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 3ofn_1_U DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LILEPGQVGI 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 AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVATF 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 0.000 175.496 175.510 -0.023 0.000 1.280 26 N CA 0.000 53.042 53.050 -0.014 0.000 0.885 26 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 27 L N 1.944 123.138 121.223 -0.050 0.000 3.016 27 L HA 0.444 4.784 4.340 0.000 0.000 0.267 27 L C 1.347 178.160 176.870 -0.095 0.000 1.182 27 L CA -0.437 54.354 54.840 -0.082 0.000 0.997 27 L CB 0.075 42.047 42.059 -0.146 0.000 1.354 27 L HN 0.415 nan 8.230 nan 0.000 0.569 28 N N 1.204 119.862 118.700 -0.070 0.000 2.061 28 N HA -0.171 4.569 4.740 0.000 0.000 0.193 28 N C 1.534 177.008 175.510 -0.060 0.000 1.030 28 N CA 1.575 54.587 53.050 -0.064 0.000 0.856 28 N CB 0.160 38.620 38.487 -0.045 0.000 1.023 28 N HN 0.336 nan 8.380 nan 0.000 0.424 29 E N -0.647 119.523 120.200 -0.051 0.000 2.447 29 E HA 0.099 4.449 4.350 0.000 0.000 0.204 29 E C 0.680 177.247 176.600 -0.054 0.000 0.977 29 E CA 0.240 56.612 56.400 -0.046 0.000 0.950 29 E CB 0.109 29.789 29.700 -0.033 0.000 0.975 29 E HN 0.404 nan 8.360 nan 0.000 0.496 30 T N -1.031 113.491 114.554 -0.054 0.000 2.888 30 T HA 0.743 5.093 4.350 0.000 0.000 0.283 30 T C 0.526 175.183 174.700 -0.071 0.000 1.013 30 T CA -0.564 61.504 62.100 -0.055 0.000 0.938 30 T CB 1.883 70.733 68.868 -0.030 0.000 1.298 30 T HN 0.073 nan 8.240 nan 0.000 0.580 31 G N -1.133 107.634 108.800 -0.056 0.000 2.657 31 G HA2 0.568 4.528 3.960 0.000 0.000 0.303 31 G HA3 0.568 4.528 3.960 0.000 0.000 0.303 31 G C -0.897 174.009 174.900 0.011 0.000 1.457 31 G CA -0.713 44.362 45.100 -0.041 0.000 0.982 31 G HN 0.819 nan 8.290 nan 0.000 0.583 32 R N 0.674 121.233 120.500 0.099 0.000 2.404 32 R HA 0.792 5.132 4.340 0.000 0.000 0.291 32 R C 0.172 176.552 176.300 0.134 0.000 1.025 32 R CA -0.483 55.688 56.100 0.119 0.000 0.991 32 R CB 1.179 31.568 30.300 0.148 0.000 1.053 32 R HN 1.140 nan 8.270 nan 0.000 0.479 33 V N 4.658 124.647 119.914 0.125 0.000 2.446 33 V HA 0.056 4.176 4.120 0.000 0.000 0.276 33 V C 1.608 177.769 176.094 0.112 0.000 1.030 33 V CA 0.153 62.544 62.300 0.150 0.000 1.033 33 V CB 0.560 32.507 31.823 0.207 0.000 0.993 33 V HN 0.859 nan 8.190 nan 0.000 0.477 34 L N 4.247 125.536 121.223 0.110 0.000 2.068 34 L HA 0.286 4.626 4.340 0.000 0.000 0.204 34 L C 1.014 177.911 176.870 0.046 0.000 1.076 34 L CA 1.419 56.296 54.840 0.062 0.000 0.753 34 L CB 0.010 42.110 42.059 0.068 0.000 0.910 34 L HN 0.785 nan 8.230 nan 0.000 0.439 35 A N -1.132 121.725 122.820 0.061 0.000 2.589 35 A HA 0.622 4.942 4.320 0.000 0.000 0.296 35 A C -1.677 175.937 177.584 0.050 0.000 1.062 35 A CA -0.373 51.690 52.037 0.043 0.000 0.686 35 A CB 1.875 20.892 19.000 0.027 0.000 1.282 35 A HN -0.183 nan 8.150 nan 0.000 0.404 36 V N 0.509 120.440 119.914 0.029 0.000 2.971 36 V HA 0.985 5.105 4.120 0.000 0.000 0.309 36 V C -0.221 175.868 176.094 -0.008 0.000 1.130 36 V CA 0.671 62.978 62.300 0.011 0.000 0.964 36 V CB 2.108 33.928 31.823 -0.004 0.000 1.029 36 V HN 2.448 nan 8.190 nan 0.000 0.427 37 G N 2.979 111.767 108.800 -0.019 0.000 2.443 37 G HA2 0.433 4.393 3.960 0.000 0.000 0.303 37 G HA3 0.433 4.393 3.960 0.000 0.000 0.303 37 G C -0.847 174.038 174.900 -0.026 0.000 1.613 37 G CA 0.052 45.139 45.100 -0.022 0.000 0.879 37 G HN 1.097 nan 8.290 nan 0.000 0.632 38 D N -0.037 120.346 120.400 -0.027 0.000 2.701 38 D HA -0.210 4.430 4.640 0.000 0.000 0.235 38 D C 1.517 177.797 176.300 -0.034 0.000 1.155 38 D CA 2.228 56.212 54.000 -0.027 0.000 0.649 38 D CB -1.071 39.715 40.800 -0.022 0.000 1.050 38 D HN 2.303 nan 8.370 nan 0.000 0.425 39 G N -0.461 108.311 108.800 -0.046 0.000 2.179 39 G HA2 -0.296 3.664 3.960 0.000 0.000 0.257 39 G HA3 -0.296 3.664 3.960 0.000 0.000 0.257 39 G C 0.218 175.082 174.900 -0.060 0.000 1.010 39 G CA 0.432 45.496 45.100 -0.060 0.000 0.736 39 G HN 0.533 nan 8.290 nan 0.000 0.513 40 I N 0.174 120.718 120.570 -0.044 0.000 2.509 40 I HA 0.752 4.922 4.170 0.000 0.000 0.293 40 I C 0.251 176.368 176.117 -0.001 0.000 1.020 40 I CA -0.847 60.438 61.300 -0.024 0.000 1.088 40 I CB 1.778 39.766 38.000 -0.019 0.000 1.267 40 I HN 0.418 nan 8.210 nan 0.000 0.430 41 A N 6.556 129.401 122.820 0.043 0.000 2.381 41 A HA 0.732 5.052 4.320 0.000 0.000 0.299 41 A C -0.585 177.070 177.584 0.118 0.000 1.049 41 A CA -0.748 51.351 52.037 0.104 0.000 0.715 41 A CB 1.153 20.279 19.000 0.209 0.000 1.222 41 A HN 0.702 nan 8.150 nan 0.000 0.428 42 R N 1.412 121.972 120.500 0.100 0.000 2.198 42 R HA 0.528 4.868 4.340 0.000 0.000 0.339 42 R C -0.995 175.376 176.300 0.117 0.000 1.020 42 R CA -0.272 55.883 56.100 0.091 0.000 0.864 42 R CB 1.512 31.854 30.300 0.070 0.000 1.105 42 R HN 0.424 nan 8.270 nan 0.000 0.463 43 V N 4.529 124.508 119.914 0.108 0.000 2.459 43 V HA 0.317 4.437 4.120 0.000 0.000 0.295 43 V C -0.617 175.555 176.094 0.129 0.000 1.029 43 V CA -0.825 61.538 62.300 0.106 0.000 0.874 43 V CB 1.407 33.248 31.823 0.030 0.000 0.985 43 V HN 0.533 nan 8.190 nan 0.000 0.438 44 F N 4.405 124.356 119.950 0.002 0.000 2.411 44 F HA 0.757 5.284 4.527 0.000 0.000 0.350 44 F C 0.781 176.574 175.800 -0.012 0.000 1.114 44 F CA 1.195 59.194 58.000 -0.002 0.000 1.135 44 F CB 0.857 39.859 39.000 0.003 0.000 1.120 44 F HN 0.863 nan 8.300 nan 0.000 0.495 45 G N 4.326 112.695 108.800 -0.719 0.000 2.715 45 G HA2 -0.184 3.776 3.960 0.000 0.000 0.221 45 G HA3 -0.184 3.776 3.960 0.000 0.000 0.221 45 G C 0.228 174.963 174.900 -0.275 0.000 1.204 45 G CA -0.402 44.376 45.100 -0.536 0.000 1.063 45 G HN 1.253 nan 8.290 nan 0.000 0.586 46 L N 0.109 121.225 121.223 -0.177 0.000 3.858 46 L HA -0.284 4.056 4.340 0.000 0.000 0.425 46 L C 1.806 178.610 176.870 -0.110 0.000 1.177 46 L CA 0.772 55.540 54.840 -0.121 0.000 0.943 46 L CB -1.664 40.335 42.059 -0.100 0.000 1.861 46 L HN 0.631 nan 8.230 nan 0.000 0.985 47 N N 0.537 119.159 118.700 -0.129 0.000 2.064 47 N HA -0.216 4.524 4.740 0.000 0.000 0.200 47 N C 1.306 176.775 175.510 -0.069 0.000 1.028 47 N CA 2.337 55.324 53.050 -0.105 0.000 0.880 47 N CB -0.287 38.139 38.487 -0.101 0.000 