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 3oe7_1_L DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.507 175.510 -0.005 0.000 1.280 26 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 26 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 27 L N 1.359 122.578 121.223 -0.006 0.000 2.599 27 L HA 0.144 4.484 4.340 -0.000 0.000 0.230 27 L C 1.040 177.874 176.870 -0.060 0.000 1.141 27 L CA 0.280 55.105 54.840 -0.026 0.000 0.877 27 L CB -0.013 42.032 42.059 -0.024 0.000 1.009 27 L HN 0.376 nan 8.230 nan 0.000 0.447 28 N N -0.221 118.451 118.700 -0.046 0.000 2.250 28 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 28 N C 1.565 177.046 175.510 -0.049 0.000 1.017 28 N CA 0.932 53.951 53.050 -0.051 0.000 0.866 28 N CB 0.138 38.602 38.487 -0.037 0.000 0.985 28 N HN 0.155 nan 8.380 nan 0.000 0.429 29 E N -0.475 119.701 120.200 -0.039 0.000 2.431 29 E HA 0.096 4.446 4.350 -0.000 0.000 0.200 29 E C 0.536 177.108 176.600 -0.047 0.000 0.995 29 E CA 0.343 56.720 56.400 -0.038 0.000 0.915 29 E CB 0.208 29.892 29.700 -0.026 0.000 0.930 29 E HN 0.441 nan 8.360 nan 0.000 0.496 30 T N -2.319 112.207 114.554 -0.047 0.000 2.910 30 T HA 0.798 5.148 4.350 -0.000 0.000 0.287 30 T C 0.359 175.023 174.700 -0.059 0.000 1.050 30 T CA -0.605 61.462 62.100 -0.055 0.000 1.011 30 T CB 2.457 71.304 68.868 -0.036 0.000 1.195 30 T HN -0.001 nan 8.240 nan 0.000 0.540 31 G N -0.283 108.480 108.800 -0.063 0.000 2.708 31 G HA2 0.668 4.628 3.960 -0.000 0.000 0.289 31 G HA3 0.668 4.628 3.960 -0.000 0.000 0.289 31 G C -1.638 173.268 174.900 0.011 0.000 1.416 31 G CA -1.118 43.964 45.100 -0.030 0.000 0.829 31 G HN 0.750 nan 8.290 nan 0.000 0.480 32 R N -0.002 120.558 120.500 0.100 0.000 2.561 32 R HA 0.446 4.786 4.340 -0.000 0.000 0.297 32 R C -0.707 175.662 176.300 0.114 0.000 0.969 32 R CA -0.739 55.419 56.100 0.096 0.000 0.879 32 R CB 2.517 32.879 30.300 0.103 0.000 1.178 32 R HN 0.328 nan 8.270 nan 0.000 0.445 33 V N 5.567 125.540 119.914 0.099 0.000 2.475 33 V HA -0.089 4.031 4.120 -0.000 0.000 0.292 33 V C 1.612 177.763 176.094 0.095 0.000 1.003 33 V CA 0.719 63.097 62.300 0.129 0.000 1.120 33 V CB 0.224 32.154 31.823 0.178 0.000 0.937 33 V HN 0.742 nan 8.190 nan 0.000 0.476 34 L N 4.607 125.887 121.223 0.096 0.000 2.102 34 L HA 0.365 4.705 4.340 -0.000 0.000 0.202 34 L C 0.981 177.877 176.870 0.043 0.000 1.076 34 L CA 1.363 56.240 54.840 0.062 0.000 0.761 34 L CB -0.073 42.033 42.059 0.078 0.000 0.921 34 L HN 0.775 nan 8.230 nan 0.000 0.444 35 A N -1.093 121.758 122.820 0.052 0.000 2.594 35 A HA 0.677 4.997 4.320 -0.000 0.000 0.295 35 A C -1.717 175.889 177.584 0.036 0.000 1.071 35 A CA -0.401 51.656 52.037 0.035 0.000 0.685 35 A CB 2.031 21.044 19.000 0.022 0.000 1.285 35 A HN -0.205 nan 8.150 nan 0.000 0.405 36 V N 0.437 120.361 119.914 0.017 0.000 2.817 36 V HA 0.899 5.019 4.120 -0.000 0.000 0.303 36 V C -0.153 175.930 176.094 -0.018 0.000 1.151 36 V CA 0.869 63.168 62.300 -0.001 0.000 0.929 36 V CB 1.861 33.679 31.823 -0.008 0.000 1.030 36 V HN 2.366 nan 8.190 nan 0.000 0.427 37 G N 3.118 111.900 108.800 -0.029 0.000 2.451 37 G HA2 0.514 4.474 3.960 -0.000 0.000 0.292 37 G HA3 0.514 4.474 3.960 -0.000 0.000 0.292 37 G C -0.767 174.110 174.900 -0.038 0.000 1.427 37 G CA 0.207 45.287 45.100 -0.032 0.000 0.792 37 G HN 0.916 nan 8.290 nan 0.000 0.498 38 D N -1.087 119.292 120.400 -0.035 0.000 2.882 38 D HA -0.204 4.436 4.640 -0.000 0.000 0.229 38 D C 1.578 177.851 176.300 -0.045 0.000 1.167 38 D CA 2.639 56.618 54.000 -0.035 0.000 0.759 38 D CB -1.276 39.505 40.800 -0.031 0.000 1.088 38 D HN 2.281 nan 8.370 nan 0.000 0.425 39 G N -0.801 107.964 108.800 -0.059 0.000 2.179 39 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 39 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 39 G C 0.160 175.005 174.900 -0.091 0.000 1.010 39 G CA 0.495 45.548 45.100 -0.079 0.000 0.736 39 G HN 0.488 nan 8.290 nan 0.000 0.513 40 I N 0.298 120.824 120.570 -0.073 0.000 2.509 40 I HA 0.766 4.936 4.170 -0.000 0.000 0.293 40 I C 0.330 176.426 176.117 -0.036 0.000 1.020 40 I CA -1.242 60.023 61.300 -0.058 0.000 1.088 40 I CB 1.635 39.609 38.000 -0.043 0.000 1.267 40 I HN 0.394 nan 8.210 nan 0.000 0.430 41 A N 6.654 129.477 122.820 0.004 0.000 2.343 41 A HA 0.718 5.038 4.320 -0.000 0.000 0.308 41 A C -0.332 177.306 177.584 0.090 0.000 1.092 41 A CA -0.747 51.333 52.037 0.071 0.000 0.751 41 A CB 1.069 20.172 19.000 0.172 0.000 1.203 41 A HN 0.688 nan 8.150 nan 0.000 0.452 42 R N 1.425 121.970 120.500 0.075 0.000 2.202 42 R HA 0.514 4.854 4.340 -0.000 0.000 0.334 42 R C -0.982 175.376 176.300 0.097 0.000 1.036 42 R CA -0.215 55.928 56.100 0.071 0.000 0.878 42 R CB 1.315 31.646 30.300 0.053 0.000 1.067 42 R HN 0.475 nan 8.270 nan 0.000 0.457 43 V N 4.414 124.381 119.914 0.087 0.000 2.555 43 V HA 0.346 4.466 4.120 -0.000 0.000 0.302 43 V C -0.484 175.677 176.094 0.112 0.000 1.038 43 V CA -0.908 61.447 62.300 0.091 0.000 0.887 43 V CB 1.579 33.419 31.823 0.028 0.000 0.991 43 V HN 0.527 nan 8.190 nan 0.000 0.434 44 F N 3.402 123.347 119.950 -0.009 0.000 2.385 44 F HA 0.750 5.276 4.527 -0.000 0.000 0.336 44 F C 0.844 176.631 175.800 -0.023 0.000 1.100 44 F CA 1.358 59.350 58.000 -0.012 0.000 1.116 44 F CB 1.046 40.041 39.000 -0.007 0.000 1.166 44 F HN 0.941 nan 8.300 nan 0.000 0.511 45 G N 3.984 112.397 108.800 -0.645 0.000 2.481 45 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.230 45 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.230 45 G C -0.006 174.752 174.900 -0.236 0.000 1.210 45 G CA -0.456 44.384 45.100 -0.433 0.000 0.936 45 G HN 1.436 nan 8.290 nan 0.000 0.583 46 L N -0.440 120.693 121.223 -0.151 0.000 3.660 46 L HA -0.199 4.141 4.340 -0.000 0.000 0.440 46 L C 1.388 178.193 176.870 -0.109 0.000 1.262 46 L CA 0.534 55.307 54.840 -0.111 0.000 0.837 46 L CB -1.441 40.558 42.059 -0.100 0.000 1.689 46 L HN 0.645 nan 8.230 nan 0.000 0.890 47 N N 0.062 118.690 118.700 -0.120 0.000 2.573 47 N HA -0.069 4.671 4.740 -0.000 0.000 0.187 47 N C 1.112 176.579 175.510 -0.072 0.000 1.107 47 N CA 0.866 53.851 53.050 -0.108 0.000 0.918 47 N CB -0.056 38.362 38.487 -0.114 0.000 0.966 47 N HN 0.566 nan 8.380 nan 0.000 0.448 48 N N 0.277 118.941 118.700 -0.060 0.000 2.177 48 N HA 0.187 4.927 4.740 -0.000 0.000 0.218 48 N C 0.130 175.619 175.510 -0.035 0.000 1.182 48 N CA -0.216 52.809 53.050 -0.042 0.000 0.882 48 N CB 1.207 39.673 38.487 -0.035 0.000 1.052 48 N HN 0.246 nan 8.380 nan 0.000 0.519 49 I N 1.221 121.766 120.570 -0.041 0.000 2.836 49 I HA -0.037 4.133 4.170 -0.000 0.000 0.285 49 I C 0.052 176.156 176.117 -0.022 0.000 1.174 49 I CA -0.095 61.186 61.300 -0.032 0.000 1.405 49 I CB 0.696 38.671 38.000 -0.040 0.000 1.385 49 I HN -0.005 nan 8.210 nan 0.000 0.594 50 Q N 5.256 125.050 119.800 -0.011 0.000 2.230 50 Q HA 0.515 4.855 4.340 -0.000 0.000 0.253 50 Q C -0.276 175.725 176.000 0.001 0.000 0.919 50 Q CA -0.916 54.885 55.803 -0.004 0.000 0.908 50 Q CB 1.570 30.309 28.738 0.002 0.000 1.245 50 Q HN 0.767 nan 8.270 nan 0.000 0.437 51 A N 2.435 125.256 122.820 0.002 0.000 2.524 51 A HA 0.051 4.370 4.320 -0.000 0.000 0.250 51 A C 0.035 177.628 177.584 0.016 0.000 1.078 51 A CA 0.282 52.323 52.037 0.007 0.000 0.761 51 A CB -0.272 18.733 19.000 0.008 0.000 1.012 51 A HN 0.976 nan 8.150 nan 0.000 0.500 52 E N -0.491 119.722 120.200 0.023 0.000 2.957 52 E HA -0.183 4.167 4.350 -0.000 0.000 0.287 52 E C -0.013 176.623 176.600 0.059 0.000 0.976 52 E CA 1.186 57.611 56.400 0.042 0.000 0.907 52 E CB -1.411 28.312 29.700 0.037 0.000 1.456 52 E HN 0.914 nan 8.360 nan 0.000 0.421 53 E N 0.910 121.139 120.200 0.048 0.000 2.266 53 E HA 0.353 4.703 4.350 -0.000 0.000 0.277 53 E C -0.362 176.291 176.600 0.088 0.000 1.018 53 E CA -0.732 55.701 56.400 0.055 0.000 0.840 53 E CB 0.820 30.536 29.700 0.028 0.000 1.082 53 E HN 0.160 nan 8.360 nan 0.000 0.395 54 L N 5.637 126.932 121.223 0.119 0.000 2.453 54 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 54 L C -0.702 176.234 176.870 0.111 0.000 1.182 54 L CA 0.104 55.049 54.840 0.175 0.000 0.858 54 L CB 0.972 43.132 42.059 0.168 0.000 1.120 54 L HN 0.417 nan 8.230 nan 0.000 0.474 55 V N 1.628 121.615 119.914 0.123 0.000 3.074 55 V HA 0.702 4.822 4.120 -0.000 0.000 0.314 55 V C -0.774 175.369 176.094 0.081 0.000 1.117 55 V CA -0.816 61.508 62.300 0.040 0.000 1.014 55 V CB 1.874 33.665 31.823 -0.053 0.000 1.057 55 V HN 0.856 nan 8.190 nan 0.000 0.438 56 E N 1.124 121.317 120.200 -0.011 0.000 2.218 56 E HA 0.558 4.908 4.350 -0.000 0.000 0.263 56 E C -1.812 174.775 176.600 -0.022 0.000 0.879 56 E CA -0.603 55.837 56.400 0.066 0.000 0.762 56 E CB 1.665 31.398 29.700 0.056 0.000 1.166 56 E HN 0.648 nan 8.360 nan 0.000 0.415 57 F N 1.872 121.845 119.950 0.038 0.000 2.396 57 F HA 0.067 4.594 4.527 -0.000 0.000 0.343 57 F C 1.861 177.679 175.800 0.029 0.000 1.104 57 F CA -0.093 57.924 58.000 0.030 0.000 1.161 57 F CB 1.534 40.550 39.000 0.027 0.000 1.146 57 F HN 0.526 nan 8.300 nan 0.000 0.522 58 S N -0.290 115.504 115.700 0.156 0.000 2.500 58 S HA -0.175 4.295 4.470 -0.000 0.000 0.239 58 S C 1.775 176.442 174.600 0.111 0.000 0.989 58 S CA 1.077 59.338 58.200 0.101 0.000 0.951 58 S CB -0.755 62.483 63.200 0.064 0.000 0.759 58 S HN 0.675 nan 8.310 nan 0.000 0.523 59 S N -0.039 115.751 115.700 0.151 0.000 2.527 59 S HA 0.472 4.942 4.470 -0.000 0.000 0.222 59 S C 1.629 176.282 174.600 0.089 0.000 0.985 59 S CA 0.603 58.864 58.200 0.101 0.000 0.921 59 S CB -0.342 62.907 63.200 0.083 0.000 0.772 59 S HN 1.251 nan 8.310 nan 0.000 0.529 60 G N 0.251 109.123 108.800 0.121 0.000 2.612 60 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.200 60 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.200 60 G C 0.076 175.052 174.900 0.126 0.000 1.053 60 G CA -0.221 44.940 45.100 0.102 0.000 0.707 60 G HN 0.768 nan 8.290 nan 0.000 0.497 61 V N 3.073 123.055 119.914 0.113 0.000 2.673 61 V HA 0.446 4.566 4.120 -0.000 0.000 0.303 61 V C 0.649 176.877 176.094 0.223 0.000 1.046 61 V CA 0.377 62.736 62.300 0.098 0.000 1.126 61 V CB 1.026 32.830 31.823 -0.032 0.000 0.934 61 V HN 0.377 nan 8.190 nan 0.000 0.487 62 K N 4.063 124.612 120.400 0.250 0.000 2.106 62 K HA 0.745 5.065 4.320 -0.000 0.000 0.246 62 K C 0.072 176.902 176.600 0.385 0.000 0.987 62 K CA -0.050 56.448 56.287 0.352 0.000 0.904 62 K CB 1.761 34.458 32.500 0.329 0.000 1.071 62 K HN 0.895 nan 8.250 nan 0.000 0.453 63 G N 0.316 109.335 108.800 0.366 0.000 2.727 63 G HA2 0.607 4.567 3.960 -0.000 0.000 0.289 63 G HA3 0.607 4.567 3.960 -0.000 0.000 0.289 63 G C -1.800 173.107 174.900 0.012 0.000 1.418 63 G CA -0.684 44.458 45.100 0.070 0.000 0.818 63 G HN 0.480 nan 8.290 nan 0.000 0.486 64 M N 0.885 120.361 119.600 -0.206 0.000 2.213 64 M HA 0.643 5.123 4.480 -0.000 0.000 0.286 64 M C -0.564 175.706 176.300 -0.050 0.000 1.008 64 M CA -0.782 54.476 55.300 -0.069 0.000 0.937 64 M CB 1.882 34.416 32.600 -0.110 0.000 1.600 64 M HN 0.767 nan 8.290 nan 0.000 0.450 65 A N 5.680 128.500 122.820 0.001 0.000 2.350 65 A HA 0.485 4.805 4.320 -0.000 0.000 0.293 65 A C 0.054 177.634 177.584 -0.008 0.000 1.231 65 A CA -0.379 51.654 52.037 -0.007 0.000 0.883 65 A CB -0.123 18.874 19.000 -0.005 0.000 1.133 65 A HN 1.067 nan 8.150 nan 0.000 0.533 66 L N 1.626 122.837 121.223 -0.020 0.000 2.609 66 L HA 0.201 4.541 4.340 -0.000 0.000 0.230 66 L C 0.088 176.953 176.870 -0.008 0.000 1.064 66 L CA 0.048 54.879 54.840 -0.015 0.000 0.873 66 L CB 0.077 42.114 42.059 -0.037 0.000 1.139 66 L HN 0.521 nan 8.230 nan 0.000 0.490 67 N N 1.457 120.149 118.700 -0.012 0.000 2.511 67 N HA 0.385 5.125 4.740 -0.000 0.000 0.249 67 N C -0.947 174.557 175.510 -0.010 0.000 0.971 67 N CA -0.052 52.993 53.050 -0.009 0.000 0.938 67 N CB 1.560 40.041 38.487 -0.010 0.000 1.131 67 N HN 0.034 nan 8.380 nan 0.000 0.505 68 L N 2.225 123.442 121.223 -0.010 0.000 2.259 68 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 68 L C 0.443 177.304 176.870 -0.015 0.000 1.051 68 L CA -0.260 54.570 54.840 -0.016 0.000 0.824 68 L CB 0.541 42.590 42.059 -0.017 0.000 1.206 68 L HN 0.269 nan 8.230 nan 0.000 0.429 69 E N 3.598 123.788 120.200 -0.017 0.000 2.244 69 E HA 0.316 4.666 4.350 -0.000 0.000 0.266 69 E C -1.703 174.885 176.600 -0.020 0.000 0.914 69 E CA -1.741 54.652 56.400 -0.011 0.000 0.794 69 E CB 2.008 31.707 29.700 -0.002 0.000 1.210 69 E HN 0.254 nan 8.360 nan 0.000 0.414 70 P HA -0.233 nan 4.420 nan 0.000 0.214 70 P C 1.127 178.410 177.300 -0.028 0.000 1.172 70 P CA 1.667 64.757 63.100 -0.018 0.000 0.925 70 P CB 0.091 31.789 31.700 -0.004 0.000 0.793 71 G N -1.619 107.181 108.800 0.000 0.000 2.464 71 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 71 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 71 G C 0.550 175.442 174.900 -0.014 0.000 1.138 71 G CA 0.373 45.487 45.100 0.022 0.000 0.793 71 G HN 0.493 nan 8.290 nan 0.000 0.539 72 Q N -1.583 118.210 119.800 -0.011 0.000 2.626 72 Q HA 0.654 4.994 4.340 -0.000 0.000 0.300 72 Q C -2.034 173.954 176.000 -0.020 0.000 0.988 72 Q CA -0.965 54.837 55.803 -0.001 0.000 0.761 72 Q CB 2.146 30.921 28.738 0.061 0.000 1.494 72 Q HN -0.084 nan 8.270 nan 0.000 0.439 73 V N 0.405 120.312 119.914 -0.011 0.000 2.487 73 V HA 0.657 4.777 4.120 -0.000 0.000 0.298 73 V C -0.015 176.084 176.094 0.008 0.000 1.028 73 V CA -0.391 61.900 62.300 -0.014 0.000 0.860 73 V CB 1.640 33.443 31.823 -0.032 0.000 0.991 73 V HN 0.853 nan 8.190 nan 0.000 0.427 74 G N 5.210 114.012 108.800 0.003 0.000 2.350 74 G HA2 0.662 4.622 3.960 -0.000 0.000 0.306 74 G HA3 0.662 4.622 3.960 -0.000 0.000 0.306 74 G C -0.658 174.242 174.900 -0.000 0.000 1.094 74 G CA -0.247 44.856 45.100 0.005 0.000 0.953 74 G HN 0.604 nan 8.290 nan 0.000 0.420 75 I N 2.670 123.252 120.570 0.021 0.000 2.433 75 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 75 I C 0.221 176.321 176.117 -0.027 0.000 1.001 75 I CA -1.189 60.123 61.300 0.020 0.000 1.119 75 I CB 2.243 40.313 38.000 0.116 0.000 1.289 75 I HN 0.346 nan 8.210 nan 0.000 0.438 76 V N 5.428 125.273 119.914 -0.115 0.000 2.539 76 V HA 0.564 4.684 4.120 -0.000 0.000 0.292 76 V C -0.332 175.580 176.094 -0.302 0.000 1.045 76 V CA -0.671 61.517 62.300 -0.187 0.000 0.945 76 V CB 1.482 33.180 31.823 -0.208 0.000 0.993 76 V HN 0.514 nan 8.190 nan 0.000 0.464 77 L N 4.183 125.252 121.223 -0.256 0.000 2.289 77 L HA 0.478 4.818 4.340 -0.000 0.000 0.285 77 L C -0.325 176.423 176.870 -0.205 0.000 1.049 77 L CA -0.370 54.316 54.840 -0.257 0.000 0.804 77 L CB 1.327 43.254 42.059 -0.220 0.000 1.195 77 L HN 0.615 nan 8.230 nan 0.000 0.428 78 F N 2.124 122.089 119.950 0.024 0.000 2.913 78 F HA 0.470 4.997 4.527 -0.000 0.000 0.306 78 F C 1.081 176.893 175.800 0.020 0.000 1.205 78 F CA -0.442 57.582 58.000 0.041 0.000 1.359 78 F CB -0.144 38.894 39.000 0.062 0.000 1.260 78 F HN 0.580 nan 8.300 nan 0.000 0.545 79 G N -1.151 107.725 108.800 0.128 0.000 2.327 79 G HA2 0.225 4.185 3.960 -0.000 0.000 0.291 79 G HA3 0.225 4.185 3.960 -0.000 0.000 0.291 79 G C -1.139 173.764 174.900 0.005 0.000 1.290 79 G CA -0.880 44.262 45.100 0.071 0.000 0.857 79 G HN 0.053 nan 8.290 nan 0.000 0.520 80 S N -0.693 115.004 115.700 -0.005 0.000 2.596 80 S HA 0.392 4.862 4.470 -0.000 0.000 0.260 80 S C 0.752 175.309 174.600 -0.072 0.000 1.336 80 S CA 0.791 58.974 58.200 -0.028 0.000 0.993 80 S CB 0.640 63.831 63.200 -0.015 0.000 0.923 80 S HN 0.843 nan 8.310 nan 0.000 0.567 81 D N 1.153 121.507 120.400 -0.076 0.000 2.535 81 D HA 0.139 4.779 4.640 -0.000 0.000 0.229 81 D C 1.069 177.324 176.300 -0.075 0.000 1.238 81 D CA -0.235 53.698 54.000 -0.110 0.000 0.824 81 D CB -0.097 40.634 40.800 -0.115 0.000 1.045 81 D HN 0.439 nan 8.370 nan 0.000 0.500 82 R N 0.313 120.784 120.500 -0.049 0.000 2.073 82 R HA 0.060 4.400 4.340 -0.000 0.000 0.234 82 R C 2.037 178.320 176.300 -0.029 0.000 1.134 82 R CA 1.123 57.205 56.100 -0.030 0.000 0.952 82 R CB -0.192 30.098 30.300 -0.017 0.000 0.850 82 R HN 0.179 nan 8.270 nan 0.000 0.433 83 L N 0.820 122.024 121.223 -0.033 0.000 2.558 83 L HA 0.103 4.443 4.340 -0.000 0.000 0.225 83 L C 0.198 177.057 176.870 -0.017 0.000 1.128 83 L CA -0.219 54.611 54.840 -0.016 0.000 0.868 83 L CB 0.227 42.283 42.059 -0.005 0.000 1.006 83 L HN -0.062 nan 8.230 nan 0.000 0.454 84 V N 0.707 120.586 119.914 -0.057 0.000 2.649 84 V HA 0.208 4.328 4.120 -0.000 0.000 0.292 84 V C 0.178 176.269 176.094 -0.004 0.000 1.055 84 V CA -0.235 62.038 62.300 -0.045 0.000 1.023 84 V CB 1.327 33.039 31.823 -0.185 0.000 0.992 84 V HN 0.200 nan 8.190 nan 0.000 0.480 85 K N 1.873 122.297 120.400 0.040 0.000 2.512 85 K HA 0.384 4.704 4.320 -0.000 0.000 0.263 85 K C -0.668 175.965 176.600 0.056 0.000 0.966 85 K CA -0.900 55.409 56.287 0.036 0.000 0.851 85 K CB 2.561 35.079 32.500 0.030 0.000 1.395 85 K HN 0.761 nan 8.250 nan 0.000 0.440 86 E N 0.200 120.424 120.200 0.039 0.000 2.452 86 E HA 0.022 4.372 4.350 -0.000 0.000 0.261 86 E C 0.533 177.158 176.600 0.040 0.000 0.987 86 E CA 1.440 57.864 56.400 0.040 0.000 0.926 86 E CB 0.240 29.953 29.700 0.021 0.000 0.934 86 E HN 0.771 nan 8.360 nan 0.000 0.452 87 G N 3.774 112.602 108.800 0.046 