 2.471 44.635 42.059 0.175 0.000 1.330 364 L HN 0.727 nan 8.230 nan 0.000 0.410 365 S N 4.300 120.046 115.700 0.078 0.000 2.669 365 S HA 0.591 5.061 4.470 -0.000 0.000 0.315 365 S C -0.168 174.464 174.600 0.053 0.000 1.106 365 S CA -0.835 57.405 58.200 0.067 0.000 1.107 365 S CB 0.959 64.272 63.200 0.189 0.000 0.990 365 S HN 0.660 nan 8.310 nan 0.000 0.471 366 I N 1.248 121.797 120.570 -0.034 0.000 2.496 366 I HA 0.546 4.716 4.170 -0.000 0.000 0.285 366 I C 1.231 177.356 176.117 0.014 0.000 1.080 366 I CA 0.010 61.305 61.300 -0.009 0.000 1.404 366 I CB 0.050 38.034 38.000 -0.026 0.000 1.403 366 I HN 0.888 nan 8.210 nan 0.000 0.539 367 R N 2.762 123.329 120.500 0.112 0.000 3.840 367 R HA -0.139 4.201 4.340 -0.000 0.000 0.464 367 R C 0.094 176.620 176.300 0.377 0.000 0.986 367 R CA 1.108 57.330 56.100 0.203 0.000 1.305 367 R CB -1.581 28.832 30.300 0.188 0.000 1.950 367 R HN 1.324 nan 8.270 nan 0.000 0.526 368 G N -1.538 107.529 108.800 0.443 0.000 2.392 368 G HA2 0.247 4.206 3.960 -0.000 0.000 0.260 368 G HA3 0.247 4.206 3.960 -0.000 0.000 0.260 368 G C -1.954 173.039 174.900 0.154 0.000 1.226 368 G CA -0.095 45.162 45.100 0.263 0.000 0.913 368 G HN -0.011 nan 8.290 nan 0.000 0.483 369 D N 0.875 121.171 120.400 -0.173 0.000 2.477 369 D HA 0.533 5.173 4.640 -0.000 0.000 0.239 369 D C -0.290 175.773 176.300 -0.394 0.000 1.102 369 D CA -0.296 53.607 54.000 -0.162 0.000 0.901 369 D CB 0.706 41.415 40.800 -0.152 0.000 1.026 369 D HN 0.162 nan 8.370 nan 0.000 0.515 370 F N 0.021 119.821 119.950 -0.251 0.000 2.704 370 F HA 0.141 4.668 4.527 -0.000 0.000 0.304 370 F C 2.171 177.765 175.800 -0.342 0.000 1.094 370 F CA -0.215 57.501 58.000 -0.474 0.000 1.275 370 F CB 0.439 39.023 39.000 -0.693 0.000 1.073 370 F HN 0.220 nan 8.300 nan 0.000 0.586 371 E N 0.918 121.097 120.200 -0.035 0.000 2.110 371 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 371 E C 2.237 178.786 176.600 -0.084 0.000 0.988 371 E CA 0.940 57.317 56.400 -0.038 0.000 0.804 371 E CB 0.115 29.821 29.700 0.009 0.000 0.745 371 E HN 0.305 nan 8.360 nan 0.000 0.458 372 R N 0.179 120.619 120.500 -0.099 0.000 2.091 372 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 372 R C 2.466 178.716 176.300 -0.084 0.000 1.136 372 R CA 1.763 57.812 56.100 -0.084 0.000 0.959 372 R CB -0.284 29.964 30.300 -0.087 0.000 0.856 372 R HN 0.351 nan 8.270 nan 0.000 0.437 373 Q N -0.110 119.603 119.800 -0.145 0.000 2.137 373 Q HA -0.024 4.315 4.340 -0.000 0.000 0.198 373 Q C 1.968 177.848 176.000 -0.199 0.000 0.960 373 Q CA 1.080 56.818 55.803 -0.109 0.000 0.847 373 Q CB 0.049 28.683 28.738 -0.174 0.000 0.915 373 Q HN 0.312 nan 8.270 nan 0.000 0.448 374 A N 0.575 123.196 122.820 -0.333 0.000 1.933 374 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 374 A C 2.235 179.605 177.584 -0.357 0.000 1.175 374 A CA 1.558 53.181 52.037 -0.690 0.000 0.628 374 A CB -1.368 17.118 19.000 -0.857 0.000 0.814 374 A HN 0.597 nan 8.150 nan 0.000 0.444 375 G N 0.251 108.947 108.800 -0.174 0.000 2.469 375 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.219 375 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.219 375 G C 1.356 176.231 174.900 -0.041 0.000 1.150 375 G CA 1.239 46.291 45.100 -0.080 0.000 0.763 375 G HN 0.582 nan 8.290 nan 0.000 0.561 376 N N 0.195 118.907 118.700 0.021 0.000 2.376 376 N HA -0.041 4.699 4.740 -0.000 0.000 0.177 376 N C 2.254 177.922 175.510 0.262 0.000 1.024 376 N CA 0.854 54.005 53.050 0.169 0.000 0.893 376 N CB -0.171 38.506 38.487 0.316 0.000 0.980 376 N HN 0.239 nan 8.380 nan 0.000 0.439 377 V N 1.566 121.499 119.914 0.032 0.000 2.626 377 V HA -0.102 4.017 4.120 -0.000 0.000 0.252 377 V C 2.305 178.304 176.094 -0.158 0.000 1.067 377 V CA 1.014 63.237 62.300 -0.129 0.000 1.081 377 V CB -0.461 31.120 31.823 -0.403 