1.062 47 N HN 0.479 nan 8.380 nan 0.000 0.454 48 N N 0.338 119.004 118.700 -0.057 0.000 2.461 48 N HA 0.060 4.800 4.740 0.000 0.000 0.188 48 N C 0.296 175.786 175.510 -0.033 0.000 1.134 48 N CA -0.060 52.966 53.050 -0.040 0.000 0.878 48 N CB -0.105 38.361 38.487 -0.034 0.000 0.972 48 N HN 0.361 nan 8.380 nan 0.000 0.456 49 I N 1.217 121.763 120.570 -0.039 0.000 2.948 49 I HA -0.166 4.004 4.170 0.000 0.000 0.290 49 I C 0.255 176.362 176.117 -0.017 0.000 1.226 49 I CA 0.188 61.471 61.300 -0.029 0.000 1.413 49 I CB 0.594 38.573 38.000 -0.036 0.000 1.352 49 I HN 0.084 nan 8.210 nan 0.000 0.597 50 Q N 4.809 124.604 119.800 -0.007 0.000 2.214 50 Q HA 0.552 4.892 4.340 0.000 0.000 0.251 50 Q C -0.386 175.618 176.000 0.008 0.000 0.936 50 Q CA -0.928 54.875 55.803 0.001 0.000 0.894 50 Q CB 1.470 30.212 28.738 0.005 0.000 1.252 50 Q HN 0.746 nan 8.270 nan 0.000 0.448 51 A N 2.063 124.889 122.820 0.010 0.000 2.444 51 A HA 0.138 4.458 4.320 0.000 0.000 0.273 51 A C 0.038 177.638 177.584 0.026 0.000 1.136 51 A CA 0.155 52.203 52.037 0.017 0.000 0.799 51 A CB -0.304 18.706 19.000 0.017 0.000 1.081 51 A HN 0.943 nan 8.150 nan 0.000 0.509 52 E N -0.000 120.221 120.200 0.035 0.000 4.027 52 E HA -0.163 4.187 4.350 0.000 0.000 0.338 52 E C 0.099 176.739 176.600 0.068 0.000 0.738 52 E CA 0.986 57.418 56.400 0.054 0.000 1.334 52 E CB -1.421 28.307 29.700 0.047 0.000 1.687 52 E HN 0.945 nan 8.360 nan 0.000 0.407 53 E N 1.039 121.271 120.200 0.054 0.000 2.373 53 E HA 0.235 4.585 4.350 0.000 0.000 0.267 53 E C -0.199 176.455 176.600 0.090 0.000 1.032 53 E CA -0.384 56.049 56.400 0.055 0.000 0.889 53 E CB 0.601 30.318 29.700 0.028 0.000 0.984 53 E HN 0.014 nan 8.360 nan 0.000 0.425 54 L N 4.282 125.567 121.223 0.102 0.000 2.452 54 L HA 0.187 4.527 4.340 0.000 0.000 0.267 54 L C -0.465 176.466 176.870 0.101 0.000 1.188 54 L CA 0.175 55.105 54.840 0.151 0.000 0.821 54 L CB 1.339 43.458 42.059 0.100 0.000 1.102 54 L HN 0.415 nan 8.230 nan 0.000 0.470 55 V N -0.600 119.394 119.914 0.133 0.000 3.007 55 V HA 0.650 4.770 4.120 0.000 0.000 0.311 55 V C -0.747 175.392 176.094 0.075 0.000 1.120 55 V CA -0.876 61.450 62.300 0.043 0.000 0.980 55 V CB 1.969 33.760 31.823 -0.054 0.000 1.033 55 V HN 0.728 nan 8.190 nan 0.000 0.429 56 E N 1.465 121.660 120.200 -0.007 0.000 2.183 56 E HA 0.582 4.932 4.350 0.000 0.000 0.271 56 E C -1.703 174.871 176.600 -0.045 0.000 0.919 56 E CA -0.513 55.920 56.400 0.056 0.000 0.781 56 E CB 2.228 31.955 29.700 0.045 0.000 1.140 56 E HN 0.649 nan 8.360 nan 0.000 0.402 57 F N 0.423 120.403 119.950 0.051 0.000 2.408 57 F HA 0.048 4.575 4.527 0.000 0.000 0.325 57 F C 1.913 177.734 175.800 0.035 0.000 1.082 57 F CA -0.206 57.820 58.000 0.043 0.000 1.032 57 F CB 1.356 40.384 39.000 0.046 0.000 1.259 57 F HN 0.455 nan 8.300 nan 0.000 0.503 58 S N -1.070 114.753 115.700 0.206 0.000 2.447 58 S HA -0.141 4.329 4.470 0.000 0.000 0.233 58 S C 1.616 176.286 174.600 0.118 0.000 1.006 58 S CA 0.945 59.218 58.200 0.121 0.000 0.957 58 S CB -0.823 62.431 63.200 0.090 0.000 0.773 58 S HN 0.620 nan 8.310 nan 0.000 0.507 59 S N 0.178 115.968 115.700 0.150 0.000 2.607 59 S HA 0.485 4.955 4.470 0.000 0.000 0.224 59 S C 1.613 176.269 174.600 0.094 0.000 0.969 59 S CA 0.461 58.720 58.200 0.098 0.000 0.927 59 S CB -0.443 62.799 63.200 0.069 0.000 0.772 59 S HN 1.222 nan 8.310 nan 0.000 0.533 60 G N 0.392 109.269 108.800 0.129 0.000 2.611 60 G HA2 -0.264 3.696 3.960 0.000 0.000 0.208 60 G HA3 -0.264 3.696 3.960 0.000 0.000 0.208 60 G C 0.188 175.176 174.900 0.147 0.000 1.201 60 G CA -0.205 44.961 45.100 0.110 0.000 0.739 60 G HN 0.716 nan 8.290 nan 0.000 0.528 61 V N 2.583 122.587 119.914 0.149 0.000 3.032 61 V HA 0.383 4.503 4.120 0.000 0.000 0.307 61 V C 0.899 177.169 176.094 0.295 0.000 1.097 61 V CA 0.882 63.274 62.300 0.154 0.000 1.191 61 V CB 1.034 32.884 31.823 0.046 0.000 0.964 61 V HN 0.485 nan 8.190 nan 0.000 0.494 62 K N 2.709 123.282 120.400 0.287 0.000 2.106 62 K HA 0.734 5.054 4.320 0.000 0.000 0.246 62 K C -0.017 176.949 176.600 0.610 0.000 0.987 62 K CA -0.002 56.517 56.287 0.387 0.000 0.904 62 K CB 1.666 34.290 32.500 0.207 0.000 1.071 62 K HN 0.910 nan 8.250 nan 0.000 0.453 63 G N 0.371 109.550 108.800 0.631 0.000 2.682 63 G HA2 0.571 4.531 3.960 0.000 0.000 0.290 63 G HA3 0.571 4.531 3.960 0.000 0.000 0.290 63 G C -1.844 173.286 174.900 0.383 0.000 1.425 63 G CA -0.745 44.619 45.100 0.440 0.000 0.807 63 G HN 0.477 nan 8.290 nan 0.000 0.482 64 M N 1.357 121.004 119.600 0.078 0.000 2.151 64 M HA 0.633 5.113 4.480 0.000 0.000 0.290 64 M C -0.095 176.229 176.300 0.039 0.000 0.965 64 M CA -0.780 54.583 55.300 0.105 0.000 0.930 64 M CB 1.751 34.381 32.600 0.050 0.000 1.560 64 M HN 0.728 nan 8.290 nan 0.000 0.438 65 A N 5.878 128.732 122.820 0.057 0.000 2.544 65 A HA 0.339 4.659 4.320 0.000 0.000 0.301 65 A C 0.338 177.935 177.584 0.021 0.000 1.368 65 A CA -0.200 51.855 52.037 0.030 0.000 1.045 65 A CB -0.503 18.509 19.000 0.020 0.000 1.129 65 A HN 1.077 nan 8.150 nan 0.000 0.540 66 L N 2.151 123.377 121.223 0.006 0.000 2.416 66 L HA 0.289 4.629 4.340 0.000 0.000 0.216 66 L C 0.050 176.926 176.870 0.010 0.000 1.098 66 L CA 0.708 55.550 54.840 0.003 0.000 0.840 66 L CB 0.097 42.141 42.059 -0.025 0.000 0.981 66 L HN 0.601 nan 8.230 nan 0.000 0.462 67 I N 0.884 121.460 120.570 0.009 0.000 2.468 67 I HA 0.342 4.512 4.170 0.000 0.000 0.284 67 I C -0.535 175.588 176.117 0.010 0.000 1.038 67 I CA -0.274 61.032 61.300 0.011 0.000 1.083 67 I CB 1.721 39.727 38.000 0.009 0.000 1.223 67 I HN -0.252 nan 8.210 nan 0.000 0.443 68 L N 5.415 126.643 121.223 0.008 0.000 2.313 68 L HA 0.864 5.204 4.340 0.000 0.000 0.283 68 L C -0.412 176.460 176.870 0.004 0.000 1.013 68 L CA -0.411 54.430 54.840 0.002 0.000 0.816 68 L CB 1.240 43.296 42.059 -0.004 0.000 1.236 68 L HN 0.708 nan 8.230 nan 0.000 0.419 69 E N 2.236 122.439 120.200 0.004 0.000 2.440 69 E HA 0.657 5.007 4.350 0.000 0.000 0.263 69 E C -1.626 174.978 176.600 0.007 0.000 0.938 69 E CA -1.244 55.162 56.400 0.010 0.000 0.831 69 E CB 1.101 30.812 29.700 0.019 0.000 1.456 69 E HN 0.623 nan 8.360 nan 0.000 0.427 70 P HA -0.142 nan 4.420 nan 0.000 0.208 70 P C 1.246 178.568 177.300 0.036 0.000 1.195 70 P CA 1.488 64.600 