0.000 2.217 87 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 87 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 87 G C 0.220 175.152 174.900 0.052 0.000 0.990 87 G CA 0.329 45.452 45.100 0.037 0.000 0.627 87 G HN 0.660 nan 8.290 nan 0.000 0.522 88 E N 0.616 120.863 120.200 0.079 0.000 2.415 88 E HA 0.349 4.699 4.350 -0.000 0.000 0.263 88 E C 0.689 177.332 176.600 0.072 0.000 0.995 88 E CA -0.653 55.805 56.400 0.098 0.000 0.915 88 E CB 0.268 30.068 29.700 0.167 0.000 0.951 88 E HN 0.439 nan 8.360 nan 0.000 0.449 89 L N 5.406 126.654 121.223 0.041 0.000 2.499 89 L HA 0.105 4.445 4.340 -0.000 0.000 0.273 89 L C -1.150 175.667 176.870 -0.087 0.000 1.195 89 L CA 0.215 55.050 54.840 -0.009 0.000 0.882 89 L CB 0.811 42.870 42.059 -0.000 0.000 1.133 89 L HN 0.337 nan 8.230 nan 0.000 0.483 90 V N 4.812 124.615 119.914 -0.185 0.000 2.444 90 V HA 0.490 4.610 4.120 -0.000 0.000 0.294 90 V C -0.111 175.838 176.094 -0.242 0.000 1.022 90 V CA -0.978 61.084 62.300 -0.397 0.000 0.850 90 V CB 1.326 32.743 31.823 -0.678 0.000 0.992 90 V HN 0.681 nan 8.190 nan 0.000 0.426 91 K N 3.060 123.342 120.400 -0.197 0.000 2.123 91 K HA 0.612 4.932 4.320 -0.000 0.000 0.259 91 K C -0.085 176.458 176.600 -0.094 0.000 0.960 91 K CA -0.840 55.383 56.287 -0.107 0.000 0.872 91 K CB 2.001 34.467 32.500 -0.057 0.000 1.079 91 K HN 0.575 nan 8.250 nan 0.000 0.440 92 R N 0.164 120.626 120.500 -0.063 0.000 2.679 92 R HA 0.093 4.433 4.340 -0.000 0.000 0.269 92 R C 0.585 176.875 176.300 -0.016 0.000 1.076 92 R CA 0.157 56.234 56.100 -0.039 0.000 1.160 92 R CB 0.720 30.999 30.300 -0.034 0.000 1.054 92 R HN 0.666 nan 8.270 nan 0.000 0.507 93 T N -0.698 113.856 114.554 -0.000 0.000 3.038 93 T HA 0.151 4.501 4.350 -0.000 0.000 0.244 93 T C 1.134 175.839 174.700 0.008 0.000 1.016 93 T CA 0.515 62.623 62.100 0.012 0.000 1.098 93 T CB 0.513 69.400 68.868 0.031 0.000 0.954 93 T HN 0.886 nan 8.240 nan 0.000 0.469 94 G N 1.934 110.738 108.800 0.006 0.000 2.195 94 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 94 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 94 G C -0.101 174.805 174.900 0.011 0.000 0.984 94 G CA -0.168 44.935 45.100 0.005 0.000 0.633 94 G HN 0.559 nan 8.290 nan 0.000 0.525 95 N N 0.715 119.426 118.700 0.019 0.000 2.372 95 N HA 0.594 5.334 4.740 -0.000 0.000 0.291 95 N C 0.167 175.698 175.510 0.035 0.000 1.024 95 N CA -1.082 51.983 53.050 0.024 0.000 0.873 95 N CB 1.393 39.895 38.487 0.025 0.000 1.206 95 N HN 0.048 nan 8.380 nan 0.000 0.486 96 I N 1.874 122.462 120.570 0.031 0.000 2.692 96 I HA -0.003 4.167 4.170 -0.000 0.000 0.284 96 I C 0.627 176.772 176.117 0.047 0.000 1.159 96 I CA -0.259 61.065 61.300 0.039 0.000 1.423 96 I CB 0.163 38.178 38.000 0.024 0.000 1.380 96 I HN 0.286 nan 8.210 nan 0.000 0.580 97 V N 6.541 126.498 119.914 0.073 0.000 2.506 97 V HA -0.074 4.046 4.120 -0.000 0.000 0.296 97 V C 0.318 176.431 176.094 0.031 0.000 1.004 97 V CA 0.215 62.559 62.300 0.073 0.000 1.150 97 V CB -0.590 31.315 31.823 0.137 0.000 0.911 97 V HN 0.901 nan 8.190 nan 0.000 0.476 98 D N 4.344 124.750 120.400 0.009 0.000 2.533 98 D HA 0.735 5.375 4.640 -0.000 0.000 0.247 98 D C -0.599 175.693 176.300 -0.014 0.000 1.056 98 D CA -0.727 53.275 54.000 0.003 0.000 1.054 98 D CB 2.175 42.978 40.800 0.006 0.000 1.400 98 D HN 0.426 nan 8.370 nan 0.000 0.533 99 V N -4.329 115.580 119.914 -0.008 0.000 2.925 99 V HA 0.670 4.790 4.120 -0.000 0.000 0.311 99 V C -2.816 173.265 176.094 -0.021 0.000 1.104 99 V CA -2.237 60.053 62.300 -0.018 0.000 0.954 99 V CB 1.784 33.603 31.823 -0.007 0.000 1.022 99 V HN 0.568 nan 8.190 nan 0.000 0.427 100 P HA 0.289 nan 4.420 nan 0.000 0.268 100 P C -0.384 176.871 177.300 -0.076 0.000 1.204 100 P CA 0.252 63.319 63.100 -0.056 0.000 0.768 100 P CB 1.392 33.055 31.700 -0.061 0.000 0.842 101 V N -0.194 119.651 119.914 -0.115 0.000 3.126 101 V HA 1.031 5.151 4.120 -0.000 0.000 0.314 101 V C -0.032 175.792 176.094 -0.450 0.000 1.138 101 V CA -0.378 61.806 62.300 -0.194 0.000 1.034 101 V CB 1.473 33.255 31.823 -0.069 0.000 1.075 101 V HN 0.972 nan 8.190 nan 0.000 0.442 102 G N 1.281 109.579 108.800 -0.837 0.000 2.351 102 G HA2 0.238 4.198 3.960 -0.000 0.000 0.353 102 G HA3 0.238 4.198 3.960 -0.000 0.000 0.353 102 G C -2.633 171.534 174.900 -1.222 0.000 1.358 102 G CA 0.019 44.219 45.100 -1.500 0.000 0.995 102 G HN 0.700 nan 8.290 nan 0.000 0.611 103 P HA 0.025 nan 4.420 nan 0.000 0.223 103 P C 1.773 178.907 177.300 -0.278 0.000 1.151 103 P CA 1.568 64.287 63.100 -0.635 0.000 0.787 103 P CB -0.096 31.318 31.700 -0.476 0.000 0.788 104 G N -0.189 108.426 108.800 -0.308 0.000 2.708 104 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.210 104 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.210 104 G C 1.165 176.002 174.900 -0.105 0.000 1.141 104 G CA 0.112 45.115 45.100 -0.163 0.000 0.788 104 G HN 0.218 nan 8.290 nan 0.000 0.531 105 L N -0.068 121.092 121.223 -0.104 0.000 2.567 105 L HA 0.361 4.701 4.340 -0.000 0.000 0.225 105 L C 1.105 177.999 176.870 0.040 0.000 1.119 105 L CA 0.040 54.863 54.840 -0.029 0.000 0.871 105 L CB 0.085 42.130 42.059 -0.024 0.000 1.036 105 L HN 0.075 nan 8.230 nan 0.000 0.459 106 L N 0.225 121.491 121.223 0.071 0.000 2.462 106 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 106 L C 1.354 178.264 176.870 0.066 0.000 1.166 106 L CA 0.597 55.510 54.840 0.121 0.000 0.880 106 L CB 0.034 42.209 42.059 0.194 0.000 1.142 106 L HN 0.381 nan 8.230 nan 0.000 0.473 107 G N 2.031 110.859 108.800 0.047 0.000 2.141 107 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 107 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 107 G C 0.148 175.051 174.900 0.005 0.000 0.982 107 G CA -0.508 44.597 45.100 0.009 0.000 0.662 107 G HN 0.459 nan 8.290 nan 0.000 0.527 108 R N -0.555 119.955 120.500 0.017 0.000 2.732 108 R HA 0.746 5.086 4.340 -0.000 0.000 0.278 108 R C -0.432 175.880 176.300 0.019 0.000 0.976 108 R CA -0.816 55.291 56.100 0.012 0.000 0.963 108 R CB 1.912 32.216 30.300 0.007 0.000 1.150 108 R HN 0.222 nan 8.270 nan 0.000 0.478 109 V N 2.366 122.289 119.914 0.016 0.000 2.409 109 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 109 V C -0.009 176.096 176.094 0.020 0.000 1.020 109 V CA -0.771 61.544 62.300 0.025 0.000 0.848 109 V CB 1.706 33.544 31.823 0.025 0.000 0.990 109 V HN 0.604 nan 8.190 nan 0.000 0.430 110 V N 1.047 120.974 119.914 0.023 0.000 3.001 110 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 110 V C -0.420 175.683 176.094 0.015 0.000 1.099 110 V CA -0.996 61.312 62.300 0.013 0.000 0.989 110 V CB 2.042 33.868 31.823 0.005 0.000 1.040 110 V HN 0.818 nan 8.190 nan 0.000 0.434 111 D N 2.166 122.570 120.400 0.006 0.000 2.384 111 D HA 0.431 5.071 4.640 -0.000 0.000 0.244 111 D C 1.284 177.580 176.300 -0.007 0.000 1.251 111 D CA 0.189 54.192 54.000 0.005 0.000 0.961 111 D CB 1.128 41.929 40.800 0.002 0.000 1.116 111 D HN 0.850 nan 8.370 nan 0.000 0.484 112 A N -0.018 122.799 122.820 -0.007 0.000 1.978 112 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 112 A C 2.173 179.721 177.584 -0.059 0.000 1.170 112 A CA 1.129 53.158 52.037 -0.014 0.000 0.636 112 A CB -0.857 18.151 19.000 0.014 0.000 0.810 112 A HN 0.580 nan 8.150 nan 0.000 0.448 113 L N -1.158 120.000 121.223 -0.108 0.000 2.612 113 L HA 0.227 4.567 4.340 -0.000 0.000 0.230 113 L C 1.450 178.272 176.870 -0.081 0.000 1.140 113 L CA 0.438 55.191 54.840 -0.146 0.000 0.896 113 L CB -0.162 41.755 42.059 -0.236 0.000 1.065 113 L HN 0.567 nan 8.230 nan 0.000 0.447 114 G N 0.111 108.882 108.800 -0.048 0.000 2.149 114 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 114 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 114 G C -0.127 174.755 174.900 -0.030 0.000 1.018 114 G CA -0.369 44.712 45.100 -0.033 0.000 0.728 114 G HN 0.359 nan 8.290 nan 0.000 0.508 115 N N 1.585 120.268 118.700 -0.027 0.000 2.455 115 N HA 0.429 5.169 4.740 -0.000 0.000 0.280 115 N C -2.424 173.081 175.510 -0.009 0.000 1.055 115 N CA -1.267 51.772 53.050 -0.018 0.000 0.961 115 N CB 1.798 40.276 38.487 -0.016 0.000 1.121 115 N HN 0.160 nan 8.380 nan 0.000 0.476 116 P HA 0.118 nan 4.420 nan 0.000 0.271 116 P C 0.451 177.752 177.300 0.002 0.000 1.216 116 P CA -0.006 63.092 63.100 -0.003 0.000 0.771 116 P CB 0.547 32.243 31.700 -0.006 0.000 0.864 117 I N -0.593 119.981 120.570 0.006 0.000 4.240 117 I HA 0.193 4.363 4.170 -0.000 0.000 0.331 117 I C 0.679 176.802 176.117 0.010 0.000 1.381 117 I CA -0.149 61.157 61.300 0.010 0.000 1.136 117 I CB -0.022 37.987 38.000 0.015 0.000 1.137 117 I HN 0.050 nan 8.210 nan 0.000 0.411 118 D N 1.595 121.999 120.400 0.007 0.000 2.340 118 D HA 0.092 4.732 4.640 -0.000 0.000 0.220 118 D C 1.676 177.977 176.300 0.002 0.000 1.039 118 D CA 0.515 54.518 54.000 0.005 0.000 0.866 118 D CB -0.235 40.567 40.800 0.003 0.000 0.913 118 D HN 0.404 nan 8.370 nan 0.000 0.523 119 G N 1.020 109.821 108.800 0.002 0.000 2.283 119 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.280 119 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.280 119 G C 0.612 175.511 174.900 -0.001 0.000 1.029 119 G CA 0.531 45.631 45.100 0.001 0.000 0.840 119 G HN 0.481 nan 8.290 nan 0.000 0.505 120 K N 0.019 120.418 120.400 -0.002 0.000 2.437 120 K HA 0.452 4.772 4.320 -0.000 0.000 0.205 120 K C 1.513 178.110 176.600 -0.005 0.000 1.026 120 K CA 0.260 56.544 56.287 -0.004 0.000 1.153 120 K CB 0.344 32.842 32.500 -0.005 0.000 0.863 120 K HN 1.336 nan 8.250 nan 0.000 0.502 121 G N 2.236 111.033 108.800 -0.005 0.000 2.725 121 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 121 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 121 G C -2.588 172.306 174.900 -0.010 0.000 1.357 121 G CA -1.269 43.828 45.100 -0.006 0.000 0.866 121 G HN 0.030 nan 8.290 nan 0.000 0.548 122 P HA 0.284 nan 4.420 nan 0.000 0.266 122 P C 0.224 177.511 177.300 -0.023 0.000 1.186 122 P CA -0.084 63.007 63.100 -0.016 0.000 0.767 122 P CB 0.312 32.002 31.700 -0.016 0.000 0.820 123 I N 3.033 123.585 120.570 -0.029 0.000 2.331 123 I HA 0.134 4.304 4.170 -0.000 0.000 0.292 123 I C 0.096 176.181 176.117 -0.053 0.000 0.998 123 I CA -0.336 60.939 61.300 -0.041 0.000 1.267 123 I CB 0.834 38.809 38.000 -0.043 0.000 1.386 123 I HN 0.226 nan 8.210 nan 0.000 0.476 124 D N 5.896 126.257 120.400 -0.065 0.000 2.347 124 D HA 0.420 5.060 4.640 -0.000 0.000 0.235 124 D C 0.358 176.589 176.300 -0.115 0.000 1.149 124 D CA -0.032 53.922 54.000 -0.076 0.000 0.850 124 D CB 1.308 42.066 40.800 -0.069 0.000 1.061 124 D HN 0.572 nan 8.370 nan 0.000 0.487 125 A N 1.731 124.486 122.820 -0.108 0.000 2.322 125 A HA 0.564 4.884 4.320 -0.000 0.000 0.269 125 A C 1.167 178.657 177.584 -0.156 0.000 1.094 125 A CA -0.188 51.763 52.037 -0.143 0.000 0.807 125 A CB 0.862 19.802 19.000 -0.100 0.000 1.047 125 A HN 0.566 nan 8.150 nan 0.000 0.487 126 A N 1.001 123.684 122.820 -0.228 0.000 2.081 126 A HA 0.525 4.845 4.320 -0.000 0.000 0.214 126 A C 1.142 178.690 177.584 -0.060 0.000 1.158 126 A CA 1.481 53.418 52.037 -0.167 0.000 0.724 126 A CB -0.372 18.457 19.000 -0.285 0.000 0.826 126 A HN 2.241 nan 8.150 nan 0.000 0.463 127 G N -1.445 107.315 108.800 -0.067 0.000 2.325 127 G HA2 0.481 4.441 3.960 -0.000 0.000 0.295 127 G HA3 0.481 4.441 3.960 -0.000 0.000 0.295 127 G C -1.310 173.577 174.900 -0.022 0.000 1.274 127 G CA -0.953 44.139 45.100 -0.015 0.000 0.857 127 G HN 0.266 nan 8.290 nan 0.000 0.499 128 R N -0.927 119.574 120.500 0.002 0.000 2.892 128 R HA 0.844 5.184 4.340 -0.000 0.000 0.265 128 R C -1.098 175.214 176.300 0.020 0.000 1.025 128 R CA -0.769 55.332 56.100 0.001 0.000 0.982 128 R CB 2.226 32.523 30.300 -0.004 0.000 1.185 128 R HN 0.474 nan 8.270 nan 0.000 0.484 129 S N 0.360 116.072 115.700 0.019 0.000 2.536 129 S HA 0.380 4.850 4.470 -0.000 0.000 0.271 129 S C -0.842 173.771 174.600 0.022 0.000 1.134 129 S CA -0.872 57.346 58.200 0.029 0.000 0.897 129 S CB 2.031 65.258 63.200 0.046 0.000 1.094 129 S HN 0.391 nan 8.310 nan 0.000 0.473 130 R N 0.928 121.439 120.500 0.020 0.000 2.679 130 R HA 0.275 4.615 4.340 -0.000 0.000 0.268 130 R C 1.462 177.773 176.300 0.019 0.000 1.044 130 R CA 0.194 56.303 56.100 0.015 0.000 1.105 130 R CB 0.224 30.529 30.300 0.007 0.000 0.989 130 R HN 0.800 nan 8.270 nan 0.000 0.447 131 A N 2.762 125.592 122.820 0.017 0.000 1.883 131 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 131 A C 0.872 178.453 177.584 -0.005 0.000 1.186 131 A CA 1.313 53.368 52.037 0.031 0.000 0.624 131 A CB -0.087 18.932 19.000 0.032 0.000 0.822 131 A HN 0.619 nan 8.150 nan 0.000 0.444 132 Q N -0.674 119.075 119.800 -0.085 0.000 2.303 132 Q HA 0.581 4.921 4.340 -0.000 0.000 0.257 132 Q C -1.342 174.621 176.000 -0.063 0.000 0.941 132 Q CA 0.121 55.828 55.803 -0.160 0.000 0.931 132 Q CB 1.490 30.092 28.738 -0.226 0.000 1.215 132 Q HN 0.171 nan 8.270 nan 0.000 0.437 133 V N 3.669 123.563 119.914 -0.034 0.000 2.888 133 V HA 0.367 4.487 4.120 -0.000 0.000 0.309 133 V C -0.693 175.404 176.094 0.005 0.000 1.114 133 V CA -1.051 61.249 62.300 -0.001 0.000 0.940 133 V CB 2.449 34.286 31.823 0.024 0.000 1.021 133 V HN 0.671 nan 8.190 nan 0.000 0.426 134 K N 2.423 122.830 120.400 0.011 0.000 2.350 134 K HA 0.606 4.926 4.320 -0.000 0.000 0.279 134 K C 0.376 176.990 176.600 0.025 0.000 1.027 134 K CA 0.135 56.434 56.287 0.021 0.000 0.969 134 K CB 1.065 33.581 32.500 0.026 0.000 0.954 134 K HN 0.905 nan 8.250 nan 0.000 0.474 135 A N 4.875 127.713 122.820 0.029 0.000 2.406 135 A HA 0.239 4.559 4.320 -0.000 0.000 0.243 135 A C -2.131 175.470 177.584 0.027 0.000 1.082 135 A CA -1.061 50.994 52.037 0.030 0.000 0.786 135 A CB -0.415 18.604 19.000 0.031 0.000 1.029 135 A HN 0.517 nan 8.150 nan 0.000 0.495 136 P HA 0.281 nan 4.420 nan 0.000 0.268 136 P C 0.589 177.903 177.300 0.024 0.000 1.204 136 P CA 0.420 63.533 63.100 0.021 0.000 0.768 136 P CB 0.630 32.342 31.700 0.019 0.000 0.842 137 G N 1.515 110.327 108.800 0.021 0.000 2.570 137 G HA2 0.088 4.048 3.960 -0.000 0.000 0.276 137 G HA3 0.088 4.048 3.960 -0.000 0.000 0.276 137 G C 1.012 175.925 174.900 0.022 0.000 1.346 137 G CA -0.479 44.634 45.100 0.022 0.000 1.034 137 G HN 0.356 nan 8.290 nan 0.000 0.512 138 I N -0.821 119.762 120.570 0.021 0.000 2.163 138 I HA -0.125 4.045 4.170 -0.000 0.000 0.243 138 I C 2.600 178.727 176.117 0.017 0.000 1.085 138 I CA 0.835 62.147 61.300 0.020 0.000 1.347 138 I CB -0.318 37.694 38.000 0.019 0.000 1.044 138 I HN 0.349 nan 8.210 nan 0.000 0.408 139 L N 1.477 122.708 121.223 0.014 0.000 2.023 139 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 139 L C -0.905 175.971 176.870 0.010 0.000 1.073 139 L CA 1.702 56.548 54.840 0.010 0.000 0.745 139 L CB -1.536 40.527 42.059 0.008 0.000 0.900 139 L HN 0.158 nan 8.230 nan 0.000 0.435 140 P HA 0.063 nan 4.420 nan 0.000 0.246 140 P C -0.640 176.668 177.300 0.013 0.000 1.686 140 P CA 0.362 63.467 63.100 0.008 0.000 0.867 140 P CB -0.181 31.521 31.700 0.004 0.000 1.733 141 R N -0.250 120.261 120.500 0.018 0.000 2.888 141 R HA 0.668 5.008 4.340 -0.000 0.000 0.264 141 R C -0.169 176.150 176.300 0.031 0.000 1.045 141 R CA -0.896 55.220 56.100 0.027 0.000 0.962 141 R CB 2.507 32.825 30.300 0.028 0.000 1.210 141 R HN -0.031 nan 8.270 nan 0.000 0.479 142 R N 0.068 120.596 120.500 0.047 0.000 2.725 142 R HA 0.359 4.699 4.340 -0.000 0.000 0.277 142 R C -1.108 175.237 176.300 0.076 0.000 0.987 142 R CA -0.520 55.615 56.100 0.058 0.000 0.901 142 R CB 2.186 32.538 30.300 0.087 0.000 1.207 142 R HN 0.666 nan 8.270 nan 0.000 0.463 143 S N 1.956 117.697 115.700 0.068 0.000 2.516 143 S HA 0.048 4.518 4.470 -0.000 0.000 0.282 143 S C 0.216 174.896 174.600 0.133 0.000 1.286 143 S CA -0.533 57.710 58.200 0.072 0.000 1.066 143 S CB 0.870 64.097 63.200 0.045 0.000 0.884 143 S HN 0.372 nan 8.310 nan 0.000 0.491 144 V N 5.424 125.392 119.914 0.089 0.000 2.726 144 V HA -0.081 4.039 4.120 -0.000 0.000 0.304 144 V C 1.488 177.641 176.094 0.098 0.000 1.115 144 V CA 1.008 63.341 62.300 0.054 0.000 1.264 144 V CB -0.498 31.328 31.823 0.007 0.000 0.867 144 V HN 1.119 nan 8.190 nan 0.000 0.498 145 H N 1.739 120.787 119.070 -0.037 0.000 3.627 145 H HA 0.382 4.938 4.556 -0.000 0.000 0.262 145 H C -0.101 175.188 175.328 -0.065 0.000 1.166 145 H CA -0.441 55.582 56.048 -0.041 0.000 1.122 145 H CB 0.568 30.312 29.762 -0.030 0.000 1.787 145 H HN 0.652 nan 8.280 nan 0.000 0.783 146 E N 2.479 122.437 120.200 -0.402 0.000 2.248 146 E HA 0.413 4.763 4.350 -0.000 0.000 0.267 146 E C -2.986 173.453 176.600 -0.269 0.000 0.877 146 E CA -2.130 54.048 56.400 -0.370 0.000 0.759 146 E CB 2.768 32.153 29.700 -0.525 0.000 1.182 146 E HN 0.128 nan 8.360 nan 0.000 0.418 147 P HA 0.067 nan 4.420 nan 0.000 0.275 147 P C -0.821 176.323 177.300 -0.260 0.000 1.228 147 P CA -0.411 62.570 63.100 -0.199 0.000 0.786 147 P CB 0.691 32.292 31.700 -0.165 0.000 0.927 148 V N 4.162 123.960 119.914 -0.193 0.000 2.277 148 V HA 0.149 4.269 4.120 -0.000 0.000 0.269 148 V C 0.321 176.340 176.094 -0.125 0.000 1.036 148 V CA -0.202 61.985 62.300 -0.189 0.000 0.821 148 V CB 0.253 32.000 31.823 -0.126 0.000 1.052 148 V HN 0.488 nan 8.190 nan 0.000 0.462 149 