0.000 0.686 377 V HN 0.202 nan 8.190 nan 0.000 0.468 378 L N -0.562 120.549 121.223 -0.186 0.000 2.049 378 L HA -0.152 4.188 4.340 -0.000 0.000 0.203 378 L C 2.628 179.431 176.870 -0.111 0.000 1.074 378 L CA 1.613 56.310 54.840 -0.238 0.000 0.749 378 L CB -0.649 41.276 42.059 -0.224 0.000 0.907 378 L HN 0.282 nan 8.230 nan 0.000 0.439 379 Q N 0.323 120.096 119.800 -0.044 0.000 2.248 379 Q HA -0.275 4.065 4.340 -0.000 0.000 0.208 379 Q C 2.221 178.210 176.000 -0.018 0.000 0.984 379 Q CA 1.661 57.454 55.803 -0.017 0.000 0.875 379 Q CB 0.056 28.796 28.738 0.004 0.000 0.910 379 Q HN 0.272 nan 8.270 nan 0.000 0.433 380 R N -0.611 119.886 120.500 -0.005 0.000 2.210 380 R HA 0.076 4.415 4.340 -0.000 0.000 0.203 380 R C 1.244 177.492 176.300 -0.086 0.000 1.010 380 R CA 0.268 56.356 56.100 -0.020 0.000 1.008 380 R CB 0.263 30.606 30.300 0.072 0.000 0.923 380 R HN 0.260 nan 8.270 nan 0.000 0.469 381 L N 1.199 122.345 121.223 -0.130 0.000 2.629 381 L HA 0.114 4.454 4.340 -0.000 0.000 0.230 381 L C 0.837 177.679 176.870 -0.047 0.000 1.151 381 L CA -0.053 54.705 54.840 -0.136 0.000 0.924 381 L CB 0.376 42.299 42.059 -0.225 0.000 1.137 381 L HN 0.144 nan 8.230 nan 0.000 0.457 382 Q N -0.280 119.499 119.800 -0.036 0.000 2.365 382 Q HA 0.090 4.430 4.340 -0.000 0.000 0.203 382 Q C 1.573 177.567 176.000 -0.009 0.000 0.929 382 Q CA 0.141 55.939 55.803 -0.008 0.000 0.948 382 Q CB 0.278 29.011 28.738 -0.007 0.000 1.043 382 Q HN 0.366 nan 8.270 nan 0.000 0.505 383 R N 1.562 122.051 120.500 -0.020 0.000 2.052 383 R HA -0.023 4.317 4.340 -0.000 0.000 0.224 383 R C 0.432 176.728 176.300 -0.005 0.000 1.149 383 R CA 1.120 57.211 56.100 -0.015 0.000 0.962 383 R CB -0.142 30.144 30.300 -0.024 0.000 0.856 383 R HN 0.316 nan 8.270 nan 0.000 0.433 384 D N 0.814 121.212 120.400 -0.003 0.000 2.456 384 D HA 0.148 4.788 4.640 -0.000 0.000 0.287 384 D C -1.978 174.336 176.300 0.024 0.000 1.186 384 D CA -1.988 52.017 54.000 0.009 0.000 0.916 384 D CB 1.131 41.937 40.800 0.010 0.000 1.029 384 D HN -0.049 nan 8.370 nan 0.000 0.498 385 P HA -0.245 nan 4.420 nan 0.000 0.219 385 P C 0.952 178.287 177.300 0.058 0.000 1.145 385 P CA 1.157 64.287 63.100 0.052 0.000 0.813 385 P CB 0.460 32.180 31.700 0.033 0.000 0.771 386 E N -0.609 119.612 120.200 0.035 0.000 2.268 386 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 386 E C 0.751 177.372 176.600 0.035 0.000 0.995 386 E CA 0.194 56.607 56.400 0.022 0.000 0.836 386 E CB -0.220 29.487 29.700 0.012 0.000 0.763 386 E HN 0.349 nan 8.360 nan 0.000 0.491 387 R N 1.434 121.976 120.500 0.069 0.000 2.502 387 R HA -0.037 4.303 4.340 -0.000 0.000 0.292 387 R C -0.236 176.135 176.300 0.119 0.000 0.998 387 R CA 0.194 56.353 56.100 0.097 0.000 1.056 387 R CB 0.388 30.761 30.300 0.122 0.000 0.939 387 R HN 0.101 nan 8.270 nan 0.000 0.411 388 D N 1.687 122.118 120.400 0.052 0.000 2.380 388 D HA 0.167 4.807 4.640 -0.000 0.000 0.212 388 D C 0.255 176.575 176.300 0.032 0.000 1.021 388 D CA 0.685 54.663 54.000 -0.037 0.000 0.884 388 D CB 0.462 41.217 40.800 -0.075 0.000 1.001 388 D HN 0.389 nan 8.370 nan 0.000 0.506 389 I N -0.133 120.495 120.570 0.096 0.000 2.569 389 I HA 0.415 4.584 4.170 -0.000 0.000 0.296 389 I C -1.320 174.899 176.117 0.170 0.000 1.028 389 I CA -1.274 60.097 61.300 0.118 0.000 1.082 389 I CB 2.130 40.170 38.000 0.066 0.000 1.264 389 I HN -0.220 nan 8.210 nan 0.000 0.429 390 Y N 5.844 126.139 120.300 -0.008 0.000 2.519 390 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 390 Y C -1.424 174.393 175.900 -0.138 0.000 1.089 390 Y CA -0.547 57.487 58.100 -0.110 0.000 1.025 390 Y CB 1.592 40.033 38.460 -0.031 0.000 1.318 390 Y HN 0.678 nan 8.280 nan 0.000 0.452 391 H N 2.599 121.082 119.070 -0.978 0.000 3.140 391 H HA 0.644 5.200 4.556 -0.000 0.000 0.336 391 H C -1.852 