63.100 0.020 0.000 0.927 70 P CB -0.322 31.395 31.700 0.027 0.000 0.778 71 G N -0.863 107.979 108.800 0.070 0.000 2.433 71 G HA2 -0.125 3.836 3.960 0.000 0.000 0.216 71 G HA3 -0.125 3.836 3.960 0.000 0.000 0.216 71 G C 0.567 175.573 174.900 0.177 0.000 1.186 71 G CA 0.902 46.089 45.100 0.144 0.000 0.779 71 G HN 0.528 nan 8.290 nan 0.000 0.543 72 Q N -1.854 118.012 119.800 0.110 0.000 2.683 72 Q HA 0.700 5.040 4.340 0.000 0.000 0.302 72 Q C -1.782 174.242 176.000 0.040 0.000 1.042 72 Q CA -1.031 54.836 55.803 0.107 0.000 0.773 72 Q CB 2.555 31.375 28.738 0.136 0.000 1.508 72 Q HN -0.046 nan 8.270 nan 0.000 0.459 73 V N 0.507 120.441 119.914 0.034 0.000 2.495 73 V HA 0.688 4.808 4.120 0.000 0.000 0.298 73 V C -0.007 176.108 176.094 0.036 0.000 1.031 73 V CA -0.514 61.797 62.300 0.017 0.000 0.871 73 V CB 1.698 33.516 31.823 -0.008 0.000 0.988 73 V HN 0.837 nan 8.190 nan 0.000 0.432 74 G N 4.611 113.428 108.800 0.028 0.000 2.353 74 G HA2 0.674 4.634 3.960 0.000 0.000 0.284 74 G HA3 0.674 4.634 3.960 0.000 0.000 0.284 74 G C -0.889 174.029 174.900 0.030 0.000 1.172 74 G CA -0.225 44.893 45.100 0.031 0.000 0.854 74 G HN 0.582 nan 8.290 nan 0.000 0.485 75 I N 1.790 122.391 120.570 0.050 0.000 2.533 75 I HA 0.258 4.428 4.170 0.000 0.000 0.290 75 I C -0.094 176.040 176.117 0.027 0.000 1.056 75 I CA -1.152 60.183 61.300 0.059 0.000 1.057 75 I CB 2.628 40.709 38.000 0.136 0.000 1.240 75 I HN 0.408 nan 8.210 nan 0.000 0.423 76 V N 5.592 125.473 119.914 -0.056 0.000 2.364 76 V HA 0.524 4.644 4.120 0.000 0.000 0.272 76 V C -0.052 175.902 176.094 -0.234 0.000 1.036 76 V CA -0.681 61.538 62.300 -0.136 0.000 0.880 76 V CB 0.797 32.511 31.823 -0.181 0.000 0.991 76 V HN 0.502 nan 8.190 nan 0.000 0.460 77 L N 4.401 125.530 121.223 -0.157 0.000 2.416 77 L HA 0.325 4.665 4.340 0.000 0.000 0.272 77 L C 0.883 177.643 176.870 -0.184 0.000 1.161 77 L CA -0.074 54.688 54.840 -0.130 0.000 0.845 77 L CB 0.270 42.256 42.059 -0.123 0.000 1.119 77 L HN 0.597 nan 8.230 nan 0.000 0.464 78 F N 0.939 120.922 119.950 0.054 0.000 2.615 78 F HA 0.140 4.667 4.527 0.000 0.000 0.297 78 F C 1.491 177.309 175.800 0.031 0.000 1.124 78 F CA 0.457 58.491 58.000 0.056 0.000 1.451 78 F CB 0.108 39.151 39.000 0.071 0.000 1.103 78 F HN 0.566 nan 8.300 nan 0.000 0.569 79 G N -1.424 107.465 108.800 0.149 0.000 3.022 79 G HA2 0.344 4.304 3.960 0.000 0.000 0.284 79 G HA3 0.344 4.304 3.960 0.000 0.000 0.284 79 G C -1.029 173.871 174.900 -0.000 0.000 1.375 79 G CA -0.690 44.455 45.100 0.075 0.000 0.902 79 G HN -0.125 nan 8.290 nan 0.000 0.538 80 S N -0.438 115.258 115.700 -0.007 0.000 2.596 80 S HA 0.033 4.503 4.470 0.000 0.000 0.298 80 S C 1.373 175.928 174.600 -0.074 0.000 1.255 80 S CA 0.645 58.827 58.200 -0.030 0.000 1.083 80 S CB 0.342 63.532 63.200 -0.017 0.000 0.837 80 S HN 0.617 nan 8.310 nan 0.000 0.499 81 D N 4.733 125.085 120.400 -0.080 0.000 2.312 81 D HA -0.041 4.599 4.640 0.000 0.000 0.211 81 D C 2.102 178.348 176.300 -0.090 0.000 0.964 81 D CA 1.237 55.169 54.000 -0.113 0.000 0.877 81 D CB -0.449 40.295 40.800 -0.094 0.000 0.924 81 D HN 0.581 nan 8.370 nan 0.000 0.515 82 R N 1.232 121.697 120.500 -0.058 0.000 2.096 82 R HA -0.022 4.318 4.340 0.000 0.000 0.240 82 R C 2.440 178.715 176.300 -0.041 0.000 1.139 82 R CA 1.892 57.969 56.100 -0.039 0.000 0.952 82 R CB -1.944 28.341 30.300 -0.024 0.000 0.854 82 R HN 0.573 nan 8.270 nan 0.000 0.436 83 L N -1.415 119.778 121.223 -0.050 0.000 2.627 83 L HA 0.380 4.720 4.340 0.000 0.000 0.233 83 L C -0.062 176.773 176.870 -0.057 0.000 1.144 83 L CA -0.070 54.747 54.840 -0.039 0.000 0.892 83 L CB 0.088 42.133 42.059 -0.024 0.000 1.039 83 L HN 0.018 nan 8.230 nan 0.000 0.442 84 V N 0.583 120.436 119.914 -0.101 0.000 2.417 84 V HA 0.781 4.901 4.120 0.000 0.000 0.291 84 V C 0.538 176.609 176.094 -0.038 0.000 1.024 84 V CA -0.076 62.157 62.300 -0.113 0.000 0.861 84 V CB 0.857 32.478 31.823 -0.337 0.000 0.985 84 V HN 0.368 nan 8.190 nan 0.000 0.436 85 K N 2.728 123.139 120.400 0.019 0.000 2.303 85 K HA 0.689 5.009 4.320 0.000 0.000 0.233 85 K C -0.066 176.569 176.600 0.058 0.000 1.046 85 K CA -0.781 55.524 56.287 0.029 0.000 0.895 85 K CB 0.887 33.405 32.500 0.030 0.000 1.220 85 K HN 0.754 nan 8.250 nan 0.000 0.470 86 E N 0.026 120.254 120.200 0.046 0.000 2.331 86 E HA 0.412 4.763 4.350 0.000 0.000 0.272 86 E C 0.529 177.163 176.600 0.057 0.000 1.036 86 E CA 0.843 57.275 56.400 0.053 0.000 0.864 86 E CB 0.565 30.284 29.700 0.032 0.000 1.035 86 E HN 1.132 nan 8.360 nan 0.000 0.408 87 G N 3.492 112.332 108.800 0.068 0.000 2.225 87 G HA2 -0.291 3.669 3.960 0.000 0.000 0.264 87 G HA3 -0.291 3.669 3.960 0.000 0.000 0.264 87 G C -0.148 174.794 174.900 0.070 0.000 1.060 87 G CA 0.839 45.975 45.100 0.061 0.000 0.833 87 G HN 0.644 nan 8.290 nan 0.000 0.498 88 E N -0.850 119.408 120.200 0.097 0.000 2.235 88 E HA 0.728 5.078 4.350 0.000 0.000 0.265 88 E C 0.277 176.931 176.600 0.089 0.000 0.940 88 E CA -1.413 55.048 56.400 0.102 0.000 0.819 88 E CB 1.620 31.402 29.700 0.137 0.000 1.206 88 E HN 0.443 nan 8.360 nan 0.000 0.409 89 L N 2.271 123.531 121.223 0.062 0.000 2.455 89 L HA 0.220 4.560 4.340 0.000 0.000 0.272 89 L C -1.179 175.654 176.870 -0.062 0.000 1.174 89 L CA -0.363 54.483 54.840 0.011 0.000 0.869 89 L CB 0.687 42.754 42.059 0.013 0.000 1.130 89 L HN 0.456 nan 8.230 nan 0.000 0.474 90 V N 6.106 125.931 119.914 -0.149 0.000 2.349 90 V HA 0.296 4.416 4.120 0.000 0.000 0.284 90 V C 0.034 176.001 176.094 -0.212 0.000 1.014 90 V CA -0.737 61.359 62.300 -0.340 0.000 0.826 90 V CB 1.156 32.681 31.823 -0.496 0.000 1.009 90 V HN 0.685 nan 8.190 nan 0.000 0.431 91 K N 4.890 125.186 120.400 -0.173 0.000 2.234 91 K HA 0.450 4.770 4.320 0.000 0.000 0.282 91 K C 0.312 176.857 176.600 -0.091 0.000 1.039 91 K CA -0.627 55.603 56.287 -0.096 0.000 0.928 91 K CB 0.889 33.358 32.500 -0.052 0.000 1.039 91 K HN 0.594 nan 8.250 nan 0.000 0.470 92 R N 1.297 121.758 120.500 -0.066 0.000 2.827 92 R HA 0.019 4.359 4.340 0.000 0.000 0.269 92 R C 0.688 176.974 176.300 -0.024 0.000 1.048 92 R CA 0.278 56.351 56.100 -0.045 0.000 1.173 92 R CB 0.584 30.862 30.300 -0.037 0.000 1.070 92 R HN 0.698 nan 8.270 nan 0.000 0.498 93 T N -0.763 113.785 114.554 -0.010 0.000 2.999 93 T