Q N 2.321 122.033 119.800 -0.146 0.000 2.324 149 Q HA 0.103 4.443 4.340 -0.000 0.000 0.257 149 Q C 1.530 177.571 176.000 0.069 0.000 1.080 149 Q CA 0.212 56.014 55.803 -0.002 0.000 0.907 149 Q CB 0.974 29.776 28.738 0.107 0.000 1.274 149 Q HN 0.953 nan 8.270 nan 0.000 0.434 150 T N -0.869 113.710 114.554 0.041 0.000 2.904 150 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 150 T C 1.471 176.206 174.700 0.058 0.000 1.059 150 T CA 0.673 62.799 62.100 0.042 0.000 1.137 150 T CB -0.060 68.820 68.868 0.020 0.000 0.879 150 T HN 0.845 nan 8.240 nan 0.000 0.467 151 G N 1.128 109.968 108.800 0.067 0.000 2.179 151 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 151 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 151 G C -0.013 174.906 174.900 0.032 0.000 0.977 151 G CA 0.189 45.323 45.100 0.057 0.000 0.641 151 G HN 0.642 nan 8.290 nan 0.000 0.533 152 L N 0.704 121.942 121.223 0.025 0.000 2.261 152 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 152 L C 1.800 178.683 176.870 0.021 0.000 1.059 152 L CA -0.621 54.227 54.840 0.014 0.000 0.816 152 L CB 1.045 43.107 42.059 0.005 0.000 1.191 152 L HN 0.102 nan 8.230 nan 0.000 0.431 153 K N 2.506 122.920 120.400 0.023 0.000 2.059 153 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 153 K C 2.031 178.648 176.600 0.029 0.000 1.050 153 K CA 1.860 58.165 56.287 0.030 0.000 0.927 153 K CB -0.112 32.408 32.500 0.034 0.000 0.714 153 K HN 0.803 nan 8.250 nan 0.000 0.447 154 A N 0.775 123.609 122.820 0.024 0.000 1.933 154 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 154 A C 2.369 179.970 177.584 0.029 0.000 1.175 154 A CA 1.559 53.613 52.037 0.028 0.000 0.628 154 A CB -0.496 18.517 19.000 0.022 0.000 0.814 154 A HN 0.098 nan 8.150 nan 0.000 0.444 155 V N 0.207 120.135 119.914 0.023 0.000 2.379 155 V HA -0.145 3.975 4.120 -0.000 0.000 0.243 155 V C 2.111 178.218 176.094 0.021 0.000 1.035 155 V CA 2.004 64.317 62.300 0.022 0.000 1.035 155 V CB -0.740 31.093 31.823 0.016 0.000 0.673 155 V HN 0.463 nan 8.190 nan 0.000 0.457 156 D N 0.871 121.284 120.400 0.021 0.000 2.117 156 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 156 D C 2.158 178.472 176.300 0.023 0.000 0.987 156 D CA 1.704 55.716 54.000 0.019 0.000 0.829 156 D CB -0.349 40.466 40.800 0.025 0.000 0.961 156 D HN 0.428 nan 8.370 nan 0.000 0.460 157 A N -0.045 122.792 122.820 0.029 0.000 1.929 157 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 157 A C 2.200 179.804 177.584 0.034 0.000 1.176 157 A CA 0.930 52.986 52.037 0.031 0.000 0.628 157 A CB -0.318 18.702 19.000 0.034 0.000 0.816 157 A HN 0.231 nan 8.150 nan 0.000 0.444 158 L N -1.282 119.963 121.223 0.036 0.000 2.577 158 L HA 0.159 4.499 4.340 -0.000 0.000 0.225 158 L C 0.083 176.976 176.870 0.039 0.000 1.053 158 L CA 0.270 55.136 54.840 0.043 0.000 0.866 158 L CB 0.603 42.694 42.059 0.053 0.000 1.132 158 L HN 0.197 nan 8.230 nan 0.000 0.486 159 V N -2.779 117.155 119.914 0.033 0.000 2.464 159 V HA 0.427 4.547 4.120 -0.000 0.000 0.255 159 V C -2.791 173.314 176.094 0.018 0.000 0.946 159 V CA -1.787 60.531 62.300 0.029 0.000 0.988 159 V CB -0.080 31.765 31.823 0.036 0.000 1.210 159 V HN -0.090 nan 8.190 nan 0.000 0.523 160 P HA 0.286 nan 4.420 nan 0.000 0.266 160 P C -0.361 176.935 177.300 -0.007 0.000 1.193 160 P CA 0.588 63.688 63.100 0.001 0.000 0.770 160 P CB 0.716 32.415 31.700 -0.002 0.000 0.836 161 I N 1.617 122.175 120.570 -0.021 0.000 2.436 161 I HA 0.482 4.652 4.170 -0.000 0.000 0.289 161 I C 0.902 176.984 176.117 -0.058 0.000 1.010 161 I CA -0.271 61.011 61.300 -0.030 0.000 1.098 161 I CB 1.984 39.969 38.000 -0.025 0.000 1.266 161 I HN 0.345 nan 8.210 nan 0.000 0.434 162 G N 4.853 113.617 108.800 -0.060 0.000 2.601 162 G HA2 0.559 4.519 3.960 -0.000 0.000 0.317 162 G HA3 0.559 4.519 3.960 -0.000 0.000 0.317 162 G C -0.539 174.298 174.900 -0.105 0.000 1.246 162 G CA -0.875 44.168 45.100 -0.097 0.000 1.012 162 G HN 0.508 nan 8.290 nan 0.000 0.494 163 R N -0.194 120.215 120.500 -0.152 0.000 2.242 163 R HA 0.438 4.778 4.340 -0.000 0.000 0.334 163 R C 0.924 177.188 176.300 -0.059 0.000 1.071 163 R CA 0.829 56.849 56.100 -0.133 0.000 0.922 163 R CB 0.767 30.922 30.300 -0.242 0.000 1.023 163 R HN 1.044 nan 8.270 nan 0.000 0.458 164 G N 1.896 110.685 108.800 -0.018 0.000 2.201 164 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.212 164 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.212 164 G C 0.223 175.128 174.900 0.008 0.000 0.994 164 G CA -0.201 44.905 45.100 0.011 0.000 0.644 164 G HN 0.566 nan 8.290 nan 0.000 0.508 165 Q N 0.171 119.967 119.800 -0.006 0.000 2.443 165 Q HA 0.643 4.983 4.340 -0.000 0.000 0.232 165 Q C 0.117 176.121 176.000 0.007 0.000 1.026 165 Q CA -0.192 55.611 55.803 -0.001 0.000 0.924 165 Q CB 0.342 29.073 28.738 -0.011 0.000 1.256 165 Q HN 0.428 nan 8.270 nan 0.000 0.519 166 R N 2.047 122.554 120.500 0.012 0.000 2.468 166 R HA 0.248 4.588 4.340 -0.000 0.000 0.302 166 R C -1.538 174.770 176.300 0.013 0.000 1.041 166 R CA -0.555 55.555 56.100 0.017 0.000 0.899 166 R CB 1.508 31.822 30.300 0.022 0.000 1.167 166 R HN 0.427 nan 8.270 nan 0.000 0.483 167 E N 2.863 123.071 120.200 0.012 0.000 2.113 167 E HA 0.205 4.555 4.350 -0.000 0.000 0.273 167 E C -1.311 175.299 176.600 0.016 0.000 0.924 167 E CA -0.901 55.507 56.400 0.014 0.000 0.764 167 E CB 1.032 30.738 29.700 0.011 0.000 1.104 167 E HN 0.345 nan 8.360 nan 0.000 0.406 168 L N 5.709 126.941 121.223 0.016 0.000 2.367 168 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 168 L C -0.875 176.014 176.870 0.033 0.000 1.129 168 L CA 0.195 55.043 54.840 0.014 0.000 0.839 168 L CB 0.413 42.473 42.059 0.003 0.000 1.133 168 L HN 0.606 nan 8.230 nan 0.000 0.453 169 I N 6.941 127.529 120.570 0.030 0.000 2.315 169 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 169 I C -0.183 175.967 176.117 0.054 0.000 1.006 169 I CA -0.101 61.224 61.300 0.042 0.000 1.265 169 I CB 1.188 39.205 38.000 0.028 0.000 1.387 169 I HN 0.595 nan 8.210 nan 0.000 0.475 170 I N 4.938 125.570 120.570 0.102 0.000 2.769 170 I HA 0.893 5.063 4.170 -0.000 0.000 0.298 170 I C -0.356 175.876 176.117 0.193 0.000 1.128 170 I CA -0.070 61.321 61.300 0.151 0.000 1.031 170 I CB 2.203 40.308 38.000 0.175 0.000 1.235 170 I HN 0.713 nan 8.210 nan 0.000 0.423 171 G N 4.609 113.504 108.800 0.158 0.000 2.339 171 G HA2 0.119 4.079 3.960 -0.000 0.000 0.302 171 G HA3 0.119 4.079 3.960 -0.000 0.000 0.302 171 G C -1.928 172.992 174.900 0.034 0.000 1.425 171 G CA -0.882 44.253 45.100 0.058 0.000 0.899 171 G HN 0.528 nan 8.290 nan 0.000 0.619 172 D N 0.340 120.740 120.400 -0.000 0.000 2.354 172 D HA 0.323 4.963 4.640 -0.000 0.000 0.238 172 D C 1.422 177.699 176.300 -0.039 0.000 1.250 172 D CA 0.052 54.050 54.000 -0.003 0.000 0.911 172 D CB 0.398 41.190 40.800 -0.013 0.000 1.163 172 D HN 0.720 nan 8.370 nan 0.000 0.456 173 R N 0.606 121.091 120.500 -0.026 0.000 2.697 173 R HA -0.053 4.287 4.340 -0.000 0.000 0.265 173 R C -0.161 176.079 176.300 -0.100 0.000 1.009 173 R CA -0.111 55.965 56.100 -0.041 0.000 1.099 173 R CB 0.041 30.330 30.300 -0.017 0.000 0.965 173 R HN 0.218 nan 8.270 nan 0.000 0.428 174 Q N -0.036 119.695 119.800 -0.115 0.000 2.468 174 Q HA -0.154 4.186 4.340 -0.000 0.000 0.289 174 Q C 0.261 176.030 176.000 -0.386 0.000 1.299 174 Q CA 1.725 57.409 55.803 -0.199 0.000 0.838 174 Q CB -1.778 26.856 28.738 -0.172 0.000 1.195 174 Q HN 1.021 nan 8.270 nan 0.000 0.456 175 T N -5.618 108.758 114.554 -0.298 0.000 2.985 175 T HA 0.449 4.799 4.350 -0.000 0.000 0.254 175 T C 1.145 175.743 174.700 -0.170 0.000 1.021 175 T CA 0.821 62.710 62.100 -0.353 0.000 0.957 175 T CB 1.123 69.845 68.868 -0.243 0.000 1.047 175 T HN 0.861 nan 8.240 nan 0.000 0.511 176 G N 1.561 110.301 108.800 -0.101 0.000 2.145 176 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.145 176 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.145 176 G C 0.675 175.561 174.900 -0.023 0.000 1.017 176 G CA 0.134 45.229 45.100 -0.010 0.000 0.682 176 G HN 0.436 nan 8.290 nan 0.000 0.504 177 K N -0.308 120.074 120.400 -0.031 0.000 2.001 177 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 177 K C 2.518 179.123 176.600 0.008 0.000 1.048 177 K CA 1.833 58.114 56.287 -0.010 0.000 0.932 177 K CB -0.280 32.217 32.500 -0.005 0.000 0.715 177 K HN 0.283 nan 8.250 nan 0.000 0.437 178 T N 1.248 115.812 114.554 0.017 0.000 2.821 178 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 178 T C 1.956 176.652 174.700 -0.007 0.000 1.046 178 T CA 1.191 63.317 62.100 0.043 0.000 1.139 178 T CB -0.205 68.702 68.868 0.065 0.000 0.871 178 T HN 0.315 nan 8.240 nan 0.000 0.454 179 A N 1.020 123.811 122.820 -0.047 0.000 1.978 179 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 179 A C 2.547 180.073 177.584 -0.097 0.000 1.170 179 A CA 1.321 53.289 52.037 -0.116 0.000 0.636 179 A CB -0.970 17.947 19.000 -0.137 0.000 0.810 179 A HN 0.375 nan 8.150 nan 0.000 0.448 180 V N -0.320 119.566 119.914 -0.048 0.000 2.307 180 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 180 V C 3.055 179.140 176.094 -0.015 0.000 1.045 180 V CA 1.926 64.207 62.300 -0.030 0.000 1.024 180 V CB -1.245 30.572 31.823 -0.010 0.000 0.651 180 V HN 0.624 nan 8.190 nan 0.000 0.449 181 A N -0.192 122.633 122.820 0.007 0.000 1.877 181 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 181 A C 2.174 179.766 177.584 0.013 0.000 1.186 181 A CA 2.145 54.202 52.037 0.034 0.000 0.620 181 A CB -0.654 18.404 19.000 0.097 0.000 0.822 181 A HN 0.438 nan 8.150 nan 0.000 0.443 182 L N 0.016 121.223 121.223 -0.026 0.000 2.046 182 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 182 L C 1.603 178.438 176.870 -0.059 0.000 1.077 182 L CA 2.480 57.279 54.840 -0.068 0.000 0.747 182 L CB -0.620 41.377 42.059 -0.104 0.000 0.896 182 L HN 0.328 nan 8.230 nan 0.000 0.432 183 D N -1.308 119.044 120.400 -0.079 0.000 2.178 183 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 183 D C 2.070 178.367 176.300 -0.005 0.000 0.980 183 D CA 1.604 55.566 54.000 -0.063 0.000 0.842 183 D CB -0.123 40.623 40.800 -0.091 0.000 0.948 183 D HN 0.378 nan 8.370 nan 0.000 0.472 184 T N 0.641 115.199 114.554 0.006 0.000 2.737 184 T HA -0.026 4.324 4.350 -0.000 0.000 0.265 184 T C 2.211 176.947 174.700 0.061 0.000 1.038 184 T CA 0.439 62.559 62.100 0.033 0.000 1.144 184 T CB -0.119 68.763 68.868 0.023 0.000 0.866 184 T HN 0.146 nan 8.240 nan 0.000 0.434 185 I N 0.945 121.553 120.570 0.064 0.000 2.163 185 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 185 I C 2.366 178.594 176.117 0.185 0.000 1.085 185 I CA 1.307 62.684 61.300 0.127 0.000 1.347 185 I CB -0.475 37.581 38.000 0.094 0.000 1.044 185 I HN 0.205 nan 8.210 nan 0.000 0.408 186 L N 0.412 121.694 121.223 0.099 0.000 2.013 186 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 186 L C 2.257 179.200 176.870 0.120 0.000 1.073 186 L CA 1.799 56.700 54.840 0.103 0.000 0.753 186 L CB -0.857 41.209 42.059 0.011 0.000 0.890 186 L HN 0.349 nan 8.230 nan 0.000 0.432 187 N N -0.425 118.325 118.700 0.084 0.000 2.430 187 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 187 N C 1.733 177.279 175.510 0.061 0.000 1.032 187 N CA 0.802 53.891 53.050 0.065 0.000 0.893 187 N CB 0.107 38.651 38.487 0.096 0.000 0.957 187 N HN 0.256 nan 8.380 nan 0.000 0.442 188 Q N 0.150 119.999 119.800 0.082 0.000 2.435 188 Q HA 0.007 4.346 4.340 -0.000 0.000 0.207 188 Q C 1.403 177.294 176.000 -0.181 0.000 0.956 188 Q CA 0.508 56.318 55.803 0.013 0.000 0.917 188 Q CB -0.006 28.605 28.738 -0.211 0.000 0.997 188 Q HN 0.467 nan 8.270 nan 0.000 0.497 189 K N 0.717 121.057 120.400 -0.100 0.000 2.173 189 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 189 K C 1.976 178.424 176.600 -0.254 0.000 1.046 189 K CA 1.382 57.620 56.287 -0.082 0.000 0.929 189 K CB -0.130 32.376 32.500 0.010 0.000 0.720 189 K HN 0.224 nan 8.250 nan 0.000 0.453 190 R N -0.401 119.794 120.500 -0.508 0.000 2.127 190 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 190 R C 1.828 177.610 176.300 -0.864 0.000 1.134 190 R CA 1.437 57.017 56.100 -0.867 0.000 0.975 190 R CB -0.151 29.230 30.300 -1.531 0.000 0.865 190 R HN 0.409 nan 8.270 nan 0.000 0.447 191 W N -0.174 121.043 121.300 -0.139 0.000 2.792 191 W HA 0.213 4.873 4.660 -0.000 0.000 0.262 191 W C 1.250 177.664 176.519 -0.176 0.000 1.212 191 W CA -0.574 56.686 57.345 -0.142 0.000 1.433 191 W CB -0.468 28.902 29.460 -0.151 0.000 1.004 191 W HN 0.045 nan 8.180 nan 0.000 0.608 192 N N 1.149 119.798 118.700 -0.085 0.000 2.453 192 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 192 N C 1.070 176.534 175.510 -0.076 0.000 1.041 192 N CA 0.875 53.801 53.050 -0.206 0.000 0.900 192 N CB -0.413 37.754 38.487 -0.534 0.000 0.961 192 N HN 0.161 nan 8.380 nan 0.000 0.443 193 N N -0.120 118.545 118.700 -0.058 0.000 2.392 193 N HA 0.033 4.773 4.740 -0.000 0.000 0.177 193 N C 1.000 176.502 175.510 -0.013 0.000 1.066 193 N CA 0.137 53.174 53.050 -0.023 0.000 0.895 193 N CB 0.214 38.677 38.487 -0.039 0.000 0.988 193 N HN 0.109 nan 8.380 nan 0.000 0.457 194 G N 0.254 109.047 108.800 -0.012 0.000 2.634 194 G HA2 0.207 4.167 3.960 -0.000 0.000 0.255 194 G HA3 0.207 4.167 3.960 -0.000 0.000 0.255 194 G C 0.207 175.130 174.900 0.038 0.000 1.205 194 G CA -0.317 44.792 45.100 0.015 0.000 0.884 194 G HN 0.183 nan 8.290 nan 0.000 0.549 195 S N -0.686 115.040 115.700 0.043 0.000 2.560 195 S HA 0.296 4.766 4.470 -0.000 0.000 0.227 195 S C -0.474 174.164 174.600 0.063 0.000 1.280 195 S CA -0.607 57.625 58.200 0.054 0.000 1.260 195 S CB 0.438 63.664 63.200 0.044 0.000 1.002 195 S HN 0.489 nan 8.310 nan 0.000 0.509 196 D N 1.031 121.475 120.400 0.074 0.000 2.358 196 D HA 0.214 4.854 4.640 -0.000 0.000 0.253 196 D C 0.715 177.072 176.300 0.095 0.000 1.288 196 D CA -0.297 53.751 54.000 0.078 0.000 0.950 196 D CB 1.244 42.090 40.800 0.076 0.000 1.197 196 D HN 0.010 nan 8.370 nan 0.000 0.550 197 E N 0.978 121.244 120.200 0.111 0.000 2.171 197 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 197 E C 1.712 178.407 176.600 0.160 0.000 0.997 197 E CA 1.112 57.604 56.400 0.154 0.000 0.810 197 E CB -0.008 29.782 29.700 0.151 0.000 0.738 197 E HN 0.585 nan 8.360 nan 0.000 0.467 198 S N -0.102 115.673 115.700 0.125 0.000 2.481 198 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 198 S C 1.651 176.324 174.600 0.121 0.000 0.996 198 S CA 0.716 59.010 58.200 0.157 0.000 0.942 198 S CB 0.050 63.314 63.200 0.108 0.000 0.768 198 S HN 0.128 nan 8.310 nan 0.000 0.520 199 K N 0.546 120.972 120.400 0.044 0.000 2.354 199 K HA 0.251 4.571 4.320 -0.000 0.000 0.194 199 K C 0.247 176.793 176.600 -0.091 0.000 1.045 199 K CA -0.013 56.219 56.287 -0.093 0.000 1.026 199 K CB 0.256 32.716 32.500 -0.066 0.000 0.866 199 K HN 0.280 nan 8.250 nan 0.000 0.530 200 K N 1.289 121.691 120.400 0.003 0.000 2.355 200 K HA 0.098 4.418 4.320 -0.000 0.000 0.270 200 K C -0.715 175.778 176.600 -0.179 0.000 1.003 200 K CA -0.065 56.149 56.287 -0.122 0.000 0.957 200 K CB 0.519 32.900 32.500 -0.198 0.000 0.939 200 K HN -0.132 nan 8.250 nan 0.000 0.482 201 L N 4.227 125.242 121.223 -0.347 0.000 2.427 201 L HA 0.276 4.616 4.340 -0.000 0.000 0.264 201 L C -1.603 175.047 176.870 -0.366 0.000 0.989 201 L CA -0.344 54.345 54.840 -0.251 0.000 0.865 201 L CB 0.510 42.459 42.059 -0.183 0.000 1.209 201 L HN 0.442 nan 8.230 nan 0.000 0.430 202 Y N 2.923 123.093 120.300 -0.217 0.000 2.359 202 Y HA 0.381 4.931 4.550 -0.000 0.000 0.330 202 Y C 0.491 176.267 175.900 -0.206 0.000 1.143 202 Y CA -0.037 57.885 58.100 -0.296 0.000 1.318 202 Y CB 0.790 38.746 38.460 -0.840 0.000 1.234 202 Y HN 0.465 nan 8.280 nan 0.000 0.522 203 C N 3.552 122.912 119.300 0.100 0.000 2.319 203 C HA 0.603 5.063 4.460 -0.000 0.000 0.323 203 C C -0.304 174.732 174.990 0.078 0.000 1.277 203 C CA -1.204 57.870 59.018 0.094 0.000 1.517 203 C CB 0.188 28.039 27.740 0.184 0.000 2.206 203 C HN 0.551 nan 8.230 nan 0.000 0.486 204 V N 3.921 123.860 119.914 0.042 0.000 2.347 204 V HA 0.266 4.386 4.120 -0.000 0.000 0.280 204 V C -0.741 175.370 176.094 0.029 0.000 1.021 204 V CA -0.492 61.834 62.300 0.044 0.000 0.847 204 V CB 0.870 32.707 31.823 0.024 0.000 0.990 204 V HN 0.793 nan 8.190 nan 0.000 0.444 205 Y N 5.264 125.533 120.300 -0.052 0.000 2.353 205 Y HA 0.612 5.162 4.550 -0.000 0.000 0.340 205 Y C -0.252 175.618 175.900 -0.051 0.000 0.972 205 Y CA -0.628 57.434 58.100 -0.064 0.000 1.157 205 Y CB 1.549 39.987 38.460 -0.037 0.000 1.157 205 Y HN 0.420 nan 8.280 nan 0.000 0.495 206 V N 6.324 125.891 119.914 -0.579 0.000 2.328 206 V HA 0.634 4.754 4.120 -0.000 0.000 0.278 206 V C -0.039 175.763 176.094 -0.487 0.000 1.021 206 V CA -0.755 61.326 62.300 -0.365 0.000 0.838 206 V CB 0.748 32.457 31.823 -0.189 0.000 0.999 206 V HN 0.920 nan 8.190 nan 0.000 0.447 207 A N 5.303 127.969 122.820 -0.257 0.000 2.253 207 A HA 0.750 5.070 4.320 -0.000 0.000 0.316 207 A C -0.490 177.071 177.584 -0.038 0.000 1.327 207 A CA -0.407 51.551 52.037 -0.131 0.000 0.917 207 A CB 0.760 19.816 19.000 0.093 0.000 1.162 207 A HN 0.656 nan 8.150 nan 0.000 0.535 208 V N 2.635 122.528 119.914 -0.034 0.000 2.384 208 V