173.128 175.328 -0.581 0.000 1.142 391 H CA -0.397 55.149 56.048 -0.837 0.000 1.308 391 H CB 1.674 31.009 29.762 -0.713 0.000 1.970 391 H HN 0.831 nan 8.280 nan 0.000 0.521 392 T N -0.510 113.951 114.554 -0.155 0.000 2.731 392 T HA 0.212 4.562 4.350 -0.000 0.000 0.300 392 T C -0.356 174.504 174.700 0.267 0.000 1.283 392 T CA -0.484 61.673 62.100 0.096 0.000 1.005 392 T CB 2.057 70.947 68.868 0.036 0.000 1.420 392 T HN 0.614 nan 8.240 nan 0.000 0.503 393 D N -0.430 120.066 120.400 0.159 0.000 2.398 393 D HA 0.160 4.800 4.640 -0.000 0.000 0.210 393 D C -0.107 176.215 176.300 0.037 0.000 1.094 393 D CA -0.242 53.815 54.000 0.095 0.000 0.839 393 D CB 0.121 40.925 40.800 0.006 0.000 0.963 393 D HN 0.468 nan 8.370 nan 0.000 0.506 394 N N 0.060 118.785 118.700 0.041 0.000 2.430 394 N HA 0.455 5.195 4.740 -0.000 0.000 0.298 394 N C -0.944 174.745 175.510 0.299 0.000 1.130 394 N CA -0.664 52.422 53.050 0.060 0.000 0.894 394 N CB 2.082 40.531 38.487 -0.063 0.000 1.209 394 N HN 0.114 nan 8.380 nan 0.000 0.503 408 C N 3.877 123.190 119.300 0.021 0.000 2.492 408 C HA 0.351 4.810 4.460 -0.000 0.000 0.362 408 C C 2.284 177.343 174.990 0.114 0.000 1.207 408 C CA -0.250 58.720 59.018 -0.079 0.000 1.626 408 C CB -2.163 25.431 27.740 -0.245 0.000 2.239 408 C HN 0.587 nan 8.230 nan 0.000 0.547 409 C N 3.483 122.856 119.300 0.122 0.000 2.500 409 C HA 0.335 4.794 4.460 -0.000 0.000 0.273 409 C C 1.320 176.438 174.990 0.213 0.000 1.428 409 C CA 0.106 59.243 59.018 0.199 0.000 1.766 409 C CB -1.665 26.164 27.740 0.148 0.000 1.817 409 C HN 0.968 nan 8.230 nan 0.000 0.543 410 G N 0.585 109.515 108.800 0.218 0.000 2.437 410 G HA2 0.577 4.536 3.960 -0.000 0.000 0.315 410 G HA3 0.577 4.536 3.960 -0.000 0.000 0.315 410 G C -1.087 174.052 174.900 0.399 0.000 1.210 410 G CA -0.024 45.259 45.100 0.306 0.000 0.943 410 G HN 0.199 nan 8.290 nan 0.000 0.471 411 V N 4.029 124.101 119.914 0.264 0.000 2.444 411 V HA 0.434 4.554 4.120 -0.000 0.000 0.294 411 V C -0.179 175.733 176.094 -0.303 0.000 1.022 411 V CA -0.812 61.435 62.300 -0.088 0.000 0.850 411 V CB 1.738 33.421 31.823 -0.233 0.000 0.992 411 V HN 0.661 nan 8.190 nan 0.000 0.426 412 L N 4.753 125.667 121.223 -0.514 0.000 2.298 412 L HA 0.869 5.209 4.340 -0.000 0.000 0.284 412 L C -0.063 176.720 176.870 -0.145 0.000 1.013 412 L CA -0.301 54.132 54.840 -0.678 0.000 0.824 412 L CB 1.431 42.659 42.059 -1.384 0.000 1.221 412 L HN 0.799 nan 8.230 nan 0.000 0.418 413 A N 6.483 129.234 122.820 -0.116 0.000 2.371 413 A HA 0.834 5.153 4.320 -0.000 0.000 0.311 413 A C -0.872 176.767 177.584 0.091 0.000 1.068 413 A CA -0.575 51.359 52.037 -0.171 0.000 0.744 413 A CB 1.562 20.412 19.000 -0.250 0.000 1.239 413 A HN 0.717 nan 8.150 nan 0.000 0.435 414 I N -1.200 119.425 120.570 0.092 0.000 2.934 414 I HA 0.815 4.985 4.170 -0.000 0.000 0.306 414 I C -0.497 175.475 176.117 -0.241 0.000 1.110 414 I CA -1.062 60.264 61.300 0.044 0.000 1.019 414 I CB 2.199 40.230 38.000 0.051 0.000 1.227 414 I HN 0.677 nan 8.210 nan 0.000 0.434 415 R N 2.673 122.814 120.500 -0.598 0.000 2.494 415 R HA 0.516 4.856 4.340 -0.000 0.000 0.305 415 R C -0.792 175.257 176.300 -0.419 0.000 0.959 415 R CA -0.604 54.867 56.100 -1.047 0.000 0.864 415 R CB 1.338 30.660 30.300 -1.630 0.000 1.159 415 R HN 0.832 nan 8.270 nan 0.000 0.446 416 F N 0.564 120.271 119.950 -0.406 0.000 2.752 416 F HA 0.406 4.933 4.527 -0.000 0.000 0.310 416 F C -0.173 175.573 175.800 -0.090 0.000 1.097 416 F CA -0.505 57.376 58.000 -0.198 0.000 1.238 416 F CB 0.288 39.210 39.000 -0.131 0.000 1.061 416 F HN 0.490 nan 8.300 nan 0.000 0.591 417 H N 0.355 119.007 119.070 -0.697 0.000 3.240 417 H HA 0.500 5.056 4.556 -0.000 0.000 0.326 417 H C 0.485 175.562 175.328 -0.417 0.000 1.015 417 H CA -0.886 54.900 56.048 -0.438 0.000 1.504 417 H CB 