HA 0.163 4.513 4.350 0.000 0.000 0.247 93 T C 1.072 175.771 174.700 -0.002 0.000 1.012 93 T CA 0.554 62.653 62.100 -0.001 0.000 1.048 93 T CB 0.600 69.476 68.868 0.012 0.000 1.020 93 T HN 0.886 nan 8.240 nan 0.000 0.478 94 G N 1.959 110.758 108.800 -0.002 0.000 2.213 94 G HA2 -0.207 3.753 3.960 0.000 0.000 0.236 94 G HA3 -0.207 3.753 3.960 0.000 0.000 0.236 94 G C -0.136 174.766 174.900 0.003 0.000 0.991 94 G CA -0.118 44.980 45.100 -0.002 0.000 0.629 94 G HN 0.577 nan 8.290 nan 0.000 0.517 95 N N 0.682 119.387 118.700 0.008 0.000 2.314 95 N HA 0.668 5.408 4.740 0.000 0.000 0.304 95 N C 0.224 175.747 175.510 0.022 0.000 1.073 95 N CA -1.119 51.938 53.050 0.011 0.000 0.822 95 N CB 1.623 40.114 38.487 0.007 0.000 1.280 95 N HN 0.060 nan 8.380 nan 0.000 0.489 96 I N 1.215 121.798 120.570 0.022 0.000 2.993 96 I HA -0.015 4.155 4.170 0.000 0.000 0.286 96 I C 0.646 176.783 176.117 0.034 0.000 1.215 96 I CA -0.304 61.014 61.300 0.030 0.000 1.393 96 I CB 0.068 38.079 38.000 0.020 0.000 1.371 96 I HN 0.303 nan 8.210 nan 0.000 0.602 97 V N 4.734 124.680 119.914 0.054 0.000 2.617 97 V HA 0.023 4.143 4.120 0.000 0.000 0.304 97 V C 0.203 176.313 176.094 0.025 0.000 1.040 97 V CA 0.017 62.348 62.300 0.051 0.000 1.149 97 V CB -0.206 31.679 31.823 0.103 0.000 0.914 97 V HN 0.898 nan 8.190 nan 0.000 0.487 98 D N 3.322 123.726 120.400 0.008 0.000 2.579 98 D HA 0.692 5.332 4.640 0.000 0.000 0.257 98 D C -0.887 175.412 176.300 -0.003 0.000 1.176 98 D CA -0.627 53.377 54.000 0.007 0.000 0.914 98 D CB 2.299 43.101 40.800 0.004 0.000 1.431 98 D HN 0.519 nan 8.370 nan 0.000 0.454 99 V N -3.933 115.984 119.914 0.004 0.000 2.760 99 V HA 0.593 4.713 4.120 0.000 0.000 0.309 99 V C -2.902 173.184 176.094 -0.013 0.000 1.077 99 V CA -2.200 60.098 62.300 -0.004 0.000 0.910 99 V CB 1.955 33.785 31.823 0.012 0.000 1.008 99 V HN 0.460 nan 8.190 nan 0.000 0.424 100 P HA 0.211 nan 4.420 nan 0.000 0.269 100 P C -0.210 177.043 177.300 -0.079 0.000 1.263 100 P CA 0.238 63.306 63.100 -0.053 0.000 0.813 100 P CB 0.894 32.558 31.700 -0.059 0.000 0.868 101 V N 1.987 121.846 119.914 -0.093 0.000 2.435 101 V HA 1.011 5.131 4.120 0.000 0.000 0.290 101 V C 0.247 176.091 176.094 -0.416 0.000 1.030 101 V CA -0.470 61.736 62.300 -0.157 0.000 0.881 101 V CB 1.319 33.133 31.823 -0.016 0.000 0.983 101 V HN 0.715 nan 8.190 nan 0.000 0.445 102 G N 3.775 112.172 108.800 -0.673 0.000 2.466 102 G HA2 0.561 4.521 3.960 0.000 0.000 0.291 102 G HA3 0.561 4.521 3.960 0.000 0.000 0.291 102 G C -2.664 171.570 174.900 -1.109 0.000 1.460 102 G CA -0.105 44.319 45.100 -1.127 0.000 0.791 102 G HN 0.449 nan 8.290 nan 0.000 0.505 103 P HA 0.023 nan 4.420 nan 0.000 0.221 103 P C 1.729 178.827 177.300 -0.336 0.000 1.150 103 P CA 1.364 63.995 63.100 -0.780 0.000 0.800 103 P CB 0.094 31.430 31.700 -0.608 0.000 0.787 104 G N -0.366 108.252 108.800 -0.303 0.000 2.916 104 G HA2 -0.071 3.889 3.960 0.000 0.000 0.205 104 G HA3 -0.071 3.889 3.960 0.000 0.000 0.205 104 G C 1.158 175.987 174.900 -0.118 0.000 1.163 104 G CA 0.078 45.080 45.100 -0.163 0.000 0.821 104 G HN 0.192 nan 8.290 nan 0.000 0.515 105 L N -0.237 120.912 121.223 -0.124 0.000 2.298 105 L HA 0.326 4.666 4.340 0.000 0.000 0.209 105 L C 1.395 178.264 176.870 -0.002 0.000 1.084 105 L CA 0.127 54.932 54.840 -0.059 0.000 0.816 105 L CB -0.172 41.854 42.059 -0.055 0.000 0.967 105 L HN 0.087 nan 8.230 nan 0.000 0.460 106 L N 0.558 121.801 121.223 0.034 0.000 2.640 106 L HA 0.064 4.404 4.340 0.000 0.000 0.280 106 L C 1.462 178.356 176.870 0.039 0.000 1.229 106 L CA 0.961 55.849 54.840 0.079 0.000 0.919 106 L CB -0.494 41.653 42.059 0.145 0.000 1.168 106 L HN 0.478 nan 8.230 nan 0.000 0.496 107 G N 1.866 110.678 108.800 0.019 0.000 2.217 107 G HA2 -0.210 3.750 3.960 0.000 0.000 0.246 107 G HA3 -0.210 3.750 3.960 0.000 0.000 0.246 107 G C 0.366 175.257 174.900 -0.014 0.000 0.990 107 G CA -0.455 44.638 45.100 -0.012 0.000 0.627 107 G HN 0.461 nan 8.290 nan 0.000 0.522 108 R N -0.040 120.456 120.500 -0.006 0.000 2.536 108 R HA 0.667 5.007 4.340 0.000 0.000 0.279 108 R C -0.195 176.103 176.300 -0.002 0.000 1.001 108 R CA -0.680 55.415 56.100 -0.009 0.000 1.027 108 R CB 1.522 31.814 30.300 -0.013 0.000 1.096 108 R HN 0.201 nan 8.270 nan 0.000 0.502 109 V N 3.049 122.962 119.914 -0.002 0.000 2.347 109 V HA 0.292 4.412 4.120 0.000 0.000 0.280 109 V C 0.145 176.243 176.094 0.008 0.000 1.021 109 V CA -0.733 61.572 62.300 0.007 0.000 0.847 109 V CB 1.436 33.262 31.823 0.006 0.000 0.990 109 V HN 0.574 nan 8.190 nan 0.000 0.444 110 V N 1.783 121.704 119.914 0.013 0.000 2.769 110 V HA 0.808 4.928 4.120 0.000 0.000 0.312 110 V C -0.137 175.968 176.094 0.019 0.000 1.058 110 V CA -0.830 61.475 62.300 0.009 0.000 0.952 110 V CB 1.976 33.800 31.823 0.001 0.000 1.019 110 V HN 0.803 nan 8.190 nan 0.000 0.445 111 D N 2.805 123.215 120.400 0.016 0.000 2.440 111 D HA 0.476 5.116 4.640 0.000 0.000 0.269 111 D C 1.332 177.649 176.300 0.028 0.000 1.249 111 D CA 0.230 54.246 54.000 0.027 0.000 1.055 111 D CB 0.803 41.618 40.800 0.026 0.000 1.104 111 D HN 0.801 nan 8.370 nan 0.000 0.561 112 A N -0.498 122.348 122.820 0.045 0.000 1.892 112 A HA -0.145 4.175 4.320 0.000 0.000 0.218 112 A C 2.306 179.909 177.584 0.031 0.000 1.188 112 A CA 1.567 53.638 52.037 0.057 0.000 0.631 112 A CB -1.117 17.946 19.000 0.105 0.000 0.822 112 A HN 0.570 nan 8.150 nan 0.000 0.447 113 L N -1.500 119.719 121.223 -0.007 0.000 2.599 113 L HA 0.166 4.506 4.340 0.000 0.000 0.230 113 L C 1.793 178.642 176.870 -0.036 0.000 1.141 113 L CA 0.539 55.349 54.840 -0.051 0.000 0.877 113 L CB -0.251 41.725 42.059 -0.137 0.000 1.009 113 L HN 0.677 nan 8.230 nan 0.000 0.447 114 G N -0.712 108.077 108.800 -0.017 0.000 2.234 114 G HA2 -0.252 3.708 3.960 0.000 0.000 0.235 114 G HA3 -0.252 3.708 3.960 0.000 0.000 0.235 114 G C 0.265 175.152 174.900 -0.022 0.000 0.997 114 G CA -0.390 44.699 45.100 -0.018 0.000 0.623 114 G HN 0.385 nan 8.290 nan 0.000 0.514 115 N N 3.140 121.825 118.700 -0.025 0.000 2.359 115 N HA 0.212 4.952 4.740 0.000 0.000 0.261 115 N C -2.419 173.083 175.510 -0.013 0.000 1.267 115 N CA 0.002 53.039 53.050 -0.022 0.000 0.864 115 N CB 0.857 39.331 38.487 -0.023 0.000 1.063 115 N HN 0.285 nan 8.380 nan 0.000 