HA 0.609 4.729 4.120 -0.000 0.000 0.287 208 V C 1.228 177.342 176.094 0.034 0.000 1.020 208 V CA 0.669 62.974 62.300 0.008 0.000 0.850 208 V CB 0.838 32.662 31.823 0.002 0.000 0.987 208 V HN 1.762 nan 8.190 nan 0.000 0.436 209 G N 3.959 112.790 108.800 0.051 0.000 2.189 209 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 209 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 209 G C 0.244 175.177 174.900 0.054 0.000 0.975 209 G CA 0.380 45.515 45.100 0.058 0.000 0.644 209 G HN 0.651 nan 8.290 nan 0.000 0.537 210 Q N 0.517 120.349 119.800 0.054 0.000 2.354 210 Q HA 0.417 4.757 4.340 -0.000 0.000 0.244 210 Q C 0.779 176.813 176.000 0.056 0.000 0.969 210 Q CA -0.011 55.828 55.803 0.060 0.000 0.885 210 Q CB 0.707 29.492 28.738 0.078 0.000 1.241 210 Q HN 0.668 nan 8.270 nan 0.000 0.461 211 K N 1.010 121.441 120.400 0.051 0.000 2.258 211 K HA 0.133 4.453 4.320 -0.000 0.000 0.264 211 K C 0.431 177.058 176.600 0.047 0.000 1.007 211 K CA -0.382 55.932 56.287 0.045 0.000 0.941 211 K CB 1.060 33.583 32.500 0.038 0.000 0.966 211 K HN 0.463 nan 8.250 nan 0.000 0.480 212 R N 0.741 121.265 120.500 0.041 0.000 2.083 212 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 212 R C 2.441 178.763 176.300 0.035 0.000 1.137 212 R CA 2.244 58.368 56.100 0.039 0.000 0.951 212 R CB -0.437 29.883 30.300 0.033 0.000 0.851 212 R HN 0.968 nan 8.270 nan 0.000 0.434 213 S N -0.450 115.268 115.700 0.030 0.000 2.420 213 S HA -0.164 4.306 4.470 -0.000 0.000 0.237 213 S C 1.828 176.444 174.600 0.027 0.000 1.023 213 S CA 1.841 60.056 58.200 0.026 0.000 0.991 213 S CB -0.380 62.833 63.200 0.023 0.000 0.792 213 S HN 0.234 nan 8.310 nan 0.000 0.488 214 T N 1.987 116.563 114.554 0.036 0.000 2.770 214 T HA 0.061 4.411 4.350 -0.000 0.000 0.258 214 T C 1.934 176.659 174.700 0.041 0.000 1.039 214 T CA 1.257 63.381 62.100 0.040 0.000 1.143 214 T CB -0.519 68.379 68.868 0.050 0.000 0.866 214 T HN 0.302 nan 8.240 nan 0.000 0.428 215 V N 2.155 122.104 119.914 0.059 0.000 2.324 215 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 215 V C 2.875 178.986 176.094 0.029 0.000 1.060 215 V CA 1.803 64.143 62.300 0.067 0.000 1.042 215 V CB -1.347 30.531 31.823 0.093 0.000 0.650 215 V HN 0.523 nan 8.190 nan 0.000 0.450 216 A N -0.219 122.616 122.820 0.025 0.000 1.859 216 A HA -0.358 3.962 4.320 -0.000 0.000 0.217 216 A C 2.220 179.804 177.584 -0.001 0.000 1.198 216 A CA 2.473 54.517 52.037 0.011 0.000 0.629 216 A CB -0.739 18.269 19.000 0.013 0.000 0.830 216 A HN 0.537 nan 8.150 nan 0.000 0.446 217 Q N -0.406 119.396 119.800 0.004 0.000 2.112 217 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 217 Q C 1.898 177.888 176.000 -0.017 0.000 0.987 217 Q CA 2.175 57.977 55.803 -0.001 0.000 0.858 217 Q CB -0.583 28.161 28.738 0.011 0.000 0.905 217 Q HN 0.634 nan 8.270 nan 0.000 0.420 218 L N -0.983 120.221 121.223 -0.032 0.000 2.093 218 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 218 L C 2.011 178.822 176.870 -0.099 0.000 1.085 218 L CA 1.122 55.910 54.840 -0.087 0.000 0.755 218 L CB -0.231 41.729 42.059 -0.166 0.000 0.904 218 L HN 0.142 nan 8.230 nan 0.000 0.435 219 V N -0.269 119.604 119.914 -0.069 0.000 2.427 219 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 219 V C 2.498 178.563 176.094 -0.049 0.000 1.051 219 V CA 1.946 64.209 62.300 -0.062 0.000 1.048 219 V CB -0.527 31.277 31.823 -0.032 0.000 0.666 219 V HN 0.623 nan 8.190 nan 0.000 0.456 220 Q N -0.146 119.634 119.800 -0.034 0.000 2.124 220 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 220 Q C 2.179 178.164 176.000 -0.025 0.000 0.977 220 Q CA 2.271 58.057 55.803 -0.028 0.000 0.850 220 Q CB -0.123 28.602 28.738 -0.021 0.000 0.901 220 Q HN 0.672 nan 8.270 nan 0.000 0.429 221 T N 1.230 115.768 114.554 -0.026 0.000 2.821 221 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 221 T C 1.830 176.541 174.700 0.019 0.000 1.046 221 T CA 0.885 62.983 62.100 -0.005 0.000 1.139 221 T CB -0.116 68.738 68.868 -0.023 0.000 0.871 221 T HN 0.229 nan 8.240 nan 0.000 0.454 222 L N 0.391 121.587 121.223 -0.045 0.000 2.093 222 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 222 L C 2.709 179.552 176.870 -0.046 0.000 1.085 222 L CA 1.287 56.085 54.840 -0.069 0.000 0.755 222 L CB -0.343 41.638 42.059 -0.131 0.000 0.904 222 L HN 0.260 nan 8.230 nan 0.000 0.435 223 E N -0.391 119.783 120.200 -0.043 0.000 2.047 223 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 223 E C 2.220 178.800 176.600 -0.033 0.000 0.987 223 E CA 0.907 57.280 56.400 -0.046 0.000 0.799 223 E CB 0.025 29.699 29.700 -0.044 0.000 0.752 223 E HN 0.416 nan 8.360 nan 0.000 0.449 224 Q N -0.411 119.376 119.800 -0.022 0.000 2.248 224 Q HA -0.175 4.165 4.340 -0.000 0.000 0.208 224 Q C 1.216 177.128 176.000 -0.147 0.000 0.984 224 Q CA 1.034 56.792 55.803 -0.074 0.000 0.875 224 Q CB -0.016 28.680 28.738 -0.070 0.000 0.910 224 Q HN 0.461 nan 8.270 nan 0.000 0.433 225 H N -0.683 118.336 119.070 -0.084 0.000 2.520 225 H HA 0.018 4.574 4.556 -0.000 0.000 0.284 225 H C -0.185 175.109 175.328 -0.057 0.000 1.037 225 H CA 0.118 56.127 56.048 -0.065 0.000 1.168 225 H CB 0.507 30.240 29.762 -0.048 0.000 1.497 225 H HN 0.215 nan 8.280 nan 0.000 0.547 226 D N 0.620 121.020 120.400 0.001 0.000 2.708 226 D HA -0.197 4.443 4.640 -0.000 0.000 0.236 226 D C 0.823 177.076 176.300 -0.078 0.000 1.146 226 D CA 0.692 54.673 54.000 -0.031 0.000 0.662 226 D CB -0.935 39.858 40.800 -0.012 0.000 1.059 226 D HN 0.526 nan 8.370 nan 0.000 0.428 227 A N -0.721 121.989 122.820 -0.182 0.000 2.382 227 A HA 0.222 4.542 4.320 -0.000 0.000 0.228 227 A C 1.770 178.904 177.584 -0.749 0.000 1.217 227 A CA 0.686 52.401 52.037 -0.537 0.000 0.923 227 A CB 0.018 18.864 19.000 -0.256 0.000 0.979 227 A HN 0.290 nan 8.150 nan 0.000 0.515 228 M N 1.455 120.836 119.600 -0.365 0.000 2.229 228 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 228 M C 1.962 178.118 176.300 -0.239 0.000 1.063 228 M CA 1.955 57.101 55.300 -0.258 0.000 1.114 228 M CB -0.513 32.007 32.600 -0.133 0.000 1.387 228 M HN 0.473 nan 8.290 nan 0.000 0.420 229 K N -0.375 119.891 120.400 -0.224 0.000 2.360 229 K HA -0.181 4.139 4.320 -0.000 0.000 0.201 229 K C 0.620 177.242 176.600 0.037 0.000 1.046 229 K CA 1.695 57.942 56.287 -0.067 0.000 0.945 229 K CB -0.759 31.740 32.500 -0.001 0.000 0.750 229 K HN 0.624 nan 8.250 nan 0.000 0.464 230 Y N -0.984 119.342 120.300 0.043 0.000 2.612 230 Y HA 0.505 5.055 4.550 -0.000 0.000 0.250 230 Y C -0.188 175.746 175.900 0.057 0.000 1.175 230 Y CA -1.150 56.988 58.100 0.062 0.000 1.205 230 Y CB 0.260 38.676 38.460 -0.073 0.000 1.201 230 Y HN -0.146 nan 8.280 nan 0.000 0.532 231 S N 1.338 117.013 115.700 -0.041 0.000 2.593 231 S HA 0.732 5.202 4.470 -0.000 0.000 0.297 231 S C -0.621 174.011 174.600 0.053 0.000 1.112 231 S CA -0.614 57.592 58.200 0.010 0.000 1.043 231 S CB 1.449 64.587 63.200 -0.104 0.000 1.054 231 S HN 0.267 nan 8.310 nan 0.000 0.516 232 I N 2.614 123.234 120.570 0.084 0.000 2.466 232 I HA 0.395 4.565 4.170 -0.000 0.000 0.289 232 I C -1.057 175.116 176.117 0.094 0.000 1.026 232 I CA -0.595 60.757 61.300 0.086 0.000 1.078 232 I CB 1.548 39.618 38.000 0.117 0.000 1.249 232 I HN 0.350 nan 8.210 nan 0.000 0.429 233 I N 7.006 127.627 120.570 0.084 0.000 2.330 233 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 233 I C -0.027 176.140 176.117 0.082 0.000 1.025 233 I CA -0.633 60.739 61.300 0.121 0.000 1.197 233 I CB 1.265 39.333 38.000 0.113 0.000 1.358 233 I HN 0.169 nan 8.210 nan 0.000 0.467 234 V N 5.996 125.948 119.914 0.063 0.000 2.407 234 V HA 0.673 4.792 4.120 -0.000 0.000 0.278 234 V C 0.481 176.591 176.094 0.027 0.000 1.037 234 V CA -0.450 61.870 62.300 0.032 0.000 0.900 234 V CB 1.460 33.292 31.823 0.015 0.000 0.983 234 V HN 0.854 nan 8.190 nan 0.000 0.459 235 A N 4.561 127.401 122.820 0.033 0.000 2.353 235 A HA 0.850 5.170 4.320 -0.000 0.000 0.299 235 A C -0.134 177.472 177.584 0.038 0.000 1.089 235 A CA -0.339 51.722 52.037 0.040 0.000 0.736 235 A CB 1.426 20.461 19.000 0.058 0.000 1.195 235 A HN 1.207 nan 8.150 nan 0.000 0.447 236 A N 3.068 125.911 122.820 0.039 0.000 2.508 236 A HA 0.631 4.951 4.320 -0.000 0.000 0.336 236 A C 0.547 178.166 177.584 0.058 0.000 1.360 236 A CA 0.055 52.125 52.037 0.054 0.000 0.841 236 A CB -0.469 18.571 19.000 0.066 0.000 1.136 236 A HN 1.257 nan 8.150 nan 0.000 0.489 237 T N -1.117 113.470 114.554 0.056 0.000 2.788 237 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 237 T C 1.604 176.338 174.700 0.057 0.000 0.984 237 T CA 0.011 62.144 62.100 0.055 0.000 0.972 237 T CB 1.098 69.996 68.868 0.051 0.000 1.039 237 T HN 1.051 nan 8.240 nan 0.000 0.530 238 A N 1.066 123.918 122.820 0.052 0.000 1.958 238 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 238 A C 2.549 180.162 177.584 0.049 0.000 1.178 238 A CA 2.513 54.581 52.037 0.051 0.000 0.642 238 A CB -1.490 17.537 19.000 0.045 0.000 0.816 238 A HN 1.199 nan 8.150 nan 0.000 0.453 239 S N -0.466 115.261 115.700 0.045 0.000 2.528 239 S HA 0.067 4.537 4.470 -0.000 0.000 0.219 239 S C 0.489 175.117 174.600 0.047 0.000 0.985 239 S CA -0.064 58.161 58.200 0.041 0.000 0.914 239 S CB -0.236 62.984 63.200 0.034 0.000 0.776 239 S HN 0.613 nan 8.310 nan 0.000 0.526 240 E N 1.627 121.862 120.200 0.058 0.000 2.390 240 E HA 0.448 4.798 4.350 -0.000 0.000 0.261 240 E C 0.129 176.779 176.600 0.083 0.000 1.076 240 E CA -0.110 56.333 56.400 0.071 0.000 0.905 240 E CB 0.683 30.430 29.700 0.079 0.000 0.984 240 E HN 0.470 nan 8.360 nan 0.000 0.427 241 A N 1.888 124.764 122.820 0.094 0.000 2.567 241 A HA 0.117 4.437 4.320 -0.000 0.000 0.240 241 A C 1.394 179.053 177.584 0.124 0.000 1.053 241 A CA 0.721 52.815 52.037 0.095 0.000 0.755 241 A CB 0.139 19.203 19.000 0.105 0.000 0.978 241 A HN 0.804 nan 8.150 nan 0.000 0.507 242 A N 4.570 127.448 122.820 0.097 0.000 1.909 242 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 242 A C -0.112 177.592 177.584 0.201 0.000 1.223 242 A CA 2.342 54.454 52.037 0.125 0.000 0.658 242 A CB -1.827 17.220 19.000 0.079 0.000 0.831 242 A HN 0.657 nan 8.150 nan 0.000 0.462 243 P HA -0.072 nan 4.420 nan 0.000 0.223 243 P C 1.176 178.776 177.300 0.500 0.000 1.144 243 P CA 0.753 64.023 63.100 0.284 0.000 0.783 243 P CB -0.063 31.674 31.700 0.063 0.000 0.771 244 L N -1.358 120.100 121.223 0.391 0.000 2.127 244 L HA -0.076 4.264 4.340 -0.000 0.000 0.203 244 L C 2.564 179.568 176.870 0.224 0.000 1.080 244 L CA 1.117 56.140 54.840 0.306 0.000 0.768 244 L CB -0.874 41.317 42.059 0.219 0.000 0.924 244 L HN -0.055 nan 8.230 nan 0.000 0.444 245 Q N -0.476 119.450 119.800 0.209 0.000 2.061 245 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 245 Q C 2.156 178.271 176.000 0.193 0.000 0.984 245 Q CA 2.233 58.136 55.803 0.166 0.000 0.846 245 Q CB -0.461 28.370 28.738 0.154 0.000 0.902 245 Q HN 0.471 nan 8.270 nan 0.000 0.421 246 Y N 0.982 121.378 120.300 0.160 0.000 2.151 246 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 246 Y C 1.891 177.928 175.900 0.227 0.000 1.166 246 Y CA 1.411 59.625 58.100 0.189 0.000 1.163 246 Y CB -0.128 38.473 38.460 0.236 0.000 0.974 246 Y HN 0.092 nan 8.280 nan 0.000 0.511 247 L N 0.103 121.431 121.223 0.176 0.000 2.307 247 L HA 0.211 4.551 4.340 -0.000 0.000 0.211 247 L C 2.482 179.396 176.870 0.074 0.000 1.099 247 L CA 1.350 56.264 54.840 0.123 0.000 0.816 247 L CB -0.943 41.298 42.059 0.304 0.000 0.952 247 L HN 0.280 nan 8.230 nan 0.000 0.455 248 A N 0.877 123.720 122.820 0.038 0.000 1.873 248 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 248 A C -0.138 177.431 177.584 -0.026 0.000 1.193 248 A CA 2.248 54.292 52.037 0.012 0.000 0.629 248 A CB -2.080 16.929 19.000 0.015 0.000 0.826 248 A HN 0.400 nan 8.150 nan 0.000 0.447 249 P HA -0.075 nan 4.420 nan 0.000 0.222 249 P C 0.856 178.018 177.300 -0.231 0.000 1.147 249 P CA 0.818 63.825 63.100 -0.155 0.000 0.790 249 P CB -0.124 31.247 31.700 -0.547 0.000 0.780 250 F N 0.032 119.914 119.950 -0.114 0.000 2.149 250 F HA -0.120 4.407 4.527 -0.000 0.000 0.294 250 F C 2.526 178.306 175.800 -0.032 0.000 1.095 250 F CA 1.891 59.824 58.000 -0.112 0.000 1.276 250 F CB -1.903 36.975 39.000 -0.203 0.000 1.023 250 F HN -0.039 nan 8.300 nan 0.000 0.480 251 T N -1.710 112.937 114.554 0.154 0.000 2.777 251 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 251 T C 2.189 176.938 174.700 0.081 0.000 1.040 251 T CA 1.010 63.165 62.100 0.092 0.000 1.141 251 T CB -0.930 67.966 68.868 0.047 0.000 0.868 251 T HN 0.164 nan 8.240 nan 0.000 0.444 252 A N 2.169 125.033 122.820 0.075 0.000 1.908 252 A HA 0.244 4.564 4.320 -0.000 0.000 0.218 252 A C 2.882 180.524 177.584 0.097 0.000 1.181 252 A CA 2.140 54.218 52.037 0.068 0.000 0.627 252 A CB -1.521 17.502 19.000 0.037 0.000 0.818 252 A HN 0.808 nan 8.150 nan 0.000 0.445 253 A N -0.686 122.218 122.820 0.140 0.000 1.917 253 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 253 A C 2.460 180.124 177.584 0.133 0.000 1.182 253 A CA 2.275 54.406 52.037 0.157 0.000 0.633 253 A CB -0.971 18.134 19.000 0.175 0.000 0.819 253 A HN 0.457 nan 8.150 nan 0.000 0.448 254 S N -0.668 115.105 115.700 0.121 0.000 2.382 254 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 254 S C 1.784 176.454 174.600 0.116 0.000 1.027 254 S CA 1.389 59.652 58.200 0.105 0.000 0.991 254 S CB -0.436 62.813 63.200 0.082 0.000 0.823 254 S HN 0.524 nan 8.310 nan 0.000 0.469 255 I N 1.088 121.726 120.570 0.113 0.000 2.252 255 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 255 I C 2.550 178.814 176.117 0.246 0.000 1.102 255 I CA 1.204 62.579 61.300 0.126 0.000 1.385 255 I CB -0.536 37.526 38.000 0.104 0.000 1.064 255 I HN 0.357 nan 8.210 nan 0.000 0.414 256 G N -0.398 108.552 108.800 0.250 0.000 2.443 256 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 256 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 256 G C 1.510 176.610 174.900 0.333 0.000 1.131 256 G CA 0.343 45.645 45.100 0.338 0.000 0.775 256 G HN 0.388 nan 8.290 nan 0.000 0.547 257 E N -0.861 119.467 120.200 0.214 0.000 2.274 257 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 257 E C 1.867 178.529 176.600 0.103 0.000 0.996 257 E CA 0.106 56.591 56.400 0.141 0.000 0.840 257 E CB -0.138 29.620 29.700 0.096 0.000 0.772 257 E HN 0.658 nan 8.360 nan 0.000 0.491 258 W N 0.583 121.834 121.300 -0.082 0.000 2.338 258 W HA -0.240 4.420 4.660 -0.000 0.000 0.304 258 W C 1.387 177.732 176.519 -0.290 0.000 1.212 258 W CA 1.575 58.771 57.345 -0.249 0.000 1.264 258 W CB -0.278 28.918 29.460 -0.440 0.000 1.142 258 W HN -0.011 nan 8.180 nan 0.000 0.512 259 F N 0.387 120.448 119.950 0.185 0.000 2.075 259 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 259 F C 2.774 178.454 175.800 -0.200 0.000 1.113 259 F CA 2.247 60.235 58.000 -0.020 0.000 1.218 259 F CB -1.436 37.622 39.000 0.096 0.000 0.984 259 F HN -0.182 nan 8.300 nan 0.000 0.472 260 R N 0.672 121.220 120.500 0.080 0.000 2.103 260 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 260 R C 1.555 177.775 176.300 -0.133 0.000 1.142 260 R CA 2.186 58.276 56.100 -0.018 0.000 0.960 260 R CB -0.540 29.783 30.300 0.037 0.000 0.858 260 R HN 0.197 nan 8.270 nan 0.000 0.439 261 D N 0.175 120.454 120.400 -0.202 0.000 2.269 261 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 261 D C 0.229 176.321 176.300 -0.346 0.000 0.963 261 D CA 0.785 54.637 54.000 -0.246 0.000 0.864 261 D CB -0.044 40.611 40.800 -0.240 0.000 0.936 261 D HN 0.262 nan 8.370 nan 0.000 0.505 262 N N -0.211 118.183 118.700 -0.510 0.000 2.538 262 N HA 0.215 4.955 4.740 -0.000 0.000 0.291 262 N C 0.903 176.199 175.510 -0.357 0.000 1.323 262 N CA 0.148 52.882 53.050 -0.527 0.000 0.934 262 N CB 1.267 39.188 38.487 -0.944 0.000 1.255 262 N HN 0.079 nan 8.380 nan 0.000 0.509 263 G N 0.629 109.268 108.800 -0.268 0.000 2.162 263 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 263 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 263 G C 0.275 174.989 174.900 -0.309 0.000 0.976 263 G CA 0.606 45.572 45.100 -0.223 0.000 0.655 263 G HN 0.365 nan 8.290 nan 0.000 0.533 264 K N -0.460 119.753 120.400 -0.312 0.000 2.303 264 K HA 0.767 5.087 4.320 -0.000 0.000 0.233 264 K C -0.291 176.062 176.600 -0.412 0.000 1.046 264 K CA -0.927 55.200 56.287 -0.267 0.000 0.895 264 K CB 0.907 33.460 32.500 0.088 0.000 1.220 264 K HN 0.286 nan 8.250 nan 0.000 0.470 265 H N -0.260 118.923 119.070 0.188 0.000 2.823 265 H HA 0.481 5.037 4.556 -0.000 0.000 0.332 265 H C -1.181 174.203 175.328 0.094 0.000 0.980 265 H CA -0.796 55.310 56.048 0.097 0.000 1.286 265 H CB 1.712 31.475 29.762 0.002 0.000 1.541 265 H HN 0.659 nan 8.280 nan 0.000 0.521 266 A N 3.229 126.149 122.820 0.166 0.000 2.337 266 A HA 0.590 4.910 4.320 -0.000 0.000 0.331 266 A C -0.893 176.713 177.584 0.036 0.000 1.137 266 A CA -0.695 51.376 52.037 0.057 0.000 0.807 266 A CB 1.511 20.571 19.000 0.100 0.000 1.250 266 A HN 0.506 nan 8.150 nan 0.000 0.468 267 L N 1.818 123.039 121.223 -0.003 0.000 2.346 267 L HA 0.804 5.144 4.340 -0.000 0.000 0.276 267 L C -0.913 175.929 176.870 -0.047 0.000 1.006 267 L CA -0.453 54.376 54.840 -0.019 0.000 0.817 267 L CB 1.385 