1.115 30.654 29.762 -0.371 0.000 1.754 417 H HN -0.002 nan 8.280 nan 0.000 0.505 418 R N 1.774 121.944 120.500 -0.550 0.000 2.090 418 R HA -0.040 4.300 4.340 -0.000 0.000 0.228 418 R C 1.680 177.807 176.300 -0.288 0.000 1.110 418 R CA 1.206 57.082 56.100 -0.372 0.000 0.973 418 R CB 0.184 30.316 30.300 -0.282 0.000 0.869 418 R HN 0.652 nan 8.270 nan 0.000 0.440 419 Q N 0.533 120.081 119.800 -0.420 0.000 2.226 419 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 419 Q C 0.496 176.486 176.000 -0.016 0.000 0.975 419 Q CA 1.208 56.901 55.803 -0.184 0.000 0.866 419 Q CB 0.221 28.864 28.738 -0.158 0.000 0.915 419 Q HN 0.462 nan 8.270 nan 0.000 0.440 420 E N 0.178 120.433 120.200 0.093 0.000 2.789 420 E HA 0.066 4.415 4.350 -0.000 0.000 0.208 420 E C -0.518 176.115 176.600 0.055 0.000 0.988 420 E CA 0.031 56.503 56.400 0.120 0.000 1.092 420 E CB 0.891 30.689 29.700 0.164 0.000 1.066 420 E HN 0.234 nan 8.360 nan 0.000 0.465 421 S N -0.616 115.083 115.700 -0.003 0.000 3.628 421 S HA -0.184 4.286 4.470 -0.000 0.000 0.373 421 S C 0.356 174.904 174.600 -0.086 0.000 0.968 421 S CA 0.232 58.458 58.200 0.043 0.000 1.215 421 S CB -2.200 61.130 63.200 0.217 0.000 0.912 421 S HN 0.424 nan 8.310 nan 0.000 0.495 422 G N 0.776 109.253 108.800 -0.539 0.000 2.396 422 G HA2 0.445 4.405 3.960 -0.000 0.000 0.292 422 G HA3 0.445 4.405 3.960 -0.000 0.000 0.292 422 G C -0.317 173.892 174.900 -1.152 0.000 1.106 422 G CA -0.694 43.679 45.100 -1.212 0.000 1.055 422 G HN 0.594 nan 8.290 nan 0.000 0.424 423 W N 1.435 122.600 121.300 -0.225 0.000 2.864 423 W HA 0.680 5.340 4.660 -0.000 0.000 0.343 423 W C -0.142 176.403 176.519 0.043 0.000 1.109 423 W CA -0.836 56.464 57.345 -0.076 0.000 1.192 423 W CB 2.048 31.446 29.460 -0.103 0.000 1.426 423 W HN 0.200 nan 8.180 nan 0.000 0.529 424 I N 2.319 122.904 120.570 0.025 0.000 2.545 424 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 424 I C -1.241 174.489 176.117 -0.644 0.000 1.040 424 I CA -0.960 60.185 61.300 -0.259 0.000 1.068 424 I CB 1.586 39.410 38.000 -0.293 0.000 1.251 424 I HN 0.173 nan 8.210 nan 0.000 0.424 425 F N 3.678 123.347 119.950 -0.468 0.000 2.556 425 F HA 0.530 5.057 4.527 -0.000 0.000 0.314 425 F C -1.193 174.139 175.800 -0.780 0.000 1.106 425 F CA -0.471 57.210 58.000 -0.531 0.000 0.911 425 F CB 1.964 40.808 39.000 -0.260 0.000 1.190 425 F HN 0.308 nan 8.300 nan 0.000 0.448 426 W N 3.435 124.576 121.300 -0.266 0.000 2.683 426 W HA 0.693 5.353 4.660 -0.000 0.000 0.329 426 W C -1.667 174.758 176.519 -0.155 0.000 1.037 426 W CA -1.180 56.101 57.345 -0.106 0.000 1.232 426 W CB 0.718 30.173 29.460 -0.007 0.000 1.390 426 W HN 0.134 nan 8.180 nan 0.000 0.465 427 F N 2.005 122.153 119.950 0.329 0.000 2.556 427 F HA 0.771 5.298 4.527 -0.000 0.000 0.327 427 F C 0.498 176.455 175.800 0.263 0.000 1.059 427 F CA -1.351 56.832 58.000 0.305 0.000 0.953 427 F CB 1.845 41.011 39.000 0.277 0.000 1.227 427 F HN 0.084 nan 8.300 nan 0.000 0.478 428 R N 0.150 120.857 120.500 0.345 0.000 2.651 428 R HA 0.405 4.745 4.340 -0.000 0.000 0.278 428 R C -1.330 175.013 176.300 0.072 0.000 1.010 428 R CA -1.109 55.083 56.100 0.153 0.000 0.896 428 R CB 2.134 32.403 30.300 -0.052 0.000 1.211 428 R HN 0.697 nan 8.270 nan 0.000 0.456 429 H N 0.621 119.775 119.070 0.140 0.000 2.490 429 H HA 0.141 4.697 4.556 -0.000 0.000 0.354 429 H C -0.090 175.276 175.328 0.064 0.000 1.365 429 H CA -0.238 55.876 56.048 0.110 0.000 1.413 429 H CB 0.737 30.556 29.762 0.096 0.000 1.631 429 H HN 0.351 nan 8.280 nan 0.000 0.607 430 E N 0.904 121.229 120.200 0.208 0.000 2.415 430 E HA -0.048 4.302 4.350 -0.000 0.000 0.262 430 E C -0.421 176.229 176.600 0.084 0.000 1.038 430 E CA 0.116 56.578 56.400 0.103 0.000 0.921 430 E CB 0.397 30.143 29.700 0.076 0.000 0.950 430 E HN 0.469 nan 8.360 nan 