0.474 116 P HA 0.052 nan 4.420 nan 0.000 0.267 116 P C 0.431 177.728 177.300 -0.005 0.000 1.205 116 P CA 0.150 63.244 63.100 -0.010 0.000 0.765 116 P CB 0.361 32.052 31.700 -0.015 0.000 0.828 117 I N -0.524 120.046 120.570 -0.000 0.000 4.050 117 I HA 0.249 4.419 4.170 0.000 0.000 0.327 117 I C 0.128 176.246 176.117 0.003 0.000 1.473 117 I CA -0.248 61.054 61.300 0.004 0.000 1.124 117 I CB 0.072 38.078 38.000 0.011 0.000 1.129 117 I HN 0.004 nan 8.210 nan 0.000 0.428 118 D N 0.780 121.179 120.400 -0.002 0.000 2.402 118 D HA 0.187 4.827 4.640 0.000 0.000 0.216 118 D C 1.309 177.605 176.300 -0.006 0.000 1.128 118 D CA -0.023 53.974 54.000 -0.004 0.000 0.833 118 D CB 0.055 40.850 40.800 -0.007 0.000 0.971 118 D HN 0.328 nan 8.370 nan 0.000 0.503 119 G N 1.285 110.082 108.800 -0.005 0.000 2.363 119 G HA2 -0.317 3.643 3.960 0.000 0.000 0.286 119 G HA3 -0.317 3.643 3.960 0.000 0.000 0.286 119 G C -0.064 174.831 174.900 -0.008 0.000 0.975 119 G CA 0.043 45.139 45.100 -0.006 0.000 1.309 119 G HN 0.419 nan 8.290 nan 0.000 0.491 120 K N 0.534 120.928 120.400 -0.010 0.000 3.207 120 K HA 0.514 4.834 4.320 0.000 0.000 0.166 120 K C 1.017 177.609 176.600 -0.014 0.000 1.079 120 K CA -0.089 56.191 56.287 -0.012 0.000 0.818 120 K CB 0.732 33.224 32.500 -0.013 0.000 0.967 120 K HN 1.661 nan 8.250 nan 0.000 0.594 121 G N 2.378 111.170 108.800 -0.013 0.000 2.697 121 G HA2 -0.255 3.705 3.960 0.000 0.000 0.240 121 G HA3 -0.255 3.705 3.960 0.000 0.000 0.240 121 G C -2.528 172.361 174.900 -0.018 0.000 1.346 121 G CA -0.883 44.207 45.100 -0.015 0.000 0.887 121 G HN 0.284 nan 8.290 nan 0.000 0.569 122 P HA 0.615 nan 4.420 nan 0.000 0.297 122 P C 0.082 177.363 177.300 -0.033 0.000 1.307 122 P CA -0.788 62.296 63.100 -0.026 0.000 0.773 122 P CB 0.500 32.184 31.700 -0.026 0.000 1.265 123 I N 0.482 121.028 120.570 -0.040 0.000 2.395 123 I HA 0.129 4.299 4.170 0.000 0.000 0.289 123 I C 0.480 176.558 176.117 -0.065 0.000 1.023 123 I CA -0.229 61.039 61.300 -0.053 0.000 1.350 123 I CB -0.017 37.947 38.000 -0.060 0.000 1.409 123 I HN 0.263 nan 8.210 nan 0.000 0.507 124 D N 5.644 126.001 120.400 -0.072 0.000 2.348 124 D HA 0.324 4.964 4.640 0.000 0.000 0.259 124 D C -0.101 176.123 176.300 -0.126 0.000 1.296 124 D CA 0.234 54.183 54.000 -0.084 0.000 0.931 124 D CB 0.497 41.252 40.800 -0.075 0.000 1.067 124 D HN 0.628 nan 8.370 nan 0.000 0.503 125 A N 2.729 125.476 122.820 -0.122 0.000 2.304 125 A HA 0.622 4.942 4.320 0.000 0.000 0.323 125 A C 1.045 178.532 177.584 -0.162 0.000 1.195 125 A CA -0.218 51.723 52.037 -0.161 0.000 0.826 125 A CB 1.542 20.471 19.000 -0.119 0.000 1.184 125 A HN 0.509 nan 8.150 nan 0.000 0.496 126 A N 2.046 124.719 122.820 -0.246 0.000 1.969 126 A HA 0.465 4.785 4.320 0.000 0.000 0.218 126 A C 1.253 178.800 177.584 -0.062 0.000 1.169 126 A CA 1.795 53.734 52.037 -0.163 0.000 0.635 126 A CB -0.340 18.517 19.000 -0.238 0.000 0.810 126 A HN 2.333 nan 8.150 nan 0.000 0.445 127 G N -1.951 106.804 108.800 -0.074 0.000 2.320 127 G HA2 0.467 4.427 3.960 0.000 0.000 0.296 127 G HA3 0.467 4.427 3.960 0.000 0.000 0.296 127 G C -1.319 173.570 174.900 -0.019 0.000 1.306 127 G CA -1.014 44.075 45.100 -0.018 0.000 0.836 127 G HN 0.135 nan 8.290 nan 0.000 0.517 128 R N 0.775 121.277 120.500 0.004 0.000 2.402 128 R HA 0.503 4.843 4.340 0.000 0.000 0.290 128 R C -0.033 176.280 176.300 0.022 0.000 1.321 128 R CA -0.435 55.667 56.100 0.003 0.000 1.283 128 R CB 1.326 31.622 30.300 -0.005 0.000 1.111 128 R HN 0.396 nan 8.270 nan 0.000 0.578 129 S N 1.523 117.246 115.700 0.038 0.000 2.568 129 S HA 0.179 4.649 4.470 0.000 0.000 0.282 129 S C 0.913 175.534 174.600 0.034 0.000 1.338 129 S CA -0.170 58.059 58.200 0.049 0.000 1.045 129 S CB 0.507 63.752 63.200 0.074 0.000 0.873 129 S HN 0.637 nan 8.310 nan 0.000 0.516 130 R N 0.907 121.425 120.500 0.030 0.000 2.637 130 R HA 0.700 5.040 4.340 0.000 0.000 0.269 130 R C 1.348 177.663 176.300 0.025 0.000 1.089 130 R CA 0.234 56.346 56.100 0.021 0.000 1.177 130 R CB -0.825 29.483 30.300 0.013 0.000 1.091 130 R HN 0.869 nan 8.270 nan 0.000 0.540 131 A N 0.348 123.176 122.820 0.013 0.000 1.874 131 A HA 0.003 4.323 4.320 0.000 0.000 0.214 131 A C 0.838 178.396 177.584 -0.043 0.000 1.189 131 A CA 0.741 52.786 52.037 0.013 0.000 0.615 131 A CB 0.145 19.152 19.000 0.012 0.000 0.830 131 A HN 0.646 nan 8.150 nan 0.000 0.443 132 Q N 1.185 120.924 119.800 -0.102 0.000 2.844 132 Q HA 0.328 4.668 4.340 0.000 0.000 0.235 132 Q C -0.783 175.177 176.000 -0.066 0.000 1.336 132 Q CA -0.008 55.696 55.803 -0.166 0.000 1.026 132 Q CB 0.060 28.680 28.738 -0.196 0.000 1.513 132 Q HN 0.296 nan 8.270 nan 0.000 0.577 133 V N 1.552 121.453 119.914 -0.022 0.000 2.607 133 V HA 0.201 4.321 4.120 0.000 0.000 0.289 133 V C 0.796 176.898 176.094 0.013 0.000 1.053 133 V CA -0.568 61.739 62.300 0.012 0.000 0.996 133 V CB 1.166 33.014 31.823 0.042 0.000 0.995 133 V HN 0.402 nan 8.190 nan 0.000 0.476 134 K N 2.268 122.680 120.400 0.019 0.000 2.202 134 K HA 0.575 4.895 4.320 0.000 0.000 0.264 134 K C 0.214 176.834 176.600 0.032 0.000 1.010 134 K CA -0.196 56.107 56.287 0.027 0.000 0.940 134 K CB 0.944 33.461 32.500 0.030 0.000 0.983 134 K HN 0.878 nan 8.250 nan 0.000 0.475 135 A N 3.738 126.579 122.820 0.035 0.000 2.371 135 A HA 0.272 4.592 4.320 0.000 0.000 0.257 135 A C -2.146 175.456 177.584 0.029 0.000 1.089 135 A CA -1.341 50.715 52.037 0.033 0.000 0.794 135 A CB -0.348 18.670 19.000 0.030 0.000 1.029 135 A HN 0.453 nan 8.150 nan 0.000 0.488 136 P HA 0.029 nan 4.420 nan 0.000 0.255 136 P C 0.788 178.101 177.300 0.022 0.000 1.161 136 P CA 1.080 64.194 63.100 0.022 0.000 0.768 136 P CB 0.032 31.744 31.700 0.021 0.000 0.746 137 G N 2.403 111.215 108.800 0.020 0.000 2.590 137 G HA2 0.024 3.985 3.960 0.000 0.000 0.276 137 G HA3 0.024 3.985 3.960 0.000 0.000 0.276 137 G C 1.078 175.989 174.900 0.019 0.000 1.337 137 G CA -0.495 44.618 45.100 0.021 0.000 1.030 137 G HN 0.360 nan 8.290 nan 0.000 0.534 138 I N -0.778 119.803 120.570 0.019 0.000 2.614 138 I HA -0.057 4.113 4.170 0.000 0.000 0.258 138 I C 2.366 178.490 176.117 0.012 0.000 1.189 138 I CA 0.523 61.833 61.300 0.016 0.000 1.462 138 I CB -0.271 37.739 38.000 0.017 0.000 1.092 138 I HN 0.285 nan 8.210 nan 