43.435 42.059 -0.016 0.000 1.272 267 L HN 0.684 nan 8.230 nan 0.000 0.421 268 I N 4.740 125.242 120.570 -0.113 0.000 2.498 268 I HA 0.593 4.763 4.170 -0.000 0.000 0.290 268 I C -1.398 174.496 176.117 -0.370 0.000 1.032 268 I CA -0.661 60.480 61.300 -0.264 0.000 1.073 268 I CB 1.956 39.733 38.000 -0.371 0.000 1.251 268 I HN 0.378 nan 8.210 nan 0.000 0.426 269 V N 7.766 127.456 119.914 -0.373 0.000 2.448 269 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 269 V C -1.188 174.593 176.094 -0.522 0.000 1.025 269 V CA -0.460 61.649 62.300 -0.319 0.000 0.859 269 V CB 1.363 33.157 31.823 -0.049 0.000 0.988 269 V HN 0.491 nan 8.190 nan 0.000 0.431 270 Y N 2.395 122.578 120.300 -0.194 0.000 2.595 270 Y HA 0.468 5.018 4.550 -0.000 0.000 0.336 270 Y C 0.215 175.979 175.900 -0.228 0.000 0.996 270 Y CA -0.946 57.009 58.100 -0.241 0.000 1.260 270 Y CB 0.792 39.119 38.460 -0.222 0.000 1.108 270 Y HN 0.547 nan 8.280 nan 0.000 0.509 271 D N 3.485 123.770 120.400 -0.192 0.000 2.458 271 D HA 0.198 4.838 4.640 -0.000 0.000 0.258 271 D C -1.222 175.030 176.300 -0.081 0.000 1.134 271 D CA -0.388 53.530 54.000 -0.136 0.000 0.915 271 D CB 0.181 40.871 40.800 -0.184 0.000 1.028 271 D HN 0.659 nan 8.370 nan 0.000 0.508 272 D N 0.319 120.702 120.400 -0.028 0.000 2.552 272 D HA 0.220 4.860 4.640 -0.000 0.000 0.239 272 D C 0.791 177.074 176.300 -0.028 0.000 1.139 272 D CA -0.746 53.241 54.000 -0.021 0.000 0.914 272 D CB 0.997 41.796 40.800 -0.003 0.000 1.461 272 D HN 0.079 nan 8.370 nan 0.000 0.462 273 L N 0.222 121.400 121.223 -0.076 0.000 2.395 273 L HA -0.018 4.322 4.340 -0.000 0.000 0.218 273 L C 1.795 178.661 176.870 -0.008 0.000 1.130 273 L CA 0.465 55.227 54.840 -0.131 0.000 0.826 273 L CB -0.300 41.503 42.059 -0.427 0.000 0.941 273 L HN 0.430 nan 8.230 nan 0.000 0.451 274 S N 0.234 115.938 115.700 0.005 0.000 2.368 274 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 274 S C 1.915 176.595 174.600 0.132 0.000 1.030 274 S CA 1.358 59.602 58.200 0.072 0.000 0.999 274 S CB -0.015 63.220 63.200 0.060 0.000 0.844 274 S HN 0.398 nan 8.310 nan 0.000 0.459 275 K N 0.889 121.350 120.400 0.102 0.000 2.228 275 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 275 K C 2.394 179.079 176.600 0.142 0.000 1.051 275 K CA 0.502 56.858 56.287 0.116 0.000 0.960 275 K CB -0.092 32.457 32.500 0.081 0.000 0.743 275 K HN 0.330 nan 8.250 nan 0.000 0.458 276 Q N 0.918 120.795 119.800 0.128 0.000 2.030 276 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 276 Q C 2.109 178.257 176.000 0.247 0.000 0.986 276 Q CA 1.811 57.702 55.803 0.147 0.000 0.843 276 Q CB -0.159 28.614 28.738 0.058 0.000 0.904 276 Q HN 0.331 nan 8.270 nan 0.000 0.420 277 A N -0.042 122.942 122.820 0.274 0.000 1.978 277 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 277 A C 2.185 180.043 177.584 0.457 0.000 1.170 277 A CA 1.561 53.798 52.037 0.334 0.000 0.636 277 A CB -0.603 18.527 19.000 0.218 0.000 0.810 277 A HN 0.323 nan 8.150 nan 0.000 0.448 278 V N -0.474 119.655 119.914 0.359 0.000 2.379 278 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 278 V C 3.045 179.251 176.094 0.187 0.000 1.044 278 V CA 1.767 64.218 62.300 0.252 0.000 1.036 278 V CB -1.112 30.816 31.823 0.175 0.000 0.664 278 V HN 0.615 nan 8.190 nan 0.000 0.453 279 A N -0.730 122.219 122.820 0.215 0.000 1.908 279 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 279 A C 2.188 179.924 177.584 0.254 0.000 1.181 279 A CA 2.199 54.361 52.037 0.209 0.000 0.627 279 A CB -0.795 18.344 19.000 0.232 0.000 0.818 279 A HN 0.643 nan 8.150 nan 0.000 0.445 280 Y N 0.415 120.836 120.300 0.202 0.000 2.293 280 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 280 Y C 2.384 178.345 175.900 0.102 0.000 1.137 280 Y CA 1.621 59.832 58.100 0.184 0.000 1.202 280 Y CB -0.473 38.170 38.460 0.304 0.000 0.990 280 Y HN 0.354 nan 8.280 nan 0.000 0.537 281 R N 0.219 120.717 120.500 -0.003 0.000 2.083 281 R HA -0.242 4.098 4.340 -0.000 0.000 0.237 281 R C 2.475 178.687 176.300 -0.145 0.000 1.137 281 R CA 2.007 58.021 56.100 -0.143 0.000 0.951 281 R CB -0.428 29.785 30.300 -0.144 0.000 0.851 281 R HN 0.527 nan 8.270 nan 0.000 0.434 282 Q N 0.295 120.057 119.800 -0.064 0.000 2.014 282 Q HA -0.234 4.106 4.340 -0.000 0.000 0.207 282 Q C 2.111 178.065 176.000 -0.077 0.000 0.993 282 Q CA 2.069 57.840 55.803 -0.054 0.000 0.850 282 Q CB -0.187 28.547 28.738 -0.007 0.000 0.916 282 Q HN 0.326 nan 8.270 nan 0.000 0.417 283 L N 0.300 121.478 121.223 -0.074 0.000 1.997 283 L HA -0.356 3.984 4.340 -0.000 0.000 0.227 283 L C 2.585 179.370 176.870 -0.141 0.000 1.087 283 L CA 2.394 57.168 54.840 -0.110 0.000 0.797 283 L CB -0.885 41.094 42.059 -0.134 0.000 0.902 283 L HN 0.186 nan 8.230 nan 0.000 0.441 284 S N -1.027 114.543 115.700 -0.217 0.000 2.356 284 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 284 S C 1.926 176.448 174.600 -0.130 0.000 1.032 284 S CA 1.372 59.452 58.200 -0.200 0.000 1.005 284 S CB -0.391 62.626 63.200 -0.306 0.000 0.867 284 S HN 0.314 nan 8.310 nan 0.000 0.449 285 L N 0.853 122.001 121.223 -0.126 0.000 2.083 285 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 285 L C 2.056 178.885 176.870 -0.069 0.000 1.083 285 L CA 0.969 55.755 54.840 -0.090 0.000 0.752 285 L CB -0.516 41.490 42.059 -0.089 0.000 0.899 285 L HN 0.297 nan 8.230 nan 0.000 0.433 286 L N -0.955 120.226 121.223 -0.069 0.000 2.179 286 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 286 L C 2.134 178.974 176.870 -0.050 0.000 1.096 286 L CA 0.581 55.388 54.840 -0.054 0.000 0.779 286 L CB -0.256 41.772 42.059 -0.052 0.000 0.922 286 L HN 0.220 nan 8.230 nan 0.000 0.443 287 L N -0.066 121.120 121.223 -0.060 0.000 2.622 287 L HA 0.021 4.361 4.340 -0.000 0.000 0.233 287 L C 0.604 177.449 176.870 -0.040 0.000 1.156 287 L CA 0.219 55.029 54.840 -0.050 0.000 0.866 287 L CB -0.271 41.753 42.059 -0.058 0.000 0.980 287 L HN 0.296 nan 8.230 nan 0.000 0.448 288 R N 0.292 120.766 120.500 -0.044 0.000 3.531 288 R HA -0.165 4.175 4.340 -0.000 0.000 0.280 288 R C -0.259 176.022 176.300 -0.032 0.000 1.130 288 R CA 0.439 56.519 56.100 -0.035 0.000 0.757 288 R CB -1.819 28.467 30.300 -0.024 0.000 1.218 288 R HN 0.419 nan 8.270 nan 0.000 0.454 289 R N 1.076 121.551 120.500 -0.042 0.000 2.254 289 R HA 0.267 4.607 4.340 -0.000 0.000 0.318 289 R C -2.172 174.109 176.300 -0.033 0.000 1.031 289 R CA -1.885 54.195 56.100 -0.032 0.000 0.905 289 R CB 0.706 30.983 30.300 -0.037 0.000 1.050 289 R HN -0.109 nan 8.270 nan 0.000 0.456 290 P HA 0.033 nan 4.420 nan 0.000 0.264 290 P C -2.165 175.128 177.300 -0.011 0.000 1.193 290 P CA -0.791 62.300 63.100 -0.015 0.000 0.763 290 P CB 0.114 31.810 31.700 -0.006 0.000 0.810 291 P HA 0.230 nan 4.420 nan 0.000 0.276 291 P C 0.180 177.493 177.300 0.021 0.000 1.252 291 P CA -0.118 62.979 63.100 -0.005 0.000 0.802 291 P CB 0.984 32.669 31.700 -0.024 0.000 1.035 292 G N 0.227 109.062 108.800 0.058 0.000 2.940 292 G HA2 0.294 4.254 3.960 -0.000 0.000 0.164 292 G HA3 0.294 4.254 3.960 -0.000 0.000 0.164 292 G C -0.417 174.510 174.900 0.045 0.000 1.326 292 G CA -0.770 44.368 45.100 0.064 0.000 1.020 292 G HN 0.601 nan 8.290 nan 0.000 0.586 293 R N 0.585 121.086 120.500 0.002 0.000 2.583 293 R HA 0.024 4.364 4.340 -0.000 0.000 0.274 293 R C 0.089 176.413 176.300 0.041 0.000 0.998 293 R CA 0.932 56.973 56.100 -0.100 0.000 1.081 293 R CB -0.193 29.859 30.300 -0.414 0.000 0.940 293 R HN 0.731 nan 8.270 nan 0.000 0.413 294 E N 2.256 122.477 120.200 0.034 0.000 2.660 294 E HA -0.347 4.003 4.350 -0.000 0.000 0.260 294 E C 0.423 177.077 176.600 0.090 0.000 1.122 294 E CA 0.524 57.002 56.400 0.130 0.000 0.755 294 E CB -1.249 28.634 29.700 0.304 0.000 1.345 294 E HN 0.866 nan 8.360 nan 0.000 0.421 295 A N -2.575 120.264 122.820 0.032 0.000 3.661 295 A HA -0.319 4.001 4.320 -0.000 0.000 0.269 295 A C 0.257 177.795 177.584 -0.076 0.000 1.056 295 A CA 1.836 53.840 52.037 -0.055 0.000 1.159 295 A CB -1.881 17.042 19.000 -0.128 0.000 1.105 295 A HN 0.426 nan 8.150 nan 0.000 0.907 296 Y N 0.130 120.471 120.300 0.069 0.000 2.330 296 Y HA 0.435 4.985 4.550 -0.000 0.000 0.341 296 Y C -1.449 174.476 175.900 0.043 0.000 1.278 296 Y CA -1.297 56.846 58.100 0.073 0.000 1.453 296 Y CB -0.038 38.532 38.460 0.183 0.000 1.342 296 Y HN 0.133 nan 8.280 nan 0.000 0.590 297 P HA -0.034 nan 4.420 nan 0.000 0.269 297 P C 0.582 178.002 177.300 0.200 0.000 1.217 297 P CA 0.571 63.721 63.100 0.082 0.000 0.783 297 P CB 0.580 32.244 31.700 -0.060 0.000 0.898 298 G N 1.223 110.118 108.800 0.160 0.000 2.471 298 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 298 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 298 G C 0.468 175.505 174.900 0.228 0.000 1.125 298 G CA 0.475 45.679 45.100 0.174 0.000 0.775 298 G HN 0.624 nan 8.290 nan 0.000 0.548 299 D N 0.006 120.571 120.400 0.276 0.000 2.559 299 D HA 0.113 4.753 4.640 -0.000 0.000 0.234 299 D C 1.459 177.975 176.300 0.360 0.000 1.226 299 D CA -0.531 53.669 54.000 0.333 0.000 0.830 299 D CB 0.188 41.189 40.800 0.334 0.000 1.028 299 D HN 0.043 nan 8.370 nan 0.000 0.492 300 V N 0.074 120.181 119.914 0.322 0.000 2.913 300 V HA -0.097 4.023 4.120 -0.000 0.000 0.260 300 V C 1.559 177.657 176.094 0.008 0.000 1.098 300 V CA 1.049 63.463 62.300 0.191 0.000 1.121 300 V CB -0.852 31.057 31.823 0.143 0.000 0.714 300 V HN 0.299 nan 8.190 nan 0.000 0.487 301 F N -0.161 119.797 119.950 0.014 0.000 2.163 301 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 301 F C 2.074 177.925 175.800 0.084 0.000 1.094 301 F CA 1.994 60.002 58.000 0.014 0.000 1.290 301 F CB -0.624 38.408 39.000 0.053 0.000 1.017 301 F HN 0.305 nan 8.300 nan 0.000 0.483 302 Y N 1.018 121.225 120.300 -0.154 0.000 2.181 302 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 302 Y C 2.258 178.014 175.900 -0.240 0.000 1.146 302 Y CA 1.766 59.718 58.100 -0.246 0.000 1.164 302 Y CB -1.019 37.448 38.460 0.012 0.000 0.982 302 Y HN 0.252 nan 8.280 nan 0.000 0.515 303 L N -0.093 120.963 121.223 -0.279 0.000 2.034 303 L HA -0.332 4.008 4.340 -0.000 0.000 0.217 303 L C 2.196 178.862 176.870 -0.340 0.000 1.077 303 L CA 2.629 57.244 54.840 -0.374 0.000 0.769 303 L CB -0.883 40.884 42.059 -0.487 0.000 0.890 303 L HN 0.399 nan 8.230 nan 0.000 0.435 304 H N -1.576 117.298 119.070 -0.326 0.000 2.372 304 H HA -0.054 4.502 4.556 -0.000 0.000 0.301 304 H C 2.435 177.519 175.328 -0.408 0.000 1.065 304 H CA 0.992 56.812 56.048 -0.379 0.000 1.364 304 H CB -0.051 29.522 29.762 -0.315 0.000 1.406 304 H HN 0.584 nan 8.280 nan 0.000 0.521 305 S N 1.810 117.256 115.700 -0.423 0.000 2.356 305 S HA -0.239 4.231 4.470 -0.000 0.000 0.223 305 S C 2.158 176.607 174.600 -0.251 0.000 1.032 305 S CA 1.275 59.219 58.200 -0.426 0.000 1.005 305 S CB -0.278 62.458 63.200 -0.774 0.000 0.867 305 S HN 0.516 nan 8.310 nan 0.000 0.449 306 R N 1.179 121.484 120.500 -0.324 0.000 2.081 306 R HA 0.016 4.356 4.340 -0.000 0.000 0.235 306 R C 2.404 178.646 176.300 -0.098 0.000 1.131 306 R CA 1.411 57.364 56.100 -0.245 0.000 0.960 306 R CB -1.054 28.921 30.300 -0.542 0.000 0.856 306 R HN 0.492 nan 8.270 nan 0.000 0.436 307 L N 1.571 122.741 121.223 -0.088 0.000 1.961 307 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 307 L C 2.403 179.188 176.870 -0.141 0.000 1.072 307 L CA 1.643 56.399 54.840 -0.139 0.000 0.749 307 L CB -0.399 41.333 42.059 -0.546 0.000 0.889 307 L HN 0.178 nan 8.230 nan 0.000 0.432 308 L N -0.396 120.720 121.223 -0.179 0.000 2.353 308 L HA -0.124 4.216 4.340 -0.000 0.000 0.220 308 L C 2.351 179.205 176.870 -0.027 0.000 1.133 308 L CA 0.589 55.373 54.840 -0.093 0.000 0.798 308 L CB -0.662 41.327 42.059 -0.115 0.000 0.922 308 L HN 0.407 nan 8.230 nan 0.000 0.445 309 E N 0.375 120.555 120.200 -0.034 0.000 2.418 309 E HA -0.124 4.226 4.350 -0.000 0.000 0.197 309 E C 1.981 178.594 176.600 0.021 0.000 1.026 309 E CA 0.534 56.934 56.400 0.001 0.000 0.862 309 E CB 0.110 29.812 29.700 0.003 0.000 0.799 309 E HN 0.502 nan 8.360 nan 0.000 0.518 310 R N 0.358 120.874 120.500 0.028 0.000 2.275 310 R HA 0.120 4.460 4.340 -0.000 0.000 0.199 310 R C 0.839 177.175 176.300 0.059 0.000 0.989 310 R CA 0.219 56.348 56.100 0.048 0.000 1.016 310 R CB 0.218 30.557 30.300 0.065 0.000 0.918 310 R HN -0.089 nan 8.270 nan 0.000 0.473 311 A N 1.300 124.156 122.820 0.060 0.000 2.454 311 A HA 0.599 4.918 4.320 -0.000 0.000 0.260 311 A C -0.136 177.474 177.584 0.044 0.000 1.106 311 A CA 0.094 52.166 52.037 0.058 0.000 0.780 311 A CB 0.367 19.403 19.000 0.060 0.000 1.044 311 A HN 0.303 nan 8.150 nan 0.000 0.498 312 A N 2.247 125.093 122.820 0.043 0.000 2.586 312 A HA 0.721 5.041 4.320 -0.000 0.000 0.290 312 A C -0.930 176.679 177.584 0.042 0.000 1.086 312 A CA -0.730 51.330 52.037 0.038 0.000 0.665 312 A CB 1.017 20.038 19.000 0.035 0.000 1.279 312 A HN 0.918 nan 8.150 nan 0.000 0.423 313 K N 1.254 121.679 120.400 0.041 0.000 2.339 313 K HA 0.674 4.994 4.320 -0.000 0.000 0.264 313 K C -1.244 175.386 176.600 0.051 0.000 0.986 313 K CA -0.279 56.039 56.287 0.051 0.000 0.866 313 K CB 0.298 32.827 32.500 0.047 0.000 1.103 313 K HN 0.591 nan 8.250 nan 0.000 0.441 314 L N 3.120 124.370 121.223 0.045 0.000 2.418 314 L HA 0.339 4.679 4.340 -0.000 0.000 0.265 314 L C 0.672 177.566 176.870 0.040 0.000 1.143 314 L CA -0.730 54.127 54.840 0.029 0.000 0.809 314 L CB 1.227 43.288 42.059 0.004 0.000 1.124 314 L HN 0.850 nan 8.230 nan 0.000 0.456 315 S N 0.297 116.014 115.700 0.028 0.000 2.617 315 S HA 0.084 4.554 4.470 -0.000 0.000 0.259 315 S C 0.825 175.438 174.600 0.021 0.000 1.301 315 S CA -0.638 57.578 58.200 0.028 0.000 0.984 315 S CB 0.913 64.122 63.200 0.015 0.000 0.954 315 S HN 0.658 nan 8.310 nan 0.000 0.572 316 E N 0.658 120.869 120.200 0.019 0.000 2.058 316 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 316 E C 1.913 178.512 176.600 -0.001 0.000 0.997 316 E CA 1.268 57.675 56.400 0.012 0.000 0.801 316 E CB -0.215 29.490 29.700 0.008 0.000 0.746 316 E HN 0.727 nan 8.360 nan 0.000 0.450 317 K N 0.726 121.124 120.400 -0.004 0.000 2.281 317 K HA -0.159 4.161 4.320 -0.000 0.000 0.203 317 K C 0.953 177.543 176.600 -0.017 0.000 1.046 317 K CA 1.062 57.343 56.287 -0.010 0.000 0.938 317 K CB 0.253 32.748 32.500 -0.008 0.000 0.737 317 K HN 0.001 nan 8.250 nan 0.000 0.458 318 E N -0.993 119.196 120.200 -0.018 0.000 2.558 318 E HA 0.102 4.452 4.350 -0.000 0.000 0.205 318 E C 0.541 177.114 176.600 -0.046 0.000 1.006 318 E CA 0.460 56.842 56.400 -0.031 0.000 0.961 318 E CB 1.232 30.918 29.700 -0.025 0.000 1.044 318 E HN 0.490 nan 8.360 nan 0.000 0.465 319 G N 1.447 110.224 108.800 -0.038 0.000 2.176 319 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.253 319 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.253 319 G C 0.674 175.548 174.900 -0.042 0.000 0.979 319 G CA 0.349 45.417 45.100 -0.052 0.000 0.641 319 G HN 0.160 nan 8.290 nan 0.000 0.530 320 S N -1.753 113.942 115.700 -0.008 0.000 3.146 320 S HA -0.190 4.280 4.470 -0.000 0.000 0.285 320 S C 1.767 176.388 174.600 0.036 0.000 1.293 320 S CA 1.745 59.969 58.200 0.041 0.000 1.137 320 S CB -1.466 61.779 63.200 0.076 0.000 1.357 320 S HN 2.250 nan 8.310 nan 0.000 0.678 321 G N 1.114 109.865 108.800 -0.081 0.000 2.636 321 G HA2 0.518 4.478 3.960 -0.000 0.000 0.246 321 G HA3 0.518 4.478 3.960 -0.000 0.000 0.246 321 G C -0.039 174.857 174.900 -0.007 0.000 1.216 321 G CA 0.409 45.393 45.100 -0.194 0.000 0.854 321 G HN 1.175 nan 8.290 nan 0.000 0.572 322 S N -1.013 114.731 115.700 0.074 0.000 2.618 322 S HA 0.681 5.151 4.470 -0.000 0.000 0.277 322 S C -1.286 173.387 174.600 0.122 0.000 1.138 322 S CA -0.865 57.419 58.200 0.141 0.000 0.844 322 S CB 1.975 65.294 63.200 0.199 0.000 1.127 322 S HN 1.160 nan 8.310 nan 0.000 0.474 323 L N 1.265 122.542 121.223 0.089 0.000 2.406 323 L HA 0.736 5.076 4.340 -0.000 0.000 0.272 323 L C -0.944 175.956 176.870 0.050 0.000 0.980 323 L CA 0.164 55.053 54.840 0.081 0.000 0.831 323 L CB 2.053 44.164 42.059 0.087 0.000 1.253 323 L HN 0.898 nan 8.230 nan 0.000 0.406 324 T N 4.107 118.678 114.554 0.028 0.000 2.824 324 T HA 0.844 5.194 4.350 -0.000 0.000 0.280 324 T C -0.374 174.320 174.700 -0.011 0.000 0.995 324 T CA -0.271 61.831 62.100 0.004 0.000 1.009 324 T CB 1.534 70.391 68.868 -0.019 0.000 0.955 324 T HN 0.794 nan 8.240 nan 0.000 0.452 325 A N 3.064 125.884 122.820 0.000 0.000 2.343 325 A HA 0.769 5.089 4.320 -0.000 0.000 0.316 325 A C -0.654 176.930 177.584 0.000 0.000 1.104 325 A CA -0.731 51.302 52.037 -0.006 0.000 0.768 325 A CB 0.697 19.756 19.000 0.099 0.000 1.213 325 A HN 0.858 nan 8.150 nan 0.000 0.456 326 L N 4.482 125.684 121.223 -0.034 0.000 2.445 326 L HA 0.324 4.664 4.340 -0.000 0.000 0.252 326 L C -2.291 174.590 176.870 0.018 0.000 1.105 326 L CA -1.777 53.059 54.840 -0.007 0.000 0.943 326 L CB 1.521 43.572 42.059 -0.014 0.000 1.277 326 L HN 0.494 nan 8.230 nan 0.000 0.465 327 P HA 0.117 nan 4.420 nan 0.000 0.271 327 P C -0.526 176.782 177.300 0.014 0.000 1.218 327 P CA -0.115 63.040 63.100 0.092 0.000 0.780 327 P CB 1.893 33.601 31.700 0.014 0.000 0.901 328 V N 4.120 124.033 119.914 -0.002 0.000 2.459 328 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 