0.000 0.438 431 E N 2.507 122.728 120.200 0.036 0.000 2.463 431 E HA -0.003 4.347 4.350 -0.000 0.000 0.248 431 E C 0.337 176.998 176.600 0.100 0.000 1.106 431 E CA -0.131 56.307 56.400 0.065 0.000 0.946 431 E CB 0.011 29.745 29.700 0.057 0.000 0.971 431 E HN 0.406 nan 8.360 nan 0.000 0.478 446 T N 2.883 117.432 114.554 -0.008 0.000 2.882 446 T HA 0.664 5.013 4.350 -0.000 0.000 0.287 446 T C -0.288 174.401 174.700 -0.019 0.000 0.992 446 T CA -0.252 61.842 62.100 -0.009 0.000 1.076 446 T CB 0.787 69.652 68.868 -0.005 0.000 0.961 446 T HN 0.208 nan 8.240 nan 0.000 0.490 447 I N 1.408 121.966 120.570 -0.019 0.000 2.865 447 I HA 0.729 4.899 4.170 -0.000 0.000 0.302 447 I C 0.295 176.396 176.117 -0.025 0.000 1.140 447 I CA -1.155 60.128 61.300 -0.028 0.000 1.021 447 I CB 1.193 39.180 38.000 -0.020 0.000 1.233 447 I HN 0.759 nan 8.210 nan 0.000 0.427 448 G N 2.730 111.509 108.800 -0.035 0.000 2.528 448 G HA2 0.570 4.530 3.960 -0.000 0.000 0.289 448 G HA3 0.570 4.530 3.960 -0.000 0.000 0.289 448 G C -2.069 172.824 174.900 -0.012 0.000 1.192 448 G CA -1.185 43.900 45.100 -0.026 0.000 0.921 448 G HN 0.570 nan 8.290 nan 0.000 0.512 449 P HA 0.020 nan 4.420 nan 0.000 0.234 449 P C 1.287 178.590 177.300 0.006 0.000 1.167 449 P CA 1.194 64.297 63.100 0.004 0.000 0.763 449 P CB 0.435 32.141 31.700 0.010 0.000 0.835 450 S N -3.322 112.379 115.700 0.003 0.000 2.604 450 S HA 0.566 5.036 4.470 -0.000 0.000 0.235 450 S C 0.843 175.444 174.600 0.001 0.000 1.043 450 S CA 0.146 58.350 58.200 0.007 0.000 0.997 450 S CB 0.519 63.729 63.200 0.017 0.000 0.956 450 S HN 0.316 nan 8.310 nan 0.000 0.535 451 G N 1.737 110.531 108.800 -0.011 0.000 2.361 451 G HA2 0.274 4.234 3.960 -0.000 0.000 0.331 451 G HA3 0.274 4.234 3.960 -0.000 0.000 0.331 451 G C -2.971 171.908 174.900 -0.035 0.000 1.324 451 G CA -0.317 44.774 45.100 -0.014 0.000 0.984 451 G HN -0.005 nan 8.290 nan 0.000 0.586 452 P HA 0.069 nan 4.420 nan 0.000 0.226 452 P C 1.732 178.993 177.300 -0.064 0.000 1.161 452 P CA 0.435 63.506 63.100 -0.048 0.000 0.804 452 P CB 0.117 31.805 31.700 -0.020 0.000 0.829 453 R N 0.716 121.198 120.500 -0.030 0.000 2.226 453 R HA -0.098 4.242 4.340 -0.000 0.000 0.246 453 R C 0.554 176.827 176.300 -0.044 0.000 1.161 453 R CA 0.853 56.951 56.100 -0.005 0.000 0.997 453 R CB -1.190 29.126 30.300 0.027 0.000 0.870 453 R HN 0.261 nan 8.270 nan 0.000 0.465 454 L N 2.537 123.673 121.223 -0.145 0.000 2.533 454 L HA 0.090 4.430 4.340 -0.000 0.000 0.239 454 L C -0.124 176.221 176.870 -0.874 0.000 1.376 454 L CA -0.026 54.558 54.840 -0.427 0.000 1.240 454 L CB 0.141 42.030 42.059 -0.283 0.000 1.487 454 L HN 0.158 nan 8.230 nan 0.000 0.419 455 T N -4.155 110.033 114.554 -0.611 0.000 2.885 455 T HA 0.317 4.667 4.350 -0.000 0.000 0.322 455 T C -2.453 172.212 174.700 -0.059 0.000 1.387 455 T CA -1.482 60.361 62.100 -0.430 0.000 1.041 455 T CB 1.941 70.692 68.868 -0.196 0.000 1.287 455 T HN -0.243 nan 8.240 nan 0.000 0.491 456 P HA -0.156 nan 4.420 nan 0.000 0.218 456 P C 1.550 178.920 177.300 0.117 0.000 1.154 456 P CA 1.201 64.335 63.100 0.057 0.000 0.872 456 P CB 0.125 31.804 31.700 -0.034 0.000 0.790 457 R N -0.603 119.953 120.500 0.093 0.000 2.090 457 R HA -0.028 4.311 4.340 -0.000 0.000 0.228 457 R C 2.322 178.712 176.300 0.149 0.000 1.110 457 R CA 1.633 57.802 56.100 0.115 0.000 0.973 457 R CB -1.095 29.241 30.300 0.062 0.000 0.869 457 R HN 0.159 nan 8.270 nan 0.000 0.440 458 G N -1.004 107.850 108.800 0.089 0.000 2.559 458 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 458 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 458 G C 1.124 176.105 174.900 0.135 0.000 1.126 458 G CA 0.578 45.728 45.100 0.084 0.000 0.778 458 G HN 0.289 nan 8.290 nan 0.000 0.543 459 S N -0.753 115.057 115.700 0.183 0.000 2.483 459 S HA 0.137 