0.000 0.442 139 L N 1.354 122.584 121.223 0.011 0.000 2.071 139 L HA 0.117 4.457 4.340 0.000 0.000 0.201 139 L C -1.010 175.865 176.870 0.007 0.000 1.076 139 L CA 1.326 56.171 54.840 0.008 0.000 0.755 139 L CB -1.344 40.719 42.059 0.007 0.000 0.915 139 L HN 0.110 nan 8.230 nan 0.000 0.445 140 P HA 0.108 nan 4.420 nan 0.000 0.225 140 P C -0.814 176.492 177.300 0.010 0.000 1.768 140 P CA 0.326 63.431 63.100 0.007 0.000 0.943 140 P CB -0.178 31.526 31.700 0.007 0.000 1.936 141 R N 0.031 120.537 120.500 0.010 0.000 2.808 141 R HA 0.848 5.188 4.340 0.000 0.000 0.272 141 R C 0.054 176.361 176.300 0.012 0.000 0.995 141 R CA -0.734 55.374 56.100 0.013 0.000 0.917 141 R CB 2.003 32.311 30.300 0.013 0.000 1.217 141 R HN 0.071 nan 8.270 nan 0.000 0.471 142 R N 0.472 120.983 120.500 0.019 0.000 2.837 142 R HA 0.547 4.887 4.340 0.000 0.000 0.271 142 R C -0.509 175.811 176.300 0.033 0.000 0.993 142 R CA -0.761 55.351 56.100 0.021 0.000 0.931 142 R CB 1.452 31.773 30.300 0.037 0.000 1.206 142 R HN 0.681 nan 8.270 nan 0.000 0.474 143 S N 0.507 116.221 115.700 0.025 0.000 2.560 143 S HA 0.248 4.718 4.470 0.000 0.000 0.284 143 S C 0.304 174.975 174.600 0.118 0.000 1.327 143 S CA -0.416 57.808 58.200 0.040 0.000 1.055 143 S CB 1.007 64.212 63.200 0.008 0.000 0.868 143 S HN 0.555 nan 8.310 nan 0.000 0.506 144 V N 5.519 125.479 119.914 0.077 0.000 2.370 144 V HA 0.153 4.273 4.120 0.000 0.000 0.257 144 V C 1.190 177.333 176.094 0.081 0.000 1.064 144 V CA -0.055 62.276 62.300 0.052 0.000 0.975 144 V CB -0.550 31.267 31.823 -0.011 0.000 1.067 144 V HN 1.041 nan 8.190 nan 0.000 0.485 145 H N 2.004 121.039 119.070 -0.059 0.000 3.255 145 H HA 0.302 4.858 4.556 0.000 0.000 0.256 145 H C 0.213 175.501 175.328 -0.067 0.000 1.049 145 H CA -0.458 55.559 56.048 -0.052 0.000 1.202 145 H CB 0.628 30.366 29.762 -0.039 0.000 1.497 145 H HN 0.560 nan 8.280 nan 0.000 0.503 146 E N 3.962 123.771 120.200 -0.651 0.000 2.223 146 E HA 0.261 4.611 4.350 0.000 0.000 0.282 146 E C -2.578 173.841 176.600 -0.302 0.000 1.046 146 E CA -1.998 54.097 56.400 -0.509 0.000 0.857 146 E CB 1.343 30.709 29.700 -0.556 0.000 1.055 146 E HN 0.273 nan 8.360 nan 0.000 0.409 147 P HA 0.026 nan 4.420 nan 0.000 0.281 147 P C -0.810 176.347 177.300 -0.239 0.000 1.286 147 P CA -0.260 62.727 63.100 -0.189 0.000 0.772 147 P CB 0.685 32.300 31.700 -0.141 0.000 0.862 148 V N 5.453 125.244 119.914 -0.205 0.000 2.338 148 V HA 0.077 4.197 4.120 0.000 0.000 0.255 148 V C 0.700 176.699 176.094 -0.158 0.000 1.082 148 V CA -0.077 62.095 62.300 -0.214 0.000 0.951 148 V CB -0.396 31.329 31.823 -0.164 0.000 1.102 148 V HN 0.505 nan 8.190 nan 0.000 0.489 149 Q N 2.295 121.977 119.800 -0.197 0.000 2.271 149 Q HA 0.105 4.445 4.340 0.000 0.000 0.273 149 Q C 1.458 177.464 176.000 0.011 0.000 1.051 149 Q CA 0.392 56.156 55.803 -0.065 0.000 0.901 149 Q CB 0.924 29.665 28.738 0.006 0.000 1.174 149 Q HN 0.910 nan 8.270 nan 0.000 0.385 150 T N -0.892 113.675 114.554 0.021 0.000 3.067 150 T HA 0.140 4.490 4.350 0.000 0.000 0.257 150 T C 1.431 176.168 174.700 0.061 0.000 1.105 150 T CA 0.397 62.518 62.100 0.035 0.000 1.104 150 T CB 0.085 68.961 68.868 0.013 0.000 0.925 150 T HN 0.864 nan 8.240 nan 0.000 0.498 151 G N 1.446 110.292 108.800 0.077 0.000 2.212 151 G HA2 -0.237 3.723 3.960 0.000 0.000 0.266 151 G HA3 -0.237 3.723 3.960 0.000 0.000 0.266 151 G C 0.016 174.940 174.900 0.040 0.000 0.978 151 G CA 0.355 45.499 45.100 0.074 0.000 0.632 151 G HN 0.644 nan 8.290 nan 0.000 0.537 152 L N 1.523 122.762 121.223 0.028 0.000 2.282 152 L HA 0.318 4.658 4.340 0.000 0.000 0.287 152 L C 1.919 178.799 176.870 0.016 0.000 1.075 152 L CA -0.191 54.657 54.840 0.013 0.000 0.839 152 L CB 0.988 43.048 42.059 0.003 0.000 1.219 152 L HN 0.359 nan 8.230 nan 0.000 0.434 153 K N 2.120 122.531 120.400 0.018 0.000 2.228 153 K HA -0.244 4.076 4.320 0.000 0.000 0.205 153 K C 1.703 178.315 176.600 0.020 0.000 1.045 153 K CA 1.528 57.828 56.287 0.023 0.000 0.931 153 K CB -0.266 32.250 32.500 0.027 0.000 0.727 153 K HN 0.624 nan 8.250 nan 0.000 0.458 154 A N 1.826 124.655 122.820 0.014 0.000 1.855 154 A HA -0.072 4.248 4.320 0.000 0.000 0.215 154 A C 2.485 180.077 177.584 0.012 0.000 1.191 154 A CA 1.609 53.653 52.037 0.013 0.000 0.613 154 A CB -0.739 18.264 19.000 0.005 0.000 0.829 154 A HN 0.131 nan 8.150 nan 0.000 0.442 155 V N 0.802 120.721 119.914 0.009 0.000 2.270 155 V HA -0.223 3.897 4.120 0.000 0.000 0.245 155 V C 2.182 178.280 176.094 0.007 0.000 1.043 155 V CA 2.278 64.582 62.300 0.007 0.000 1.014 155 V CB -0.858 30.967 31.823 0.004 0.000 0.645 155 V HN 0.516 nan 8.190 nan 0.000 0.447 156 D N 0.395 120.801 120.400 0.009 0.000 2.144 156 D HA -0.118 4.522 4.640 0.000 0.000 0.199 156 D C 2.167 178.473 176.300 0.010 0.000 0.984 156 D CA 1.640 55.644 54.000 0.008 0.000 0.834 156 D CB -0.206 40.603 40.800 0.015 0.000 0.955 156 D HN 0.462 nan 8.370 nan 0.000 0.465 157 A N 0.440 123.269 122.820 0.016 0.000 1.872 157 A HA -0.030 4.290 4.320 0.000 0.000 0.214 157 A C 2.361 179.956 177.584 0.018 0.000 1.187 157 A CA 0.763 52.812 52.037 0.019 0.000 0.614 157 A CB -0.485 18.530 19.000 0.024 0.000 0.826 157 A HN 0.149 nan 8.150 nan 0.000 0.442 158 L N -0.546 120.687 121.223 0.017 0.000 2.130 158 L HA 0.057 4.397 4.340 0.000 0.000 0.200 158 L C 0.515 177.393 176.870 0.013 0.000 1.075 158 L CA 0.734 55.585 54.840 0.019 0.000 0.768 158 L CB -0.087 41.985 42.059 0.022 0.000 0.933 158 L HN 0.278 nan 8.230 nan 0.000 0.451 159 V N -2.058 117.861 119.914 0.008 0.000 2.225 159 V HA 0.394 4.514 4.120 0.000 0.000 0.264 159 V C -2.686 173.406 176.094 -0.004 0.000 1.067 159 V CA -2.086 60.215 62.300 0.003 0.000 0.903 159 V CB -0.177 31.648 31.823 0.003 0.000 1.136 159 V HN -0.032 nan 8.190 nan 0.000 0.456 160 P HA 0.345 nan 4.420 nan 0.000 0.271 160 P C -0.181 177.103 177.300 -0.026 0.000 1.226 160 P CA 0.392 63.483 63.100 -0.016 0.000 0.765 160 P CB 0.710 32.402 31.700 -0.013 0.000 0.835 161 I N 2.454 123.001 120.570 -0.038 0.000 2.428 161 I HA 0.519 4.689 4.170 0.000 0.000 0.296 161 I C 1.187 177.258 176.117 -0.077 0.000 0.985 161 I CA -0.125 61.145 61.300 -0.050 0.000 1.260 161 I CB 1.601 39.573 38.000 -0.047 0.000 1.389 161 I HN 0.349 nan 8.210 nan 0.000 0.484 162 