328 V C 0.376 176.448 176.094 -0.036 0.000 1.029 328 V CA -0.605 61.690 62.300 -0.008 0.000 0.874 328 V CB 1.684 33.510 31.823 0.006 0.000 0.985 328 V HN 0.415 nan 8.190 nan 0.000 0.438 329 I N 3.407 123.965 120.570 -0.020 0.000 2.569 329 I HA 0.489 4.659 4.170 -0.000 0.000 0.296 329 I C -0.092 176.039 176.117 0.023 0.000 1.028 329 I CA -0.496 60.793 61.300 -0.018 0.000 1.082 329 I CB 2.160 40.138 38.000 -0.035 0.000 1.264 329 I HN 0.773 nan 8.210 nan 0.000 0.429 330 E N 3.903 124.121 120.200 0.030 0.000 2.166 330 E HA 0.490 4.840 4.350 -0.000 0.000 0.275 330 E C -0.741 175.896 176.600 0.063 0.000 0.941 330 E CA -0.427 56.001 56.400 0.046 0.000 0.784 330 E CB 1.429 31.154 29.700 0.041 0.000 1.115 330 E HN 0.710 nan 8.360 nan 0.000 0.399 331 T N 1.598 116.200 114.554 0.081 0.000 2.952 331 T HA 0.390 4.740 4.350 -0.000 0.000 0.286 331 T C -0.289 174.462 174.700 0.084 0.000 1.024 331 T CA -1.068 61.088 62.100 0.094 0.000 1.029 331 T CB 1.556 70.508 68.868 0.140 0.000 1.094 331 T HN 0.341 nan 8.240 nan 0.000 0.515 332 Q N 0.515 120.366 119.800 0.085 0.000 2.333 332 Q HA 0.478 4.818 4.340 -0.000 0.000 0.265 332 Q C 0.903 176.948 176.000 0.075 0.000 0.989 332 Q CA -0.108 55.739 55.803 0.074 0.000 0.842 332 Q CB 1.241 30.023 28.738 0.073 0.000 1.262 332 Q HN 1.344 nan 8.270 nan 0.000 0.451 333 G N 1.836 110.677 108.800 0.068 0.000 2.305 333 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.287 333 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.287 333 G C 0.807 175.763 174.900 0.093 0.000 1.036 333 G CA 0.858 46.000 45.100 0.070 0.000 0.887 333 G HN 1.291 nan 8.290 nan 0.000 0.505 334 G N -0.763 108.111 108.800 0.124 0.000 2.179 334 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 334 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 334 G C 0.290 175.298 174.900 0.180 0.000 1.010 334 G CA 0.915 46.139 45.100 0.207 0.000 0.736 334 G HN 1.224 nan 8.290 nan 0.000 0.513 335 D N 0.782 121.249 120.400 0.112 0.000 2.508 335 D HA 0.339 4.979 4.640 -0.000 0.000 0.224 335 D C 1.919 178.236 176.300 0.028 0.000 1.171 335 D CA 0.292 54.329 54.000 0.062 0.000 1.006 335 D CB 0.355 41.192 40.800 0.062 0.000 1.073 335 D HN 0.349 nan 8.370 nan 0.000 0.513 336 V N 1.303 121.185 119.914 -0.053 0.000 2.809 336 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 336 V C 1.942 177.974 176.094 -0.102 0.000 1.080 336 V CA 0.757 62.958 62.300 -0.164 0.000 1.102 336 V CB -0.513 31.018 31.823 -0.488 0.000 0.705 336 V HN 0.278 nan 8.190 nan 0.000 0.475 337 S N 0.510 116.174 115.700 -0.060 0.000 2.603 337 S HA 0.477 4.947 4.470 -0.000 0.000 0.220 337 S C 1.158 175.770 174.600 0.019 0.000 0.967 337 S CA 0.391 58.576 58.200 -0.026 0.000 0.920 337 S CB -0.381 62.807 63.200 -0.019 0.000 0.773 337 S HN 0.778 nan 8.310 nan 0.000 0.529 338 A N 0.577 123.418 122.820 0.034 0.000 2.386 338 A HA 0.366 4.686 4.320 -0.000 0.000 0.246 338 A C 0.915 178.572 177.584 0.122 0.000 1.089 338 A CA -0.288 51.799 52.037 0.084 0.000 0.790 338 A CB -0.134 18.918 19.000 0.088 0.000 1.042 338 A HN 0.326 nan 8.150 nan 0.000 0.497 339 Y N 1.183 121.493 120.300 0.016 0.000 1.979 339 Y HA -0.272 4.278 4.550 -0.000 0.000 0.262 339 Y C 1.950 177.847 175.900 -0.005 0.000 1.142 339 Y CA 2.490 60.594 58.100 0.008 0.000 1.096 339 Y CB -0.312 38.159 38.460 0.019 0.000 0.958 339 Y HN 0.492 nan 8.280 nan 0.000 0.484 340 I N 0.426 120.866 120.570 -0.218 0.000 2.226 340 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 340 I C -0.405 175.621 176.117 -0.152 0.000 1.100 340 I CA 1.425 62.524 61.300 -0.335 0.000 1.374 340 I CB -2.844 34.990 38.000 -0.277 0.000 1.057 340 I HN 0.229 nan 8.210 nan 0.000 0.413 341 P HA -0.136 nan 4.420 nan 0.000 0.215 341 P C 1.865 179.136 177.300 -0.048 0.000 1.153 341 P CA 2.342 65.416 63.100 -0.044 0.000 0.853 341 P CB -0.218 31.474 31.700 -0.015 0.000 0.788 342 T N -3.644 110.888 114.554 -0.036 0.000 2.788 342 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 342 T C 1.752 176.447 174.700 -0.009 0.000 1.044 342 T CA 1.288 63.377 62.100 -0.020 0.000 1.139 342 T CB -1.220 67.653 68.868 0.009 0.000 0.867 342 T HN -0.053 nan 8.240 nan 0.000 0.454 343 N N 1.561 120.237 118.700 -0.040 0.000 2.021 343 N HA -0.101 4.639 4.740 -0.000 0.000 0.198 343 N C 1.965 177.541 175.510 0.111 0.000 1.041 343 N CA 1.616 54.696 53.050 0.050 0.000 0.862 343 N CB -1.020 37.442 38.487 -0.042 0.000 1.048 343 N HN 0.353 nan 8.380 nan 0.000 0.427 344 V N 1.281 121.203 119.914 0.014 0.000 2.407 344 V HA -0.153 3.967 4.120 -0.000 0.000 0.248 344 V C 2.234 178.321 176.094 -0.011 0.000 1.055 344 V CA 1.133 63.411 62.300 -0.037 0.000 1.049 344 V CB -0.485 31.249 31.823 -0.148 0.000 0.662 344 V HN 0.261 nan 8.190 nan 0.000 0.455 345 I N 1.450 122.014 120.570 -0.009 0.000 2.264 345 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 345 I C 2.504 178.635 176.117 0.023 0.000 1.111 345 I CA 1.995 63.293 61.300 -0.004 0.000 1.382 345 I CB -0.423 37.563 38.000 -0.023 0.000 1.060 345 I HN 0.491 nan 8.210 nan 0.000 0.418 346 S N 0.044 115.776 115.700 0.053 0.000 2.561 346 S HA 0.083 4.553 4.470 -0.000 0.000 0.225 346 S C 1.698 176.378 174.600 0.133 0.000 0.977 346 S CA 0.326 58.575 58.200 0.082 0.000 0.926 346 S CB -0.440 62.808 63.200 0.079 0.000 0.769 346 S HN 0.434 nan 8.310 nan 0.000 0.533 347 I N 1.998 122.640 120.570 0.120 0.000 2.731 347 I HA 0.029 4.199 4.170 -0.000 0.000 0.260 347 I C 1.585 177.725 176.117 0.038 0.000 1.138 347 I CA 0.737 62.088 61.300 0.086 0.000 1.461 347 I CB -0.341 37.666 38.000 0.012 0.000 1.128 347 I HN 0.389 nan 8.210 nan 0.000 0.438 348 T N -1.992 112.573 114.554 0.019 0.000 2.874 348 T HA 0.117 4.467 4.350 -0.000 0.000 0.281 348 T C 0.358 175.070 174.700 0.019 0.000 0.994 348 T CA -0.626 61.481 62.100 0.011 0.000 1.015 348 T CB 0.960 69.828 68.868 -0.000 0.000 1.028 348 T HN 0.016 nan 8.240 nan 0.000 0.523 349 D N 1.299 121.710 120.400 0.018 0.000 2.652 349 D HA 0.377 5.017 4.640 -0.000 0.000 0.247 349 D C 1.086 177.396 176.300 0.017 0.000 1.232 349 D CA 0.763 54.774 54.000 0.018 0.000 0.863 349 D CB -0.746 40.064 40.800 0.017 0.000 1.023 349 D HN 1.031 nan 8.370 nan 0.000 0.474 350 G N 0.770 109.581 108.800 0.017 0.000 2.408 350 G HA2 0.038 3.998 3.960 -0.000 0.000 0.682 350 G HA3 0.038 3.998 3.960 -0.000 0.000 0.682 350 G C -1.493 173.420 174.900 0.022 0.000 1.303 350 G CA -1.086 44.026 45.100 0.019 0.000 0.966 350 G HN 0.160 nan 8.290 nan 0.000 0.560 351 Q N -1.216 118.603 119.800 0.033 0.000 2.379 351 Q HA 0.737 5.077 4.340 -0.000 0.000 0.278 351 Q C -0.479 175.566 176.000 0.076 0.000 1.068 351 Q CA -0.679 55.154 55.803 0.050 0.000 0.816 351 Q CB 2.075 30.844 28.738 0.052 0.000 1.387 351 Q HN 0.747 nan 8.270 nan 0.000 0.413 352 I N 2.037 122.657 120.570 0.084 0.000 2.304 352 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 352 I C -0.897 175.319 176.117 0.165 0.000 1.018 352 I CA -0.641 60.718 61.300 0.099 0.000 1.260 352 I CB 0.416 38.450 38.000 0.057 0.000 1.390 352 I HN 0.499 nan 8.210 nan 0.000 0.475 353 F N 8.194 128.151 119.950 0.013 0.000 2.415 353 F HA 0.599 5.126 4.527 -0.000 0.000 0.348 353 F C -0.920 174.890 175.800 0.018 0.000 1.119 353 F CA -0.836 57.172 58.000 0.013 0.000 1.069 353 F CB 0.755 39.763 39.000 0.014 0.000 1.124 353 F HN 0.191 nan 8.300 nan 0.000 0.472 354 L N 5.871 126.768 121.223 -0.543 0.000 2.329 354 L HA 0.546 4.886 4.340 -0.000 0.000 0.279 354 L C -0.707 175.756 176.870 -0.679 0.000 1.014 354 L CA -0.696 53.866 54.840 -0.463 0.000 0.814 354 L CB 1.890 43.826 42.059 -0.206 0.000 1.257 354 L HN 0.558 nan 8.230 nan 0.000 0.424 355 E N 0.896 120.833 120.200 -0.439 0.000 2.256 355 E HA 0.377 4.727 4.350 -0.000 0.000 0.268 355 E C 0.119 176.642 176.600 -0.129 0.000 0.877 355 E CA -0.481 55.724 56.400 -0.324 0.000 0.757 355 E CB 2.433 31.967 29.700 -0.277 0.000 1.183 355 E HN 0.731 nan 8.360 nan 0.000 0.418 356 A N 3.033 125.787 122.820 -0.109 0.000 1.883 356 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 356 A C 1.942 179.593 177.584 0.113 0.000 1.186 356 A CA 2.205 54.203 52.037 -0.066 0.000 0.624 356 A CB -0.402 18.605 19.000 0.012 0.000 0.822 356 A HN 0.838 nan 8.150 nan 0.000 0.444 357 E N -0.150 120.119 120.200 0.115 0.000 2.097 357 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 357 E C 1.894 178.569 176.600 0.125 0.000 1.000 357 E CA 1.588 58.072 56.400 0.140 0.000 0.804 357 E CB -0.279 29.475 29.700 0.090 0.000 0.740 357 E HN 0.643 nan 8.360 nan 0.000 0.454 358 L N -0.291 120.975 121.223 0.071 0.000 2.027 358 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 358 L C 2.464 179.370 176.870 0.061 0.000 1.074 358 L CA 1.159 56.030 54.840 0.051 0.000 0.745 358 L CB -0.533 41.533 42.059 0.012 0.000 0.898 358 L HN 0.235 nan 8.230 nan 0.000 0.433 359 F N -0.009 119.862 119.950 -0.132 0.000 2.065 359 F HA -0.342 4.185 4.527 -0.000 0.000 0.298 359 F C 2.353 178.037 175.800 -0.193 0.000 1.112 359 F CA 1.770 59.636 58.000 -0.225 0.000 1.212 359 F CB -0.270 38.491 39.000 -0.399 0.000 0.975 359 F HN -0.038 nan 8.300 nan 0.000 0.476 360 Y N 0.538 121.018 120.300 0.300 0.000 2.439 360 Y HA -0.066 4.484 4.550 -0.000 0.000 0.292 360 Y C 2.128 178.062 175.900 0.055 0.000 1.130 360 Y CA 1.016 59.226 58.100 0.183 0.000 1.254 360 Y CB -0.670 37.893 38.460 0.172 0.000 1.000 360 Y HN 0.061 nan 8.280 nan 0.000 0.554 361 K N -1.052 119.447 120.400 0.166 0.000 2.432 361 K HA 0.102 4.422 4.320 -0.000 0.000 0.196 361 K C 1.492 178.110 176.600 0.029 0.000 1.038 361 K CA 0.820 57.160 56.287 0.088 0.000 0.986 361 K CB -0.001 32.541 32.500 0.071 0.000 0.782 361 K HN 0.463 nan 8.250 nan 0.000 0.485 362 G N 1.256 110.038 108.800 -0.031 0.000 2.316 362 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.203 362 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.203 362 G C 0.193 175.013 174.900 -0.134 0.000 0.999 362 G CA -0.560 44.486 45.100 -0.090 0.000 0.649 362 G HN 0.162 nan 8.290 nan 0.000 0.489 363 I N 2.535 123.051 120.570 -0.090 0.000 2.574 363 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 363 I C 0.607 176.642 176.117 -0.137 0.000 1.131 363 I CA 0.522 61.776 61.300 -0.075 0.000 1.352 363 I CB 0.155 38.144 38.000 -0.018 0.000 1.431 363 I HN 0.111 nan 8.210 nan 0.000 0.543 364 R N 6.855 127.262 120.500 -0.154 0.000 2.538 364 R HA 0.422 4.762 4.340 -0.000 0.000 0.292 364 R C -2.621 173.622 176.300 -0.095 0.000 1.008 364 R CA -1.876 54.118 56.100 -0.176 0.000 0.896 364 R CB 1.427 31.528 30.300 -0.332 0.000 1.187 364 R HN 0.190 nan 8.270 nan 0.000 0.440 365 P HA -0.119 nan 4.420 nan 0.000 0.266 365 P C -0.260 177.025 177.300 -0.025 0.000 1.180 365 P CA 0.294 63.374 63.100 -0.033 0.000 0.765 365 P CB 0.598 32.287 31.700 -0.019 0.000 0.806 366 A N 4.103 126.926 122.820 0.006 0.000 3.019 366 A HA 0.159 4.479 4.320 -0.000 0.000 0.262 366 A C 0.649 178.205 177.584 -0.047 0.000 1.509 366 A CA -0.276 51.760 52.037 -0.001 0.000 1.159 366 A CB -1.350 17.690 19.000 0.067 0.000 1.042 366 A HN 0.467 nan 8.150 nan 0.000 0.641 367 I N 1.153 121.710 120.570 -0.021 0.000 2.533 367 I HA -0.010 4.160 4.170 -0.000 0.000 0.284 367 I C 0.493 176.623 176.117 0.021 0.000 1.109 367 I CA -0.243 61.055 61.300 -0.003 0.000 1.412 367 I CB 0.390 38.405 38.000 0.025 0.000 1.396 367 I HN 0.315 nan 8.210 nan 0.000 0.543 368 N N 6.492 125.219 118.700 0.045 0.000 2.415 368 N HA 0.091 4.831 4.740 -0.000 0.000 0.246 368 N C 0.687 176.274 175.510 0.128 0.000 1.078 368 N CA -0.049 53.069 53.050 0.114 0.000 0.942 368 N CB 1.484 40.120 38.487 0.249 0.000 1.140 368 N HN 0.409 nan 8.380 nan 0.000 0.501 369 V N 3.777 123.749 119.914 0.097 0.000 2.307 369 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 369 V C 2.405 178.550 176.094 0.084 0.000 1.045 369 V CA 2.131 64.484 62.300 0.090 0.000 1.024 369 V CB -0.987 30.890 31.823 0.090 0.000 0.651 369 V HN 0.757 nan 8.190 nan 0.000 0.449 370 G N -0.272 108.575 108.800 0.078 0.000 2.469 370 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 370 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 370 G C 1.456 176.391 174.900 0.058 0.000 1.136 370 G CA 1.055 46.190 45.100 0.058 0.000 0.759 370 G HN 0.507 nan 8.290 nan 0.000 0.562 371 L N 0.363 121.642 121.223 0.094 0.000 2.693 371 L HA 0.257 4.597 4.340 -0.000 0.000 0.235 371 L C 0.384 177.300 176.870 0.076 0.000 1.127 371 L CA -0.210 54.668 54.840 0.063 0.000 0.914 371 L CB 0.557 42.654 42.059 0.063 0.000 1.193 371 L HN 0.015 nan 8.230 nan 0.000 0.502 372 S N 0.470 116.235 115.700 0.109 0.000 2.525 372 S HA 0.612 5.082 4.470 -0.000 0.000 0.290 372 S C -0.308 174.329 174.600 0.061 0.000 1.152 372 S CA -0.554 57.704 58.200 0.098 0.000 1.072 372 S CB 2.247 65.515 63.200 0.113 0.000 1.027 372 S HN 0.063 nan 8.310 nan 0.000 0.500 373 V N 0.034 119.976 119.914 0.047 0.000 3.114 373 V HA 0.916 5.036 4.120 -0.000 0.000 0.308 373 V C -0.553 175.560 176.094 0.032 0.000 1.168 373 V CA -0.785 61.536 62.300 0.036 0.000 1.015 373 V CB 1.886 33.724 31.823 0.025 0.000 1.050 373 V HN 0.730 nan 8.190 nan 0.000 0.433 374 S N 2.059 117.776 115.700 0.028 0.000 2.478 374 S HA 0.548 5.018 4.470 -0.000 0.000 0.312 374 S C 0.597 175.208 174.600 0.019 0.000 1.094 374 S CA -0.759 57.454 58.200 0.022 0.000 1.081 374 S CB 1.684 64.896 63.200 0.019 0.000 1.007 374 S HN 0.854 nan 8.310 nan 0.000 0.475 375 R N 3.007 123.518 120.500 0.018 0.000 2.275 375 R HA 0.074 4.414 4.340 -0.000 0.000 0.199 375 R C 1.231 177.541 176.300 0.017 0.000 0.989 375 R CA 0.667 56.778 56.100 0.018 0.000 1.016 375 R CB -0.125 30.186 30.300 0.019 0.000 0.918 375 R HN 0.547 nan 8.270 nan 0.000 0.473 376 V N -0.175 119.748 119.914 0.014 0.000 2.825 376 V HA 0.113 4.233 4.120 -0.000 0.000 0.246 376 V C 1.493 177.595 176.094 0.014 0.000 1.068 376 V CA 1.039 63.347 62.300 0.014 0.000 1.088 376 V CB -0.280 31.547 31.823 0.007 0.000 0.733 376 V HN 0.618 nan 8.190 nan 0.000 0.468 377 G N 1.302 110.110 108.800 0.014 0.000 2.566 377 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.280 377 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.280 377 G C 1.209 176.117 174.900 0.014 0.000 1.225 377 G CA 1.223 46.333 45.100 0.016 0.000 0.966 377 G HN 0.939 nan 8.290 nan 0.000 0.560 378 S N 0.215 115.924 115.700 0.016 0.000 2.419 378 S HA 0.153 4.623 4.470 -0.000 0.000 0.233 378 S C 2.621 177.228 174.600 0.013 0.000 1.016 378 S CA 2.055 60.264 58.200 0.015 0.000 0.974 378 S CB -0.557 62.653 63.200 0.017 0.000 0.786 378 S HN 2.196 nan 8.310 nan 0.000 0.492 379 A N 0.921 123.751 122.820 0.017 0.000 2.186 379 A HA 0.426 4.746 4.320 -0.000 0.000 0.219 379 A C 1.984 179.578 177.584 0.016 0.000 1.159 379 A CA 1.302 53.354 52.037 0.025 0.000 0.680 379 A CB -0.827 18.193 19.000 0.034 0.000 0.787 379 A HN 1.083 nan 8.150 nan 0.000 0.467 380 A N -1.550 121.268 122.820 -0.004 0.000 2.564 380 A HA 0.435 4.755 4.320 -0.000 0.000 0.279 380 A C 0.435 177.995 177.584 -0.040 0.000 1.232 380 A CA -0.149 51.868 52.037 -0.033 0.000 0.950 380 A CB 0.031 19.010 19.000 -0.034 0.000 1.138 380 A HN 0.490 nan 8.150 nan 0.000 0.526 381 Q N 0.268 120.055 119.800 -0.021 0.000 2.312 381 Q HA 0.525 4.865 4.340 -0.000 0.000 0.263 381 Q C -0.949 175.041 176.000 -0.017 0.000 0.995 381 Q CA -0.576 55.218 55.803 -0.016 0.000 0.853 381 Q CB 2.142 30.881 28.738 0.001 0.000 1.300 381 Q HN 0.130 nan 8.270 nan 0.000 0.448 382 V N 4.592 124.494 119.914 -0.019 0.000 2.584 382 V HA -0.153 3.967 4.120 -0.000 0.000 0.303 382 V C 1.452 177.547 176.094 0.003 0.000 1.035 382 V CA 0.805 63.097 62.300 -0.013 0.000 1.172 382 V CB 0.623 32.444 31.823 -0.003 0.000 0.896 382 V HN 0.868 nan 8.190 nan 0.000 0.486 383 K N 5.597 125.999 120.400 0.004 0.000 2.089 383 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 383 K C 2.002 178.613 176.600 0.017 0.000 1.048 383 K CA 2.221 58.514 56.287 0.011 0.000 0.926 383 K CB -0.351 32.155 32.500 0.010 0.000 0.714 383 K HN 0.834 nan 8.250 nan 0.000 0.448 384 A N 0.399 123.229 122.820 0.016 0.000 1.908 384 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 384 A C 2.120 179.724 177.584 0.033 0.000 1.181 384 A CA 1.726 53.776 52.037 0.022 0.000 0.627 384 A CB -0.688 18.322 19.000 0.016 0.000 0.818 384 A HN 0.386 nan 8.150 nan 0.000 0.445 385 L N -0.053 121.188 121.223 0.030 0.000 2.109 385 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 385 L C 2.345 179.236 176.870 0.035 0.000 1.086 385 L CA 2.441 57.303 54.840 0.037 0.000 0.760 385 L CB -0.467 41.611 42.059 0.031 0.000 0.910 385 L HN 0.492 nan 8.230 nan 0.000 0.437 386 K N -0.889 119.527 120.400 0.027 0.000 2.152 386 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 386 K C 1.975 178.592 176.600 0.029 0.000 1.048 386 K CA 1.851 58.153 56.287 0.025 0.000 0.933 386 K CB -0.072 32.440 32.500 0.020 0.000 0.721 386 K HN 0.505 nan 8.250 nan 0.000 0.447 387 Q N 0.185 120.007 119.800 0.036 0.000 2.046 387 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 387 Q C 2.118 178.151 176.000 0.055 0.000 0.975 387 Q CA 1.837 57.667 55.803 0.044 0.000 0.836 387 Q CB 0.033 28.801 28.738 0.050 0.000 0.896 387 Q HN 0.368 nan 8.270 nan 0.000 0.428 388 V N -2.510 