4.606 4.470 -0.000 0.000 0.221 459 S C 1.557 176.312 174.600 0.259 0.000 1.030 459 S CA -0.460 57.870 58.200 0.217 0.000 0.925 459 S CB -0.095 63.243 63.200 0.230 0.000 0.795 459 S HN 0.387 nan 8.310 nan 0.000 0.511 460 F N 2.703 122.737 119.950 0.140 0.000 2.365 460 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 460 F C 1.879 177.842 175.800 0.272 0.000 1.090 460 F CA 1.149 59.252 58.000 0.172 0.000 1.408 460 F CB 0.101 39.164 39.000 0.105 0.000 1.060 460 F HN 0.185 nan 8.300 nan 0.000 0.534 461 E N -0.286 120.110 120.200 0.328 0.000 2.216 461 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 461 E C 2.156 178.831 176.600 0.125 0.000 0.973 461 E CA 0.592 57.124 56.400 0.220 0.000 0.851 461 E CB -0.212 29.601 29.700 0.189 0.000 0.804 461 E HN 0.352 nan 8.360 nan 0.000 0.477 462 A N 0.345 123.250 122.820 0.140 0.000 2.216 462 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 462 A C 1.593 179.238 177.584 0.102 0.000 1.160 462 A CA 0.673 52.770 52.037 0.101 0.000 0.725 462 A CB -0.590 18.479 19.000 0.114 0.000 0.784 462 A HN 0.538 nan 8.150 nan 0.000 0.472 463 W N -0.171 121.065 121.300 -0.106 0.000 2.808 463 W HA 0.206 4.866 4.660 -0.000 0.000 0.266 463 W C 1.316 177.712 176.519 -0.205 0.000 1.247 463 W CA 0.657 57.895 57.345 -0.179 0.000 1.440 463 W CB 0.368 29.672 29.460 -0.261 0.000 1.040 463 W HN 0.311 nan 8.180 nan 0.000 0.606 464 E N 0.480 120.557 120.200 -0.204 0.000 2.516 464 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 464 E C 1.319 177.748 176.600 -0.285 0.000 1.069 464 E CA 0.957 57.141 56.400 -0.360 0.000 0.876 464 E CB 0.163 29.819 29.700 -0.074 0.000 0.843 464 E HN 0.527 nan 8.360 nan 0.000 0.530 465 E N -0.709 119.356 120.200 -0.226 0.000 2.290 465 E HA -0.006 4.343 4.350 -0.000 0.000 0.199 465 E C 1.930 178.403 176.600 -0.211 0.000 0.912 465 E CA 0.088 56.392 56.400 -0.160 0.000 0.924 465 E CB 0.404 30.059 29.700 -0.076 0.000 0.901 465 E HN 0.009 nan 8.360 nan 0.000 0.487 466 V N 1.820 121.571 119.914 -0.273 0.000 2.427 466 V HA -0.152 3.967 4.120 -0.000 0.000 0.248 466 V C 2.117 177.930 176.094 -0.469 0.000 1.051 466 V CA 1.810 63.926 62.300 -0.306 0.000 1.048 466 V CB 0.188 31.872 31.823 -0.231 0.000 0.666 466 V HN 0.276 nan 8.190 nan 0.000 0.456 467 V N -2.855 116.683 119.914 -0.627 0.000 3.376 467 V HA 0.410 4.530 4.120 -0.000 0.000 0.313 467 V C 0.820 176.714 176.094 -0.333 0.000 1.393 467 V CA -0.369 61.581 62.300 -0.583 0.000 1.125 467 V CB -0.225 31.114 31.823 -0.807 0.000 1.037 467 V HN 0.188 nan 8.190 nan 0.000 0.440 468 R N 1.506 121.855 120.500 -0.252 0.000 2.389 468 R HA 0.547 4.887 4.340 -0.000 0.000 0.295 468 R C 1.430 177.755 176.300 0.042 0.000 1.075 468 R CA 0.727 56.763 56.100 -0.107 0.000 1.005 468 R CB 0.607 30.844 30.300 -0.104 0.000 0.987 468 R HN 0.731 nan 8.270 nan 0.000 0.452 469 G N 2.016 110.843 108.800 0.046 0.000 2.336 469 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.233 469 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.233 469 G C 0.142 175.059 174.900 0.028 0.000 1.053 469 G CA 0.275 45.407 45.100 0.053 0.000 0.625 469 G HN 0.645 nan 8.290 nan 0.000 0.511 470 H N 0.569 119.612 119.070 -0.045 0.000 2.534 470 H HA 0.797 5.353 4.556 -0.000 0.000 0.364 470 H C 0.628 175.931 175.328 -0.042 0.000 1.328 470 H CA 0.664 56.689 56.048 -0.039 0.000 1.415 470 H CB 1.515 31.232 29.762 -0.075 0.000 1.573 470 H HN 0.436 nan 8.280 nan 0.000 0.601 471 S N -1.212 114.530 115.700 0.069 0.000 2.705 471 S HA 0.293 4.763 4.470 -0.000 0.000 0.280 471 S C -1.047 173.501 174.600 -0.088 0.000 1.174 471 S CA -0.895 57.298 58.200 -0.011 0.000 0.823 471 S CB 0.620 63.803 63.200 -0.027 0.000 1.162 471 S HN 0.640 nan 8.310 nan 0.000 0.487 472 T N 4.260 118.722 114.554 -0.154 0.000 2.758 472 T HA 0.235 4.585 4.350 -0.000 