G N 2.579 111.329 108.800 -0.082 0.000 2.537 162 G HA2 0.669 4.629 3.960 0.000 0.000 0.323 162 G HA3 0.669 4.629 3.960 0.000 0.000 0.323 162 G C -0.486 174.327 174.900 -0.145 0.000 1.207 162 G CA -0.776 44.254 45.100 -0.117 0.000 0.976 162 G HN 0.694 nan 8.290 nan 0.000 0.487 163 R N -0.565 119.810 120.500 -0.209 0.000 2.309 163 R HA 0.570 4.910 4.340 0.000 0.000 0.331 163 R C 1.145 177.330 176.300 -0.190 0.000 1.116 163 R CA 0.554 56.499 56.100 -0.257 0.000 0.970 163 R CB -0.453 29.581 30.300 -0.444 0.000 1.024 163 R HN 2.521 nan 8.270 nan 0.000 0.472 164 G N 0.218 108.944 108.800 -0.124 0.000 2.229 164 G HA2 -0.212 3.748 3.960 0.000 0.000 0.189 164 G HA3 -0.212 3.748 3.960 0.000 0.000 0.189 164 G C 0.373 175.246 174.900 -0.045 0.000 1.000 164 G CA 0.115 45.172 45.100 -0.071 0.000 0.663 164 G HN 0.934 nan 8.290 nan 0.000 0.493 165 Q N 0.385 120.153 119.800 -0.052 0.000 2.354 165 Q HA 0.607 4.947 4.340 0.000 0.000 0.244 165 Q C -0.075 175.909 176.000 -0.027 0.000 0.969 165 Q CA -0.351 55.431 55.803 -0.036 0.000 0.885 165 Q CB 0.437 29.150 28.738 -0.041 0.000 1.241 165 Q HN 0.288 nan 8.270 nan 0.000 0.461 166 R N 2.264 122.751 120.500 -0.021 0.000 2.294 166 R HA 0.323 4.663 4.340 0.000 0.000 0.319 166 R C -1.220 175.066 176.300 -0.023 0.000 0.984 166 R CA -0.459 55.629 56.100 -0.021 0.000 0.861 166 R CB 1.380 31.660 30.300 -0.032 0.000 1.104 166 R HN 0.449 nan 8.270 nan 0.000 0.451 167 E N 2.442 122.630 120.200 -0.020 0.000 2.220 167 E HA 0.245 4.595 4.350 0.000 0.000 0.256 167 E C -1.563 175.023 176.600 -0.023 0.000 0.881 167 E CA -0.882 55.507 56.400 -0.019 0.000 0.766 167 E CB 0.922 30.612 29.700 -0.017 0.000 1.187 167 E HN 0.336 nan 8.360 nan 0.000 0.419 168 L N 5.438 126.644 121.223 -0.029 0.000 2.367 168 L HA 0.449 4.789 4.340 0.000 0.000 0.275 168 L C -0.833 176.023 176.870 -0.023 0.000 1.129 168 L CA 0.228 55.046 54.840 -0.038 0.000 0.839 168 L CB 0.322 42.355 42.059 -0.045 0.000 1.133 168 L HN 0.620 nan 8.230 nan 0.000 0.453 169 I N 6.841 127.397 120.570 -0.023 0.000 2.336 169 I HA 0.430 4.600 4.170 0.000 0.000 0.292 169 I C -0.347 175.761 176.117 -0.016 0.000 0.991 169 I CA -0.205 61.088 61.300 -0.012 0.000 1.227 169 I CB 1.394 39.392 38.000 -0.003 0.000 1.366 169 I HN 0.582 nan 8.210 nan 0.000 0.466 170 I N 5.150 125.715 120.570 -0.008 0.000 2.656 170 I HA 0.833 5.003 4.170 0.000 0.000 0.292 170 I C -0.399 175.720 176.117 0.002 0.000 1.144 170 I CA 0.051 61.347 61.300 -0.007 0.000 1.038 170 I CB 1.979 39.973 38.000 -0.010 0.000 1.244 170 I HN 0.706 nan 8.210 nan 0.000 0.420 171 G N 4.961 113.762 108.800 0.003 0.000 2.340 171 G HA2 0.217 4.177 3.960 0.000 0.000 0.299 171 G HA3 0.217 4.177 3.960 0.000 0.000 0.299 171 G C -1.982 172.920 174.900 0.003 0.000 1.291 171 G CA -0.679 44.425 45.100 0.006 0.000 0.841 171 G HN 0.464 nan 8.290 nan 0.000 0.500 172 D N 0.240 120.639 120.400 -0.001 0.000 2.433 172 D HA 0.413 5.053 4.640 0.000 0.000 0.255 172 D C 1.037 177.323 176.300 -0.022 0.000 1.226 172 D CA -0.230 53.767 54.000 -0.005 0.000 1.015 172 D CB 0.530 41.329 40.800 -0.002 0.000 1.091 172 D HN 0.671 nan 8.370 nan 0.000 0.527 173 R N 0.073 120.562 120.500 -0.019 0.000 2.784 173 R HA 0.050 4.390 4.340 0.000 0.000 0.266 173 R C -0.011 176.244 176.300 -0.075 0.000 1.044 173 R CA -0.394 55.689 56.100 -0.029 0.000 1.151 173 R CB -0.006 30.286 30.300 -0.012 0.000 1.037 173 R HN 0.187 nan 8.270 nan 0.000 0.478 174 Q N 0.048 119.797 119.800 -0.085 0.000 2.406 174 Q HA -0.170 4.170 4.340 0.000 0.000 0.339 174 Q C -0.028 175.756 176.000 -0.359 0.000 1.337 174 Q CA 1.738 57.442 55.803 -0.165 0.000 0.985 174 Q CB -1.375 27.282 28.738 -0.135 0.000 1.216 174 Q HN 0.979 nan 8.270 nan 0.000 0.415 175 T N -5.089 109.319 114.554 -0.244 0.000 3.132 175 T HA 0.458 4.808 4.350 0.000 0.000 0.274 175 T C 1.003 175.690 174.700 -0.022 0.000 1.011 175 T CA 0.467 62.415 62.100 -0.253 0.000 0.899 175 T CB 1.036 69.841 68.868 -0.104 0.000 1.089 175 T HN 0.751 nan 8.240 nan 0.000 0.543 176 G N 1.949 110.750 108.800 0.002 0.000 2.142 176 G HA2 -0.267 3.693 3.960 0.000 0.000 0.225 176 G HA3 -0.267 3.693 3.960 0.000 0.000 0.225 176 G C 0.689 175.614 174.900 0.041 0.000 1.015 176 G CA 0.368 45.520 45.100 0.086 0.000 0.716 176 G HN 0.538 nan 8.290 nan 0.000 0.508 177 K N -0.466 119.947 120.400 0.022 0.000 1.973 177 K HA -0.047 4.273 4.320 0.000 0.000 0.210 177 K C 2.681 179.302 176.600 0.035 0.000 1.045 177 K CA 1.867 58.167 56.287 0.022 0.000 0.937 177 K CB -0.494 32.014 32.500 0.015 0.000 0.721 177 K HN 0.330 nan 8.250 nan 0.000 0.438 178 T N 1.711 116.295 114.554 0.050 0.000 2.665 178 T HA -0.241 4.109 4.350 0.000 0.000 0.268 178 T C 2.073 176.805 174.700 0.053 0.000 1.035 178 T CA 1.551 63.703 62.100 0.086 0.000 1.151 178 T CB -0.552 68.377 68.868 0.102 0.000 0.862 178 T HN 0.361 nan 8.240 nan 0.000 0.438 179 A N 1.220 124.047 122.820 0.012 0.000 1.915 179 A HA -0.175 4.145 4.320 0.000 0.000 0.220 179 A C 2.640 180.199 177.584 -0.042 0.000 1.198 179 A CA 2.233 54.242 52.037 -0.048 0.000 0.647 179 A CB -1.339 17.624 19.000 -0.063 0.000 0.825 179 A HN 0.399 nan 8.150 nan 0.000 0.456 180 V N -0.515 119.393 119.914 -0.010 0.000 2.407 180 V HA -0.216 3.904 4.120 0.000 0.000 0.248 180 V C 2.986 179.088 176.094 0.013 0.000 1.055 180 V CA 1.954 64.251 62.300 -0.004 0.000 1.049 180 V CB -1.256 30.570 31.823 0.005 0.000 0.662 180 V HN 0.664 nan 8.190 nan 0.000 0.455 181 A N -0.351 122.492 122.820 0.038 0.000 1.969 181 A HA -0.124 4.196 4.320 0.000 0.000 0.218 181 A C 2.122 179.747 177.584 0.068 0.000 1.169 181 A CA 1.696 53.773 52.037 0.066 0.000 0.635 181 A CB -0.429 18.640 19.000 0.115 0.000 0.810 181 A HN 0.432 nan 8.150 nan 0.000 0.445 182 L N 0.125 121.375 121.223 0.044 0.000 2.044 182 L HA -0.067 4.273 4.340 0.000 0.000 0.205 182 L C 1.238 178.117 176.870 0.015 0.000 1.075 182 L CA 2.341 57.193 54.840 0.019 0.000 0.747 182 L CB -0.698 41.361 42.059 -0.001 0.000 0.903 182 L HN 0.304 nan 8.230 nan 0.000 0.435 183 D N -1.491 118.904 120.400 -0.008 0.000 2.312 183 D HA -0.092 4.548 4.640 0.000 0.000 0.211 183 D C 1.909 178.230 176.300 0.035 0.000 0.964 183 D CA 1.159 55.159 54.000 0.000 0.000 0.877 183 D CB 0.072 40.850 40.800 -0.037 0.000 0.924 183 D HN 0.353 nan 