117.447 119.914 0.072 0.000 3.041 388 V HA 0.160 4.280 4.120 -0.000 0.000 0.260 388 V C 1.077 177.187 176.094 0.026 0.000 1.105 388 V CA 0.974 63.323 62.300 0.081 0.000 1.125 388 V CB -0.438 31.473 31.823 0.147 0.000 0.730 388 V HN 0.190 nan 8.190 nan 0.000 0.479 389 A N 0.844 123.679 122.820 0.024 0.000 3.232 389 A HA 0.727 5.047 4.320 -0.000 0.000 0.312 389 A C 1.468 179.058 177.584 0.010 0.000 1.185 389 A CA 0.275 52.317 52.037 0.008 0.000 1.011 389 A CB -0.300 18.712 19.000 0.020 0.000 1.096 389 A HN 0.454 nan 8.150 nan 0.000 0.543 390 G N 1.311 110.111 108.800 -0.001 0.000 2.806 390 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 390 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 390 G C 1.037 175.949 174.900 0.020 0.000 1.331 390 G CA 1.486 46.590 45.100 0.007 0.000 0.807 390 G HN 1.251 nan 8.290 nan 0.000 0.644 391 S N -0.196 115.520 115.700 0.026 0.000 2.499 391 S HA 0.385 4.855 4.470 -0.000 0.000 0.238 391 S C 1.080 175.736 174.600 0.093 0.000 1.205 391 S CA -0.406 57.828 58.200 0.058 0.000 1.203 391 S CB 1.037 64.277 63.200 0.066 0.000 0.954 391 S HN 0.232 nan 8.310 nan 0.000 0.484 392 L N 1.976 123.237 121.223 0.062 0.000 2.083 392 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 392 L C 2.254 179.218 176.870 0.157 0.000 1.083 392 L CA 1.881 56.770 54.840 0.082 0.000 0.752 392 L CB -0.488 41.586 42.059 0.025 0.000 0.899 392 L HN 0.494 nan 8.230 nan 0.000 0.433 393 K N -0.725 119.742 120.400 0.112 0.000 2.025 393 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 393 K C 2.111 178.781 176.600 0.117 0.000 1.049 393 K CA 1.689 58.039 56.287 0.106 0.000 0.933 393 K CB -0.213 32.331 32.500 0.073 0.000 0.714 393 K HN 0.382 nan 8.250 nan 0.000 0.438 394 L N 0.273 121.562 121.223 0.110 0.000 2.131 394 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 394 L C 2.365 179.304 176.870 0.115 0.000 1.092 394 L CA 0.900 55.795 54.840 0.092 0.000 0.759 394 L CB -0.428 41.676 42.059 0.076 0.000 0.903 394 L HN 0.208 nan 8.230 nan 0.000 0.435 395 F N 0.685 120.656 119.950 0.036 0.000 2.075 395 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 395 F C 2.203 178.058 175.800 0.092 0.000 1.113 395 F CA 1.615 59.643 58.000 0.045 0.000 1.218 395 F CB -0.159 38.852 39.000 0.018 0.000 0.984 395 F HN -0.151 nan 8.300 nan 0.000 0.472 396 L N -0.005 121.377 121.223 0.266 0.000 2.083 396 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 396 L C 2.770 179.705 176.870 0.107 0.000 1.083 396 L CA 1.178 56.157 54.840 0.231 0.000 0.752 396 L CB -0.999 41.215 42.059 0.259 0.000 0.899 396 L HN 0.288 nan 8.230 nan 0.000 0.433 397 A N -1.058 121.798 122.820 0.059 0.000 1.940 397 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 397 A C 2.265 179.822 177.584 -0.045 0.000 1.176 397 A CA 1.469 53.514 52.037 0.014 0.000 0.631 397 A CB -0.363 18.651 19.000 0.023 0.000 0.814 397 A HN 0.400 nan 8.150 nan 0.000 0.446 398 Q N -1.849 117.897 119.800 -0.090 0.000 2.137 398 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 398 Q C 1.963 177.855 176.000 -0.179 0.000 0.960 398 Q CA 1.556 57.273 55.803 -0.142 0.000 0.847 398 Q CB -0.462 28.175 28.738 -0.168 0.000 0.915 398 Q HN 0.870 nan 8.270 nan 0.000 0.448 399 Y N 1.638 121.704 120.300 -0.390 0.000 2.128 399 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 399 Y C 2.260 178.072 175.900 -0.146 0.000 1.154 399 Y CA 2.038 59.928 58.100 -0.350 0.000 1.149 399 Y CB -0.357 37.868 38.460 -0.391 0.000 0.976 399 Y HN -0.043 nan 8.280 nan 0.000 0.505 400 R N 0.225 120.451 120.500 -0.457 0.000 2.189 400 R HA -0.163 4.177 4.340 -0.000 0.000 0.223 400 R C 2.165 178.309 176.300 -0.260 0.000 1.092 400 R CA 1.343 57.157 56.100 -0.477 0.000 0.989 400 R CB -0.194 29.959 30.300 -0.245 0.000 0.876 400 R HN 0.593 nan 8.270 nan 0.000 0.457 401 E N -0.340 119.754 120.200 -0.175 0.000 2.046 401 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 401 E C 1.607 178.173 176.600 -0.056 0.000 0.982 401 E CA 1.612 57.953 56.400 -0.099 0.000 0.800 401 E CB -0.241 29.404 29.700 -0.093 0.000 0.756 401 E HN 0.107 nan 8.360 nan 0.000 0.449 402 V N 1.280 121.152 119.914 -0.070 0.000 2.453 402 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 402 V C 2.515 178.633 176.094 0.039 0.000 1.048 402 V CA 1.569 63.885 62.300 0.026 0.000 1.049 402 V CB -0.982 30.851 31.823 0.017 0.000 0.672 402 V HN 0.497 nan 8.190 nan 0.000 0.457 403 A N 0.290 123.048 122.820 -0.103 0.000 1.908 403 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 403 A C 2.365 179.912 177.584 -0.061 0.000 1.181 403 A CA 2.233 54.195 52.037 -0.125 0.000 0.627 403 A CB -0.666 18.117 19.000 -0.361 0.000 0.818 403 A HN 0.580 nan 8.150 nan 0.000 0.445 404 A N -1.967 120.826 122.820 -0.045 0.000 2.016 404 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 404 A C 1.926 179.541 177.584 0.052 0.000 1.162 404 A CA 1.230 53.263 52.037 -0.007 0.000 0.662 404 A CB -0.517 18.479 19.000 -0.008 0.000 0.812 404 A HN 0.663 nan 8.150 nan 0.000 0.450 405 F N 0.807 120.722 119.950 -0.058 0.000 2.293 405 F HA 0.213 4.740 4.527 -0.000 0.000 0.297 405 F C 2.146 177.927 175.800 -0.030 0.000 1.089 405 F CA 0.848 58.824 58.000 -0.040 0.000 1.377 405 F CB -0.143 38.833 39.000 -0.040 0.000 1.051 405 F HN 0.186 nan 8.300 nan 0.000 0.511 406 A N 0.523 123.285 122.820 -0.096 0.000 2.239 406 A HA 0.025 4.345 4.320 -0.000 0.000 0.209 406 A C 1.263 178.744 177.584 -0.172 0.000 1.171 406 A CA -0.026 51.914 52.037 -0.161 0.000 0.768 406 A CB -0.663 18.332 19.000 -0.009 0.000 0.790 406 A HN 0.389 nan 8.150 nan 0.000 0.478 411 D N 1.170 121.553 120.400 -0.029 0.000 2.313 411 D HA 0.606 5.246 4.640 -0.000 0.000 0.247 411 D C 0.332 176.631 176.300 -0.002 0.000 1.094 411 D CA -0.311 53.679 54.000 -0.016 0.000 0.925 411 D CB 0.733 41.527 40.800 -0.010 0.000 1.188 411 D HN 0.428 nan 8.370 nan 0.000 0.430 412 L N 0.086 121.313 121.223 0.008 0.000 2.376 412 L HA 0.415 4.755 4.340 -0.000 0.000 0.267 412 L C 0.631 177.515 176.870 0.024 0.000 1.035 412 L CA -1.205 53.650 54.840 0.025 0.000 0.800 412 L CB 0.805 42.886 42.059 0.036 0.000 1.290 412 L HN 0.511 nan 8.230 nan 0.000 0.462 413 D N -0.127 120.292 120.400 0.031 0.000 2.487 413 D HA 0.379 5.019 4.640 -0.000 0.000 0.262 413 D C 0.728 177.043 176.300 0.025 0.000 1.130 413 D CA -0.183 53.832 54.000 0.025 0.000 1.038 413 D CB 1.080 41.895 40.800 0.025 0.000 1.142 413 D HN 0.525 nan 8.370 nan 0.000 0.575 414 A N 0.733 123.564 122.820 0.019 0.000 1.870 414 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 414 A C 2.118 179.714 177.584 0.020 0.000 1.286 414 A CA 3.871 55.917 52.037 0.015 0.000 0.682 414 A CB -1.550 17.456 19.000 0.010 0.000 0.844 414 A HN 0.777 nan 8.150 nan 0.000 0.460 415 S N -2.804 112.911 115.700 0.024 0.000 2.489 415 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 415 S C 1.685 176.315 174.600 0.049 0.000 0.995 415 S CA 1.689 59.909 58.200 0.032 0.000 0.934 415 S CB -0.549 62.670 63.200 0.031 0.000 0.771 415 S HN 0.535 nan 8.310 nan 0.000 0.522 416 T N 0.612 115.195 114.554 0.048 0.000 3.067 416 T HA 0.226 4.576 4.350 -0.000 0.000 0.257 416 T C 1.565 176.304 174.700 0.065 0.000 1.105 416 T CA 0.686 62.822 62.100 0.060 0.000 1.104 416 T CB -0.198 68.706 68.868 0.061 0.000 0.925 416 T HN 0.498 nan 8.240 nan 0.000 0.498 417 K N 0.154 120.584 120.400 0.050 0.000 2.137 417 K HA 0.110 4.430 4.320 -0.000 0.000 0.202 417 K C 2.324 178.951 176.600 0.045 0.000 1.052 417 K CA 0.629 56.944 56.287 0.046 0.000 0.961 417 K CB 0.123 32.641 32.500 0.029 0.000 0.741 417 K HN 0.326 nan 8.250 nan 0.000 0.452 418 Q N -0.518 119.306 119.800 0.039 0.000 2.167 418 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 418 Q C 1.841 177.881 176.000 0.066 0.000 0.970 418 Q CA 1.392 57.214 55.803 0.032 0.000 0.855 418 Q CB 0.080 28.829 28.738 0.018 0.000 0.911 418 Q HN 0.210 nan 8.270 nan 0.000 0.438 419 T N 0.459 115.075 114.554 0.103 0.000 2.915 419 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 419 T C 1.570 176.367 174.700 0.162 0.000 1.071 419 T CA 0.557 62.760 62.100 0.171 0.000 1.132 419 T CB 0.045 68.989 68.868 0.126 0.000 0.878 419 T HN 0.066 nan 8.240 nan 0.000 0.479 420 L N 0.240 121.548 121.223 0.142 0.000 2.341 420 L HA 0.205 4.545 4.340 -0.000 0.000 0.214 420 L C 2.198 179.121 176.870 0.088 0.000 1.115 420 L CA 0.701 55.664 54.840 0.204 0.000 0.820 420 L CB 0.068 42.233 42.059 0.177 0.000 0.944 420 L HN 0.101 nan 8.230 nan 0.000 0.452 421 V N -0.928 119.005 119.914 0.031 0.000 2.379 421 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 421 V C 2.574 178.620 176.094 -0.080 0.000 1.035 421 V CA 1.433 63.722 62.300 -0.018 0.000 1.035 421 V CB -0.499 31.314 31.823 -0.016 0.000 0.673 421 V HN 0.370 nan 8.190 nan 0.000 0.457 422 R N 0.171 120.628 120.500 -0.071 0.000 2.115 422 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 422 R C 2.268 178.465 176.300 -0.172 0.000 1.100 422 R CA 1.332 57.360 56.100 -0.120 0.000 0.980 422 R CB -0.516 29.708 30.300 -0.128 0.000 0.875 422 R HN 0.559 nan 8.270 nan 0.000 0.445 423 G N 0.381 109.010 108.800 -0.286 0.000 2.414 423 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.215 423 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.215 423 G C 1.216 175.604 174.900 -0.854 0.000 1.188 423 G CA 0.614 45.138 45.100 -0.959 0.000 0.783 423 G HN 0.388 nan 8.290 nan 0.000 0.537 424 E N -0.109 119.765 120.200 -0.544 0.000 2.130 424 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 424 E C 2.677 179.232 176.600 -0.076 0.000 0.998 424 E CA 0.850 57.197 56.400 -0.089 0.000 0.806 424 E CB 0.014 29.734 29.700 0.034 0.000 0.738 424 E HN 0.333 nan 8.360 nan 0.000 0.459 425 R N -0.263 120.163 120.500 -0.122 0.000 2.057 425 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 425 R C 2.453 178.697 176.300 -0.093 0.000 1.136 425 R CA 0.893 56.932 56.100 -0.103 0.000 0.952 425 R CB -0.186 30.036 30.300 -0.129 0.000 0.848 425 R HN 0.163 nan 8.270 nan 0.000 0.430 426 L N -0.007 121.149 121.223 -0.113 0.000 2.127 426 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 426 L C 2.094 178.954 176.870 -0.017 0.000 1.089 426 L CA 1.356 56.152 54.840 -0.072 0.000 0.757 426 L CB -0.428 41.583 42.059 -0.080 0.000 0.899 426 L HN 0.296 nan 8.230 nan 0.000 0.434 427 T N -1.728 112.826 114.554 -0.002 0.000 2.821 427 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 427 T C 1.829 176.550 174.700 0.035 0.000 1.046 427 T CA 1.141 63.275 62.100 0.056 0.000 1.139 427 T CB -0.092 68.857 68.868 0.136 0.000 0.871 427 T HN 0.189 nan 8.240 nan 0.000 0.454 428 Q N 0.481 120.290 119.800 0.016 0.000 2.224 428 Q HA 0.084 4.423 4.340 -0.000 0.000 0.203 428 Q C 1.909 177.916 176.000 0.012 0.000 0.970 428 Q CA 0.772 56.582 55.803 0.012 0.000 0.865 428 Q CB -0.448 28.292 28.738 0.003 0.000 0.922 428 Q HN 0.404 nan 8.270 nan 0.000 0.445 429 L N -0.714 120.512 121.223 0.004 0.000 2.395 429 L HA 0.098 4.438 4.340 -0.000 0.000 0.218 429 L C 1.165 178.052 176.870 0.028 0.000 1.130 429 L CA 1.152 56.002 54.840 0.017 0.000 0.826 429 L CB 0.088 42.145 42.059 -0.004 0.000 0.941 429 L HN 0.267 nan 8.230 nan 0.000 0.451 430 L N -0.911 120.326 121.223 0.023 0.000 2.592 430 L HA 0.092 4.432 4.340 -0.000 0.000 0.227 430 L C 0.748 177.627 176.870 0.014 0.000 1.127 430 L CA -0.098 54.757 54.840 0.025 0.000 0.884 430 L CB -0.327 41.752 42.059 0.032 0.000 1.065 430 L HN 0.086 nan 8.230 nan 0.000 0.457 431 K N 1.203 121.608 120.400 0.009 0.000 2.258 431 K HA 0.281 4.600 4.320 -0.000 0.000 0.264 431 K C -0.191 176.406 176.600 -0.006 0.000 1.007 431 K CA 0.149 56.430 56.287 -0.010 0.000 0.941 431 K CB 0.803 33.294 32.500 -0.015 0.000 0.966 431 K HN -0.029 nan 8.250 nan 0.000 0.480 432 Q N 1.419 121.204 119.800 -0.024 0.000 2.403 432 Q HA 0.144 4.484 4.340 -0.000 0.000 0.267 432 Q C -1.438 174.540 176.000 -0.036 0.000 0.991 432 Q CA -0.680 55.113 55.803 -0.017 0.000 0.906 432 Q CB 1.485 30.216 28.738 -0.011 0.000 1.422 432 Q HN 0.542 nan 8.270 nan 0.000 0.400 433 N N 2.152 120.841 118.700 -0.019 0.000 2.482 433 N HA 0.032 4.772 4.740 -0.000 0.000 0.260 433 N C -0.520 174.963 175.510 -0.045 0.000 1.236 433 N CA 0.075 53.113 53.050 -0.019 0.000 0.938 433 N CB 0.856 39.355 38.487 0.021 0.000 1.128 433 N HN 0.578 nan 8.380 nan 0.000 0.448 434 Q N 0.472 120.221 119.800 -0.086 0.000 2.395 434 Q HA -0.066 4.274 4.340 -0.000 0.000 0.271 434 Q C -0.455 175.464 176.000 -0.135 0.000 1.026 434 Q CA 0.164 55.803 55.803 -0.273 0.000 0.900 434 Q CB 0.161 28.631 28.738 -0.448 0.000 1.266 434 Q HN 0.563 nan 8.270 nan 0.000 0.430 435 Y N 0.027 120.308 120.300 -0.030 0.000 4.079 435 Y HA -0.264 4.286 4.550 -0.000 0.000 0.223 435 Y C -0.085 175.822 175.900 0.012 0.000 1.155 435 Y CA 0.795 58.872 58.100 -0.039 0.000 1.805 435 Y CB -2.187 36.264 38.460 -0.016 0.000 1.571 435 Y HN 0.391 nan 8.280 nan 0.000 0.654 436 S N -0.013 115.737 115.700 0.083 0.000 2.474 436 S HA 0.272 4.742 4.470 -0.000 0.000 0.224 436 S C -2.445 172.175 174.600 0.033 0.000 1.209 436 S CA -0.839 57.401 58.200 0.068 0.000 1.212 436 S CB 0.963 64.198 63.200 0.058 0.000 1.137 436 S HN 0.109 nan 8.310 nan 0.000 0.446 437 P HA 0.320 nan 4.420 nan 0.000 0.280 437 P C -0.664 176.643 177.300 0.013 0.000 1.244 437 P CA -0.354 62.757 63.100 0.019 0.000 0.784 437 P CB 0.789 32.503 31.700 0.023 0.000 0.913 438 L N 2.054 123.286 121.223 0.015 0.000 2.322 438 L HA 0.595 4.935 4.340 -0.000 0.000 0.279 438 L C 0.963 177.840 176.870 0.012 0.000 1.036 438 L CA -1.174 53.670 54.840 0.007 0.000 0.807 438 L CB 1.373 43.438 42.059 0.011 0.000 1.226 438 L HN 0.387 nan 8.230 nan 0.000 0.433 439 A N 1.626 124.440 122.820 -0.010 0.000 2.425 439 A HA 0.240 4.560 4.320 -0.000 0.000 0.242 439 A C 1.179 178.779 177.584 0.028 0.000 1.077 439 A CA -0.161 51.877 52.037 0.001 0.000 0.781 439 A CB 0.281 19.254 19.000 -0.045 0.000 1.020 439 A HN 0.875 nan 8.150 nan 0.000 0.494 440 T N 0.853 115.446 114.554 0.066 0.000 2.881 440 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 440 T C 1.630 176.347 174.700 0.029 0.000 1.068 440 T CA 1.575 63.710 62.100 0.058 0.000 1.131 440 T CB -0.146 68.768 68.868 0.078 0.000 0.871 440 T HN 0.882 nan 8.240 nan 0.000 0.479 441 E N 1.671 121.879 120.200 0.014 0.000 2.418 441 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 441 E C 1.289 177.864 176.600 -0.041 0.000 1.026 441 E CA 0.958 57.349 56.400 -0.015 0.000 0.862 441 E CB -0.110 29.575 29.700 -0.026 0.000 0.799 441 E HN 0.577 nan 8.360 nan 0.000 0.518 442 E N 0.393 120.573 120.200 -0.032 0.000 2.307 442 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 442 E C 2.047 178.646 176.600 -0.001 0.000 0.975 442 E CA 0.068 56.440 56.400 -0.046 0.000 0.878 442 E CB 0.203 29.873 29.700 -0.050 0.000 0.845 442 E HN 0.298 nan 8.360 nan 0.000 0.488 443 Q N 0.478 120.291 119.800 0.021 0.000 2.079 443 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 443 Q C 2.318 178.357 176.000 0.065 0.000 0.974 443 Q CA 1.136 56.967 55.803 0.046 0.000 0.840 443 Q CB 0.093 28.857 28.738 0.044 0.000 0.898 443 Q HN 0.104 nan 8.270 nan 0.000 0.430 444 V N 1.407 121.353 119.914 0.053 0.000 2.287 444 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 444 V C -0.924 175.242 176.094 0.121 0.000 1.053 444 V CA 1.948 64.291 62.300 0.072 0.000 1.027 444 V CB -1.315 30.533 31.823 0.042 0.000 0.646 444 V HN 0.281 nan 8.190 nan 0.000 0.447 445 P HA -0.062 nan 4.420 nan 0.000 0.221 445 P C 1.855 179.390 177.300 0.392 0.000 1.150 445 P CA 1.145 64.365 63.100 0.199 0.000 0.800 445 P CB 0.025 31.729 31.700 0.007 0.000 0.787 446 L N -1.181 120.211 121.223 0.282 0.000 2.027 446 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 446 L C 2.129 179.112 176.870 0.188 0.000 1.074 446 L CA 1.145 56.159 54.840 0.291 0.000 0.745 446 L CB -0.709 41.474 42.059 0.205 0.000 0.898 446 L HN -0.080 nan 8.230 nan 0.000 0.433 447 I N -1.120 119.536 120.570 0.143 0.000 2.315 447 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 447 I C 2.408 178.575 176.117 0.084 0.000 1.117 447 I CA 1.480 62.831 61.300 0.084 0.000 1.404 447 I CB -1.228 36.812 38.000 0.067 0.000 1.071 447 I HN 0.247 nan 8.210 nan 0.000 0.419 448 Y N 1.979 122.304 120.300 0.042 0.000 2.165 448 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 448 Y C 2.602 178.506 175.900 0.006 0.000 1.155 448 Y CA 1.950 60.062 58.100 0.021 0.000 1.164 448 Y CB -0.148 38.324 38.460 0.021 0.000 0.978 448 Y HN 0.134 nan 8.280 nan 0.000 0.513 449 A N -0.114 122.783 122.820 0.129 0.000 1.845 449 A HA -0.110 4.209 4.320 -0.000 0.000 0.215 449 A C 2.507 180.067 177.584 -0.040 0.000 1.195 449 A CA 1.842 53.884 52.037 0.009 0.000 0.616 449 A CB -1.709 17.276 19.000 -0.025 0.000 0.832 449 A HN 0.556 nan 8.150 nan 0.000 0.443 450 G N -0.526 108.228 108.800 -0.078 0.000 2.480 450 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 450 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 450 G C 1.556 176.352 174.900 -0.173 0.000 1.200 450 G CA 1.418 46.438 45.100 -0.134 0.000 0.782 450 G HN 0.321 nan 8.290 nan 0.000 0.554 451 V N 2.054 121.859 119.914 -0.183 0.000 2.231 451 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 