0.000 0.281 472 T C -2.429 172.017 174.700 -0.423 0.000 0.963 472 T CA -0.216 61.750 62.100 -0.224 0.000 1.201 472 T CB -0.319 68.415 68.868 -0.224 0.000 0.906 472 T HN 0.384 nan 8.240 nan 0.000 0.528 473 P HA -0.010 nan 4.420 nan 0.000 0.269 473 P C -0.570 176.430 177.300 -0.499 0.000 1.205 473 P CA -0.236 62.649 63.100 -0.358 0.000 0.780 473 P CB 0.391 31.921 31.700 -0.284 0.000 0.858 474 W N 1.507 122.672 121.300 -0.224 0.000 2.416 474 W HA 0.272 4.932 4.660 -0.000 0.000 0.318 474 W C 0.745 177.089 176.519 -0.292 0.000 1.150 474 W CA -0.225 56.955 57.345 -0.276 0.000 1.392 474 W CB -0.039 29.190 29.460 -0.385 0.000 1.311 474 W HN 0.275 nan 8.180 nan 0.000 0.436 475 S N 0.707 116.377 115.700 -0.051 0.000 2.580 475 S HA -0.076 4.394 4.470 -0.000 0.000 0.266 475 S C 1.273 175.838 174.600 -0.059 0.000 1.354 475 S CA -0.101 58.057 58.200 -0.070 0.000 1.008 475 S CB 1.155 64.329 63.200 -0.045 0.000 0.898 475 S HN 0.663 nan 8.310 nan 0.000 0.555 476 E N 1.237 121.415 120.200 -0.036 0.000 2.219 476 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 476 E C 1.525 178.100 176.600 -0.041 0.000 0.998 476 E CA 2.125 58.509 56.400 -0.027 0.000 0.818 476 E CB -0.696 29.008 29.700 0.007 0.000 0.741 476 E HN 0.771 nan 8.360 nan 0.000 0.477 477 T N 0.551 115.082 114.554 -0.039 0.000 2.770 477 T HA -0.091 4.259 4.350 -0.000 0.000 0.258 477 T C 1.138 175.789 174.700 -0.081 0.000 1.039 477 T CA 0.983 63.054 62.100 -0.048 0.000 1.143 477 T CB -0.404 68.443 68.868 -0.035 0.000 0.866 477 T HN 0.219 nan 8.240 nan 0.000 0.428 478 D N 1.674 122.024 120.400 -0.084 0.000 2.133 478 D HA -0.110 4.530 4.640 -0.000 0.000 0.192 478 D C 2.136 178.313 176.300 -0.204 0.000 1.001 478 D CA 1.049 54.969 54.000 -0.134 0.000 0.844 478 D CB -0.518 40.277 40.800 -0.009 0.000 0.944 478 D HN 0.306 nan 8.370 nan 0.000 0.447 479 L N 0.691 121.809 121.223 -0.176 0.000 2.017 479 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 479 L C 2.595 179.389 176.870 -0.127 0.000 1.073 479 L CA 1.215 55.943 54.840 -0.188 0.000 0.745 479 L CB -0.509 41.448 42.059 -0.170 0.000 0.894 479 L HN -0.021 nan 8.230 nan 0.000 0.432 480 A N -0.307 122.457 122.820 -0.095 0.000 2.070 480 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 480 A C 2.173 179.710 177.584 -0.078 0.000 1.159 480 A CA 1.440 53.437 52.037 -0.067 0.000 0.656 480 A CB -0.533 18.437 19.000 -0.049 0.000 0.800 480 A HN 0.407 nan 8.150 nan 0.000 0.453 481 I N -1.171 119.330 120.570 -0.116 0.000 2.512 481 I HA -0.055 4.114 4.170 -0.000 0.000 0.247 481 I C 2.839 178.877 176.117 -0.132 0.000 1.094 481 I CA 0.747 61.972 61.300 -0.125 0.000 1.427 481 I CB -0.312 37.588 38.000 -0.165 0.000 1.149 481 I HN 0.261 nan 8.210 nan 0.000 0.438 482 A N 0.272 122.965 122.820 -0.210 0.000 2.032 482 A HA -0.242 4.078 4.320 -0.000 0.000 0.221 482 A C 2.215 179.776 177.584 -0.038 0.000 1.165 482 A CA 1.720 53.672 52.037 -0.142 0.000 0.645 482 A CB -0.450 18.407 19.000 -0.239 0.000 0.807 482 A HN 0.366 nan 8.150 nan 0.000 0.453 483 E N -0.114 120.052 120.200 -0.057 0.000 2.076 483 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 483 E C 1.701 178.289 176.600 -0.021 0.000 0.979 483 E CA 0.715 57.098 56.400 -0.029 0.000 0.807 483 E CB -0.160 29.522 29.700 -0.030 0.000 0.761 483 E HN 0.444 nan 8.360 nan 0.000 0.454 484 K N 0.668 121.050 120.400 -0.029 0.000 2.362 484 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 484 K C 1.868 178.459 176.600 -0.015 0.000 1.046 484 K CA 0.182 56.456 56.287 -0.022 0.000 0.952 484 K CB 0.080 32.563 32.500 -0.027 0.000 0.753 484 K HN 0.164 nan 8.250 nan 0.000 0.466 485 L N 0.744 121.963 121.223 -0.006 0.000 2.354 485 L HA 0.003 4.343 4.340 -0.000 0.000 0.212 485 L C 2.319 179.180 176.870 -0.015 0.000 1.091 485 L CA 0.899 55.741 54.840 0.004 0.000 