451 V C 2.166 178.101 176.094 -0.264 0.000 1.054 451 V CA 2.016 64.166 62.300 -0.250 0.000 1.015 451 V CB -0.456 31.234 31.823 -0.221 0.000 0.638 451 V HN 0.433 nan 8.190 nan 0.000 0.444 452 N N 0.212 118.763 118.700 -0.249 0.000 2.434 452 N HA 0.090 4.830 4.740 -0.000 0.000 0.196 452 N C 1.354 176.701 175.510 -0.272 0.000 1.183 452 N CA 0.960 53.869 53.050 -0.236 0.000 0.849 452 N CB 0.583 38.929 38.487 -0.235 0.000 0.992 452 N HN 0.650 nan 8.380 nan 0.000 0.460 453 G N 1.038 109.710 108.800 -0.213 0.000 2.176 453 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.252 453 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.252 453 G C 0.397 175.136 174.900 -0.268 0.000 1.024 453 G CA 0.373 45.332 45.100 -0.235 0.000 0.755 453 G HN 0.501 nan 8.290 nan 0.000 0.507 454 H N -0.694 118.269 119.070 -0.179 0.000 2.524 454 H HA 0.259 4.815 4.556 -0.000 0.000 0.282 454 H C 2.600 177.793 175.328 -0.225 0.000 1.016 454 H CA 1.303 57.259 56.048 -0.153 0.000 1.270 454 H CB 0.085 29.783 29.762 -0.106 0.000 1.394 454 H HN 0.487 nan 8.280 nan 0.000 0.568 455 L N -0.139 120.967 121.223 -0.196 0.000 2.509 455 L HA -0.031 4.309 4.340 -0.000 0.000 0.222 455 L C 1.253 177.995 176.870 -0.213 0.000 1.123 455 L CA 0.252 54.898 54.840 -0.323 0.000 0.856 455 L CB 0.039 41.868 42.059 -0.383 0.000 0.985 455 L HN 0.167 nan 8.230 nan 0.000 0.456 456 D N 1.030 121.327 120.400 -0.171 0.000 2.190 456 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 456 D C 2.074 178.310 176.300 -0.107 0.000 0.992 456 D CA 1.506 55.425 54.000 -0.135 0.000 0.854 456 D CB -0.110 40.609 40.800 -0.134 0.000 0.936 456 D HN 0.316 nan 8.370 nan 0.000 0.462 457 G N -0.659 108.079 108.800 -0.104 0.000 2.985 457 G HA2 0.123 4.083 3.960 -0.000 0.000 0.209 457 G HA3 0.123 4.083 3.960 -0.000 0.000 0.209 457 G C 0.562 175.423 174.900 -0.066 0.000 1.165 457 G CA -0.200 44.855 45.100 -0.075 0.000 0.776 457 G HN 0.188 nan 8.290 nan 0.000 0.541 458 I N 0.684 121.201 120.570 -0.088 0.000 2.353 458 I HA 0.198 4.368 4.170 -0.000 0.000 0.293 458 I C 0.354 176.439 176.117 -0.053 0.000 0.992 458 I CA -0.754 60.505 61.300 -0.068 0.000 1.268 458 I CB 1.892 39.830 38.000 -0.104 0.000 1.387 458 I HN 0.008 nan 8.210 nan 0.000 0.478 459 E N 3.965 124.152 120.200 -0.022 0.000 2.502 459 E HA -0.092 4.258 4.350 -0.000 0.000 0.261 459 E C 0.756 177.350 176.600 -0.010 0.000 0.974 459 E CA -0.166 56.227 56.400 -0.011 0.000 0.936 459 E CB 0.785 30.487 29.700 0.002 0.000 0.926 459 E HN 0.507 nan 8.360 nan 0.000 0.459 460 L N 3.936 125.153 121.223 -0.009 0.000 2.191 460 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 460 L C 2.038 178.914 176.870 0.009 0.000 1.103 460 L CA 1.991 56.827 54.840 -0.006 0.000 0.769 460 L CB -0.256 41.803 42.059 -0.000 0.000 0.908 460 L HN 0.647 nan 8.230 nan 0.000 0.438 461 S N -2.089 113.620 115.700 0.016 0.000 2.607 461 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 461 S C 1.830 176.452 174.600 0.036 0.000 0.969 461 S CA 0.177 58.391 58.200 0.024 0.000 0.927 461 S CB -0.231 62.981 63.200 0.021 0.000 0.772 461 S HN 0.476 nan 8.310 nan 0.000 0.533 462 R N -0.233 120.293 120.500 0.045 0.000 2.419 462 R HA 0.422 4.762 4.340 -0.000 0.000 0.235 462 R C 1.201 177.573 176.300 0.120 0.000 0.899 462 R CA -0.131 56.015 56.100 0.077 0.000 1.048 462 R CB 0.091 30.438 30.300 0.079 0.000 1.182 462 R HN 0.312 nan 8.270 nan 0.000 0.544 463 I N 0.623 121.243 120.570 0.083 0.000 2.530 463 I HA -0.158 4.012 4.170 -0.000 0.000 0.257 463 I C 2.142 178.353 176.117 0.157 0.000 1.179 463 I CA 1.525 62.886 61.300 0.101 0.000 1.440 463 I CB -1.188 36.816 38.000 0.007 0.000 1.087 463 I HN 0.255 nan 8.210 nan 0.000 0.440 464 G N 2.008 110.875 108.800 0.112 0.000 2.433 464 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 464 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 464 G C 1.468 176.446 174.900 0.129 0.000 1.186 464 G CA 0.979 46.140 45.100 0.102 0.000 0.779 464 G HN 0.621 nan 8.290 nan 0.000 0.543 465 E N -0.673 119.608 120.200 0.135 0.000 2.274 465 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 465 E C 2.044 178.758 176.600 0.189 0.000 0.996 465 E CA 0.510 56.990 56.400 0.134 0.000 0.840 465 E CB -0.435 29.331 29.700 0.110 0.000 0.772 465 E HN 0.396 nan 8.360 nan 0.000 0.491 466 F N 2.047 122.065 119.950 0.113 0.000 2.075 466 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 466 F C 2.244 178.140 175.800 0.159 0.000 1.113 466 F CA 2.081 60.184 58.000 0.171 0.000 1.218 466 F CB -0.246 38.831 39.000 0.127 0.000 0.984 466 F HN 0.049 nan 8.300 nan 0.000 0.472 467 E N 0.193 120.613 120.200 0.367 0.000 2.048 467 E HA -0.290 4.060 4.350 -0.000 0.000 0.202 467 E C 2.110 178.738 176.600 0.046 0.000 1.021 467 E CA 2.524 59.063 56.400 0.231 0.000 0.825 467 E CB -0.321 29.494 29.700 0.192 0.000 0.756 467 E HN 0.514 nan 8.360 nan 0.000 0.454 468 S N -0.695 115.030 115.700 0.041 0.000 2.481 468 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 468 S C 1.978 176.560 174.600 -0.031 0.000 0.996 468 S CA 0.849 59.051 58.200 0.004 0.000 0.942 468 S CB 0.316 63.533 63.200 0.028 0.000 0.768 468 S HN 0.093 nan 8.310 nan 0.000 0.520 469 S N 0.997 116.668 115.700 -0.049 0.000 2.427 469 S HA 0.250 4.720 4.470 -0.000 0.000 0.224 469 S C 1.232 175.637 174.600 -0.325 0.000 1.047 469 S CA 0.072 58.260 58.200 -0.020 0.000 0.953 469 S CB -0.405 62.922 63.200 0.213 0.000 0.824 469 S HN 0.526 nan 8.310 nan 0.000 0.502 470 F N 2.731 122.112 119.950 -0.949 0.000 2.293 470 F HA 0.151 4.678 4.527 -0.000 0.000 0.300 470 F C 1.568 177.026 175.800 -0.570 0.000 1.086 470 F CA 0.677 57.849 58.000 -1.380 0.000 1.375 470 F CB -0.454 37.721 39.000 -1.375 0.000 1.045 470 F HN 0.090 nan 8.300 nan 0.000 0.516 471 L N -1.420 119.557 121.223 -0.410 0.000 2.072 471 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 471 L C 2.630 179.352 176.870 -0.246 0.000 1.079 471 L CA 1.150 55.787 54.840 -0.337 0.000 0.752 471 L CB -1.091 40.859 42.059 -0.183 0.000 0.906 471 L HN -0.008 nan 8.230 nan 0.000 0.436 472 S N -0.715 114.890 115.700 -0.158 0.000 2.359 472 S HA -0.291 4.179 4.470 -0.000 0.000 0.223 472 S C 1.935 176.492 174.600 -0.072 0.000 1.039 472 S CA 1.820 59.970 58.200 -0.083 0.000 1.042 472 S CB -0.446 62.745 63.200 -0.015 0.000 0.915 472 S HN 0.421 nan 8.310 nan 0.000 0.439 473 Y N 1.842 122.032 120.300 -0.183 0.000 2.114 473 Y HA -0.182 4.368 4.550 -0.000 0.000 0.282 473 Y C 1.930 177.749 175.900 -0.136 0.000 1.165 473 Y CA 1.649 59.687 58.100 -0.104 0.000 1.148 473 Y CB -0.476 37.952 38.460 -0.053 0.000 0.972 473 Y HN 0.198 nan 8.280 nan 0.000 0.504 474 L N -0.035 121.016 121.223 -0.287 0.000 2.056 474 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 474 L C 2.456 179.171 176.870 -0.259 0.000 1.078 474 L CA 1.682 56.327 54.840 -0.325 0.000 0.749 474 L CB -0.516 41.287 42.059 -0.427 0.000 0.901 474 L HN 0.101 nan 8.230 nan 0.000 0.433 475 K N -0.581 119.687 120.400 -0.221 0.000 2.152 475 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 475 K C 2.217 178.719 176.600 -0.163 0.000 1.048 475 K CA 1.505 57.693 56.287 -0.166 0.000 0.933 475 K CB -0.051 32.369 32.500 -0.132 0.000 0.721 475 K HN 0.220 nan 8.250 nan 0.000 0.447 476 S N 0.721 116.303 115.700 -0.195 0.000 2.315 476 S HA -0.027 4.442 4.470 -0.000 0.000 0.211 476 S C 1.516 175.965 174.600 -0.252 0.000 1.029 476 S CA 1.131 59.218 58.200 -0.188 0.000 0.956 476 S CB -0.192 62.915 63.200 -0.155 0.000 0.918 476 S HN 0.279 nan 8.310 nan 0.000 0.470 477 N N 0.804 119.255 118.700 -0.415 0.000 2.244 477 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 477 N C 0.483 175.726 175.510 -0.444 0.000 1.047 477 N CA 0.914 53.679 53.050 -0.476 0.000 0.870 477 N CB -0.432 37.623 38.487 -0.721 0.000 1.041 477 N HN 0.340 nan 8.380 nan 0.000 0.448 478 H N 1.129 119.996 119.070 -0.339 0.000 2.638 478 H HA 0.172 4.728 4.556 -0.000 0.000 0.232 478 H C 0.488 175.706 175.328 -0.184 0.000 1.756 478 H CA -0.080 55.846 56.048 -0.203 0.000 1.234 478 H CB -0.419 29.252 29.762 -0.152 0.000 1.616 478 H HN 0.371 nan 8.280 nan 0.000 0.510 479 N N 1.088 119.724 118.700 -0.107 0.000 2.300 479 N HA -0.110 4.630 4.740 -0.000 0.000 0.179 479 N C 0.905 176.374 175.510 -0.068 0.000 1.016 479 N CA 0.426 53.417 53.050 -0.099 0.000 0.876 479 N CB 0.550 38.970 38.487 -0.111 0.000 0.979 479 N HN 0.505 nan 8.380 nan 0.000 0.432 480 E N 0.833 121.001 120.200 -0.054 0.000 2.204 480 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 480 E C 1.866 178.450 176.600 -0.027 0.000 0.990 480 E CA 0.415 56.793 56.400 -0.037 0.000 0.821 480 E CB -0.028 29.655 29.700 -0.030 0.000 0.750 480 E HN 0.212 nan 8.360 nan 0.000 0.477 481 L N 0.871 122.084 121.223 -0.016 0.000 2.005 481 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 481 L C 2.061 178.899 176.870 -0.054 0.000 1.072 481 L CA 1.651 56.473 54.840 -0.029 0.000 0.744 481 L CB -0.825 41.217 42.059 -0.027 0.000 0.895 481 L HN 0.250 nan 8.230 nan 0.000 0.433 482 L N -1.042 120.140 121.223 -0.069 0.000 2.079 482 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 482 L C 2.305 179.142 176.870 -0.055 0.000 1.081 482 L CA 1.562 56.355 54.840 -0.077 0.000 0.752 482 L CB -0.984 41.015 42.059 -0.100 0.000 0.896 482 L HN 0.268 nan 8.230 nan 0.000 0.433 483 T N -1.237 113.288 114.554 -0.048 0.000 2.777 483 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 483 T C 1.820 176.505 174.700 -0.025 0.000 1.040 483 T CA 0.939 63.018 62.100 -0.036 0.000 1.141 483 T CB -0.099 68.748 68.868 -0.035 0.000 0.868 483 T HN 0.279 nan 8.240 nan 0.000 0.444 484 E N 0.799 120.983 120.200 -0.026 0.000 2.058 484 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 484 E C 2.274 178.864 176.600 -0.017 0.000 0.997 484 E CA 0.991 57.379 56.400 -0.020 0.000 0.801 484 E CB -0.323 29.363 29.700 -0.022 0.000 0.746 484 E HN 0.508 nan 8.360 nan 0.000 0.450 485 I N 0.631 121.187 120.570 -0.024 0.000 2.127 485 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 485 I C 2.888 179.004 176.117 -0.001 0.000 1.075 485 I CA 1.403 62.693 61.300 -0.017 0.000 1.334 485 I CB -0.388 37.596 38.000 -0.027 0.000 1.040 485 I HN 0.053 nan 8.210 nan 0.000 0.405 486 R N 1.131 121.631 120.500 -0.001 0.000 2.080 486 R HA -0.227 4.113 4.340 -0.000 0.000 0.236 486 R C 2.199 178.516 176.300 0.028 0.000 1.137 486 R CA 2.023 58.135 56.100 0.019 0.000 0.943 486 R CB -0.234 30.070 30.300 0.007 0.000 0.846 486 R HN 0.390 nan 8.270 nan 0.000 0.431 487 E N -0.209 119.999 120.200 0.013 0.000 2.047 487 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 487 E C 2.067 178.676 176.600 0.014 0.000 0.987 487 E CA 1.040 57.450 56.400 0.016 0.000 0.799 487 E CB 0.167 29.870 29.700 0.005 0.000 0.752 487 E HN 0.259 nan 8.360 nan 0.000 0.449 488 K N -0.740 119.665 120.400 0.007 0.000 2.116 488 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 488 K C 1.370 177.974 176.600 0.008 0.000 1.052 488 K CA 0.912 57.203 56.287 0.006 0.000 0.952 488 K CB 0.106 32.607 32.500 0.000 0.000 0.729 488 K HN 0.304 nan 8.250 nan 0.000 0.446 489 G N 2.296 111.102 108.800 0.010 0.000 2.198 489 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 489 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 489 G C -0.167 174.737 174.900 0.007 0.000 1.025 489 G CA 0.899 46.005 45.100 0.010 0.000 0.769 489 G HN 0.405 nan 8.290 nan 0.000 0.507 490 E N -1.295 118.908 120.200 0.005 0.000 2.380 490 E HA 0.528 4.878 4.350 -0.000 0.000 0.281 490 E C -0.603 175.998 176.600 0.002 0.000 0.999 490 E CA -0.960 55.444 56.400 0.006 0.000 0.800 490 E CB 1.055 30.758 29.700 0.006 0.000 1.228 490 E HN 0.164 nan 8.360 nan 0.000 0.436 491 L N 3.501 124.726 121.223 0.005 0.000 2.264 491 L HA 0.360 4.700 4.340 -0.000 0.000 0.287 491 L C 0.300 177.170 176.870 0.001 0.000 1.039 491 L CA -0.622 54.216 54.840 -0.003 0.000 0.829 491 L CB 1.101 43.160 42.059 0.001 0.000 1.211 491 L HN 0.533 nan 8.230 nan 0.000 0.427 492 S N 2.439 118.136 115.700 -0.005 0.000 2.589 492 S HA 0.165 4.635 4.470 -0.000 0.000 0.265 492 S C 1.047 175.646 174.600 -0.000 0.000 1.342 492 S CA -0.599 57.601 58.200 -0.001 0.000 1.005 492 S CB 1.140 64.338 63.200 -0.003 0.000 0.909 492 S HN 0.599 nan 8.310 nan 0.000 0.555 493 K N 1.060 121.464 120.400 0.005 0.000 2.103 493 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 493 K C 1.946 178.549 176.600 0.004 0.000 1.048 493 K CA 1.916 58.209 56.287 0.010 0.000 0.930 493 K CB -0.346 32.162 32.500 0.012 0.000 0.716 493 K HN 0.656 nan 8.250 nan 0.000 0.444 494 E N 1.324 121.524 120.200 -0.000 0.000 2.017 494 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 494 E C 2.056 178.645 176.600 -0.019 0.000 0.997 494 E CA 0.923 57.321 56.400 -0.004 0.000 0.804 494 E CB -0.421 29.277 29.700 -0.002 0.000 0.757 494 E HN 0.127 nan 8.360 nan 0.000 0.448 495 L N 0.263 121.470 121.223 -0.027 0.000 2.034 495 L HA -0.287 4.053 4.340 -0.000 0.000 0.217 495 L C 2.437 179.249 176.870 -0.096 0.000 1.077 495 L CA 1.214 56.022 54.840 -0.053 0.000 0.769 495 L CB -0.460 41.571 42.059 -0.047 0.000 0.890 495 L HN 0.186 nan 8.230 nan 0.000 0.435 496 L N -0.988 120.187 121.223 -0.080 0.000 2.012 496 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 496 L C 2.783 179.577 176.870 -0.128 0.000 1.073 496 L CA 1.438 56.209 54.840 -0.114 0.000 0.748 496 L CB -0.633 41.425 42.059 -0.002 0.000 0.891 496 L HN 0.300 nan 8.230 nan 0.000 0.431 497 A N -1.015 121.775 122.820 -0.050 0.000 1.877 497 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 497 A C 2.475 180.024 177.584 -0.059 0.000 1.186 497 A CA 2.111 54.134 52.037 -0.024 0.000 0.620 497 A CB -0.694 18.308 19.000 0.005 0.000 0.822 497 A HN 0.398 nan 8.150 nan 0.000 0.443 498 S N -0.433 115.223 115.700 -0.074 0.000 2.368 498 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 498 S C 1.868 176.344 174.600 -0.207 0.000 1.030 498 S CA 1.477 59.621 58.200 -0.093 0.000 0.999 498 S CB -0.472 62.696 63.200 -0.054 0.000 0.844 498 S HN 0.495 nan 8.310 nan 0.000 0.459 499 L N 2.143 123.212 121.223 -0.256 0.000 2.046 499 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 499 L C 2.136 178.755 176.870 -0.419 0.000 1.077 499 L CA 1.862 56.476 54.840 -0.377 0.000 0.747 499 L CB -0.586 41.169 42.059 -0.506 0.000 0.896 499 L HN 0.156 nan 8.230 nan 0.000 0.432 500 K N -1.312 118.868 120.400 -0.367 0.000 2.057 500 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 500 K C 2.343 178.933 176.600 -0.017 0.000 1.049 500 K CA 1.440 57.670 56.287 -0.095 0.000 0.931 500 K CB -0.247 32.315 32.500 0.102 0.000 0.714 500 K HN 0.431 nan 8.250 nan 0.000 0.440 501 S N 0.134 115.810 115.700 -0.039 0.000 2.348 501 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 501 S C 2.003 176.614 174.600 0.018 0.000 1.033 501 S CA 1.408 59.615 58.200 0.011 0.000 1.010 501 S CB -0.374 62.836 63.200 0.017 0.000 0.891 501 S HN 0.466 nan 8.310 nan 0.000 0.442 502 A N 0.277 123.015 122.820 -0.137 0.000 2.076 502 A HA -0.044 4.276 4.320 -0.000 0.000 0.220 502 A C 2.252 179.994 177.584 0.264 0.000 1.160 502 A CA 2.157 54.159 52.037 -0.058 0.000 0.653 502 A CB -1.215 17.492 19.000 -0.487 0.000 0.801 502 A HN 0.650 nan 8.150 nan 0.000 0.455 503 T N -0.406 114.230 114.554 0.138 0.000 2.735 503 T HA -0.072 4.278 4.350 -0.000 0.000 0.256 503 T C 1.750 176.486 174.700 0.059 0.000 1.042 503 T CA 1.359 63.493 62.100 0.058 0.000 1.147 503 T CB -0.259 68.521 68.868 -0.148 0.000 0.865 503 T HN 0.618 nan 8.240 nan 0.000 0.421 504 E N 1.069 121.321 120.200 0.087 0.000 2.204 504 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 504 E C 2.486 179.140 176.600 0.090 0.000 0.990 504 E CA 0.882 57.362 56.400 0.133 0.000 0.821 504 E CB -0.063 29.730 29.700 0.155 0.000 0.750 504 E HN 0.289 nan 8.360 nan 0.000 0.477 505 S N 0.456 116.225 115.700 0.114 0.000 2.348 505 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 505 S C 1.614 176.205 174.600 -0.014 0.000 1.033 505 S CA 1.011 59.276 58.200 0.107 0.000 1.010 505 S CB -0.315 63.036 63.200 0.253 0.000 0.891 505 S HN 0.317 nan 8.310 nan 0.000 0.442 506 F N 2.359 122.186 119.950 -0.206 0.000 2.186 506 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 506 F C 2.140 177.825 175.800 -0.192 0.000 1.090 506 F CA 0.600 58.364 58.000 -0.393 0.000 1.307 506 F CB -0.515 38.264 39.000 -0.368 0.000 1.019 506 F HN -0.073 nan 8.300 nan 0.000 0.489 507 V N 1.101 120.980 119.914 -0.059 0.000 2.317 507 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 507 V C 1.703 177.699 176.094 -0.164 0.000 1.065 507 V CA 1.358 63.633 62.300 -0.041 0.000 1.049 507 V CB -1.713 30.150 31.823 0.067 0.000 0.651 507 V HN 0.427 nan 8.190 nan 0.000 0.450 508 A N 0.435 123.156 122.820 -0.164 0.000 2.526 508 A HA 0.390 4.710 4.320 -0.000 0.000 0.287 508 A C 0.684 178.116 177.584 -0.254 0.000 1.232 508 A CA 1.179 53.121 52.037 -0.158 0.000 0.900 508 A CB -0.983 17.954 19.000 -0.104 0.000 1.077 508 A HN 0.708 nan 8.150 nan 0.000 0.535 509 T N 0.000 114.425 114.554 -0.216 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.960 62.100 -0.233 0.000 1.349 509 T CB 0.000 68.731 68.868 -0.228 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658