0.828 485 L CB -0.253 41.847 42.059 0.068 0.000 0.973 485 L HN 0.094 nan 8.230 nan 0.000 0.461 486 R N -0.295 120.208 120.500 0.004 0.000 2.057 486 R HA -0.152 4.187 4.340 -0.000 0.000 0.229 486 R C 2.232 178.539 176.300 0.011 0.000 1.136 486 R CA 1.147 57.254 56.100 0.011 0.000 0.952 486 R CB -0.237 30.072 30.300 0.014 0.000 0.848 486 R HN 0.199 nan 8.270 nan 0.000 0.430 487 L N 1.930 123.155 121.223 0.002 0.000 2.043 487 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 487 L C 1.918 178.789 176.870 0.003 0.000 1.075 487 L CA 1.928 56.770 54.840 0.003 0.000 0.752 487 L CB -0.861 41.196 42.059 -0.004 0.000 0.891 487 L HN 0.256 nan 8.230 nan 0.000 0.432 488 D N -1.149 119.245 120.400 -0.010 0.000 2.182 488 D HA -0.153 4.486 4.640 -0.000 0.000 0.201 488 D C 2.305 178.590 176.300 -0.025 0.000 0.986 488 D CA 0.973 54.962 54.000 -0.018 0.000 0.847 488 D CB 0.006 40.789 40.800 -0.028 0.000 0.942 488 D HN 0.256 nan 8.370 nan 0.000 0.467 489 L N -0.532 120.665 121.223 -0.043 0.000 2.249 489 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 489 L C 2.316 179.234 176.870 0.079 0.000 1.090 489 L CA 0.206 55.012 54.840 -0.056 0.000 0.802 489 L CB -0.229 41.659 42.059 -0.284 0.000 0.947 489 L HN 0.080 nan 8.230 nan 0.000 0.453 490 M N 0.001 119.656 119.600 0.092 0.000 2.082 490 M HA -0.259 4.221 4.480 -0.000 0.000 0.258 490 M C 2.142 178.493 176.300 0.085 0.000 1.069 490 M CA 1.830 57.192 55.300 0.102 0.000 1.102 490 M CB -0.714 31.918 32.600 0.053 0.000 1.336 490 M HN 0.169 nan 8.290 nan 0.000 0.404 491 E N 0.467 120.699 120.200 0.053 0.000 2.268 491 E HA -0.111 4.238 4.350 -0.000 0.000 0.195 491 E C 1.647 178.283 176.600 0.059 0.000 0.995 491 E CA 0.877 57.304 56.400 0.045 0.000 0.836 491 E CB -0.046 29.667 29.700 0.023 0.000 0.763 491 E HN 0.301 nan 8.360 nan 0.000 0.491 492 L N -0.815 120.449 121.223 0.069 0.000 2.446 492 L HA 0.043 4.383 4.340 -0.000 0.000 0.219 492 L C 1.715 178.690 176.870 0.175 0.000 1.116 492 L CA 0.505 55.403 54.840 0.097 0.000 0.844 492 L CB 0.093 42.190 42.059 0.063 0.000 0.970 492 L HN 0.296 nan 8.230 nan 0.000 0.457 493 C N -1.276 118.111 119.300 0.147 0.000 2.538 493 C HA 0.052 4.512 4.460 -0.000 0.000 0.281 493 C C 2.387 177.470 174.990 0.154 0.000 1.320 493 C CA -0.140 58.955 59.018 0.128 0.000 1.714 493 C CB -0.487 27.330 27.740 0.129 0.000 2.095 493 C HN 0.368 nan 8.230 nan 0.000 0.497 494 L N 1.748 123.059 121.223 0.145 0.000 2.549 494 L HA -0.055 4.285 4.340 -0.000 0.000 0.229 494 L C 1.962 178.891 176.870 0.097 0.000 1.158 494 L CA 0.792 55.703 54.840 0.118 0.000 0.842 494 L CB -0.761 41.349 42.059 0.086 0.000 0.952 494 L HN 0.451 nan 8.230 nan 0.000 0.452 495 N N -0.330 118.437 118.700 0.111 0.000 2.412 495 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 495 N C 1.188 176.705 175.510 0.011 0.000 1.101 495 N CA 0.572 53.654 53.050 0.054 0.000 0.881 495 N CB 0.059 38.565 38.487 0.032 0.000 0.969 495 N HN 0.351 nan 8.380 nan 0.000 0.459 496 H N -0.595 118.483 119.070 0.014 0.000 2.555 496 H HA 0.321 4.877 4.556 -0.000 0.000 0.283 496 H C 1.498 176.833 175.328 0.012 0.000 1.037 496 H CA 0.361 56.414 56.048 0.008 0.000 1.169 496 H CB 0.130 29.892 29.762 -0.000 0.000 1.375 496 H HN 0.181 nan 8.280 nan 0.000 0.582 497 A N 0.096 122.966 122.820 0.082 0.000 2.178 497 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 497 A C 0.873 178.472 177.584 0.025 0.000 1.157 497 A CA 0.765 52.833 52.037 0.052 0.000 0.689 497 A CB -0.225 18.798 19.000 0.038 0.000 0.787 497 A HN 0.301 nan 8.150 nan 0.000 0.465 498 L N 0.000 121.221 121.223 -0.004 0.000 2.949 498 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 498 L CA 0.000 54.828 54.840 -0.021 0.000 0.813 498 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 498 L HN 0.000 nan 8.230 nan 0.000 0.502