8.370 nan 0.000 0.515 184 T N -0.043 114.534 114.554 0.039 0.000 2.937 184 T HA 0.078 4.428 4.350 0.000 0.000 0.260 184 T C 2.106 176.851 174.700 0.075 0.000 1.051 184 T CA 0.233 62.364 62.100 0.051 0.000 1.141 184 T CB 0.073 68.959 68.868 0.031 0.000 0.879 184 T HN 0.135 nan 8.240 nan 0.000 0.459 185 I N 1.000 121.623 120.570 0.087 0.000 2.179 185 I HA -0.134 4.036 4.170 0.000 0.000 0.242 185 I C 2.264 178.501 176.117 0.199 0.000 1.088 185 I CA 1.205 62.591 61.300 0.143 0.000 1.357 185 I CB -0.430 37.650 38.000 0.133 0.000 1.051 185 I HN 0.177 nan 8.210 nan 0.000 0.409 186 L N 0.411 121.713 121.223 0.132 0.000 1.994 186 L HA -0.253 4.087 4.340 0.000 0.000 0.208 186 L C 2.317 179.276 176.870 0.149 0.000 1.071 186 L CA 1.782 56.703 54.840 0.135 0.000 0.745 186 L CB -0.770 41.315 42.059 0.043 0.000 0.892 186 L HN 0.304 nan 8.230 nan 0.000 0.431 187 N N -0.440 118.330 118.700 0.117 0.000 2.417 187 N HA -0.220 4.520 4.740 0.000 0.000 0.187 187 N C 1.735 177.343 175.510 0.164 0.000 1.027 187 N CA 0.849 53.970 53.050 0.119 0.000 0.891 187 N CB 0.094 38.668 38.487 0.145 0.000 0.956 187 N HN 0.240 nan 8.380 nan 0.000 0.442 188 Q N 0.168 120.066 119.800 0.164 0.000 2.436 188 Q HA -0.094 4.246 4.340 0.000 0.000 0.209 188 Q C 1.284 177.254 176.000 -0.050 0.000 0.965 188 Q CA 0.724 56.610 55.803 0.139 0.000 0.910 188 Q CB -0.237 28.431 28.738 -0.118 0.000 0.980 188 Q HN 0.716 nan 8.270 nan 0.000 0.491 189 K N 0.014 120.407 120.400 -0.012 0.000 2.585 189 K HA -0.052 4.268 4.320 0.000 0.000 0.194 189 K C 1.512 178.013 176.600 -0.165 0.000 1.037 189 K CA 0.698 56.985 56.287 0.000 0.000 0.964 189 K CB -0.023 32.559 32.500 0.137 0.000 0.787 189 K HN 0.038 nan 8.250 nan 0.000 0.488 190 R N -0.413 119.857 120.500 -0.383 0.000 2.200 190 R HA 0.036 4.376 4.340 0.000 0.000 0.208 190 R C 1.077 176.845 176.300 -0.886 0.000 1.033 190 R CA 1.043 56.643 56.100 -0.834 0.000 1.000 190 R CB 0.066 29.415 30.300 -1.585 0.000 0.906 190 R HN 0.438 nan 8.270 nan 0.000 0.462 191 W N -0.917 120.306 121.300 -0.128 0.000 2.835 191 W HA 0.233 4.893 4.660 0.000 0.000 0.278 191 W C 0.872 177.280 176.519 -0.185 0.000 1.075 191 W CA -0.526 56.736 57.345 -0.138 0.000 1.439 191 W CB -0.124 29.250 29.460 -0.142 0.000 0.927 191 W HN 0.014 nan 8.180 nan 0.000 0.604 192 N N 1.414 120.077 118.700 -0.061 0.000 2.396 192 N HA -0.115 4.625 4.740 0.000 0.000 0.180 192 N C 1.206 176.687 175.510 -0.049 0.000 1.028 192 N CA 0.966 53.900 53.050 -0.193 0.000 0.893 192 N CB -0.382 37.788 38.487 -0.529 0.000 0.967 192 N HN 0.100 nan 8.380 nan 0.000 0.440 193 N N 0.498 119.181 118.700 -0.029 0.000 2.092 193 N HA -0.021 4.719 4.740 0.000 0.000 0.189 193 N C 1.078 176.590 175.510 0.002 0.000 1.040 193 N CA 0.691 53.742 53.050 0.000 0.000 0.845 193 N CB -0.848 37.624 38.487 -0.024 0.000 1.017 193 N HN 0.135 nan 8.380 nan 0.000 0.426 194 G N 0.000 108.793 108.800 -0.012 0.000 2.559 194 G HA2 0.102 4.062 3.960 0.000 0.000 0.235 194 G HA3 0.102 4.062 3.960 0.000 0.000 0.235 194 G C 0.773 175.688 174.900 0.024 0.000 1.266 194 G CA 0.247 45.350 45.100 0.004 0.000 0.847 194 G HN 0.320 nan 8.290 nan 0.000 0.583 195 S N 0.148 115.864 115.700 0.027 0.000 2.701 195 S HA 0.001 4.471 4.470 0.000 0.000 0.220 195 S C 0.502 175.125 174.600 0.037 0.000 0.954 195 S CA 0.046 58.269 58.200 0.037 0.000 0.936 195 S CB 0.104 63.325 63.200 0.035 0.000 0.777 195 S HN 0.523 nan 8.310 nan 0.000 0.518 196 D N 1.980 122.401 120.400 0.036 0.000 2.338 196 D HA 0.192 4.832 4.640 0.000 0.000 0.255 196 D C 0.864 177.179 176.300 0.025 0.000 1.237 196 D CA -0.002 54.018 54.000 0.033 0.000 0.883 196 D CB 1.314 42.140 40.800 0.044 0.000 1.087 196 D HN 0.281 nan 8.370 nan 0.000 0.485 197 E N 1.878 122.090 120.200 0.019 0.000 2.158 197 E HA -0.128 4.222 4.350 0.000 0.000 0.191 197 E C 1.810 178.381 176.600 -0.048 0.000 0.982 197 E CA 1.119 57.529 56.400 0.017 0.000 0.823 197 E CB 0.058 29.785 29.700 0.045 0.000 0.766 197 E HN 0.445 nan 8.360 nan 0.000 0.468 198 S N -0.285 115.375 115.700 -0.067 0.000 2.368 198 S HA -0.177 4.293 4.470 0.000 0.000 0.225 198 S C 2.267 176.796 174.600 -0.119 0.000 1.030 198 S CA 1.687 59.807 58.200 -0.134 0.000 0.999 198 S CB -0.683 62.480 63.200 -0.061 0.000 0.844 198 S HN 0.292 nan 8.310 nan 0.000 0.459 199 K N 1.109 121.471 120.400 -0.063 0.000 2.365 199 K HA 0.322 4.642 4.320 0.000 0.000 0.199 199 K C 1.245 177.776 176.600 -0.115 0.000 1.045 199 K CA 1.251 57.481 56.287 -0.095 0.000 0.962 199 K CB -1.513 30.980 32.500 -0.011 0.000 0.759 199 K HN 0.937 nan 8.250 nan 0.000 0.469 200 K N 0.372 120.710 120.400 -0.104 0.000 2.339 200 K HA 0.718 5.038 4.320 0.000 0.000 0.286 200 K C -0.070 176.349 176.600 -0.302 0.000 1.050 200 K CA 0.256 56.414 56.287 -0.214 0.000 0.956 200 K CB -0.328 32.005 32.500 -0.278 0.000 0.990 200 K HN 1.072 nan 8.250 nan 0.000 0.475 201 L N 2.969 123.984 121.223 -0.346 0.000 2.325 201 L HA 0.803 5.143 4.340 0.000 0.000 0.281 201 L C -0.609 176.029 176.870 -0.387 0.000 1.004 201 L CA -1.282 53.401 54.840 -0.262 0.000 0.823 201 L CB 0.107 42.070 42.059 -0.160 0.000 1.236 201 L HN 0.792 nan 8.230 nan 0.000 0.415 202 Y N 1.643 121.827 120.300 -0.193 0.000 2.310 202 Y HA 0.630 5.180 4.550 0.000 0.000 0.326 202 Y C 0.697 176.458 175.900 -0.232 0.000 1.151 202 Y CA -0.603 57.341 58.100 -0.259 0.000 1.195 202 Y CB 1.525 39.615 38.460 -0.617 0.000 1.210 202 Y HN 0.763 nan 8.280 nan 0.000 0.483 203 C N 2.732 122.085 119.300 0.090 0.000 2.411 203 C HA 0.745 5.205 4.460 0.000 0.000 0.330 203 C C -0.363 174.651 174.990 0.040 0.000 1.224 203 C CA -1.141 57.915 59.018 0.064 0.000 1.770 203 C CB 0.695 28.528 27.740 0.156 0.000 2.297 203 C HN 0.558 nan 8.230 nan 0.000 0.507 204 V N 2.952 122.864 119.914 -0.003 0.000 2.409 204 V HA 0.282 4.402 4.120 0.000 0.000 0.290 204 V C -0.957 175.123 176.094 -0.025 0.000 1.017 204 V CA -0.516 61.778 62.300 -0.009 0.000 0.841 204 V CB 0.897 32.692 31.823 -0.048 0.000 1.003 204 V HN 0.820 nan 8.190 nan 0.000 0.426 205 Y N 4.752 124.998 120.300 -0.090 0.000 2.326 205 Y HA 0.630 5.180 4.550 0.000 0.000 0.337 205 Y C -0.154 175.680 175.900 -0.109 0.000 1.023 205 Y CA -0.510 57.529 58.100 -0.102 0.000 1.143 205 Y CB 1.702 40.128 38.460 -0.055 0.000 1.183 205 Y HN 0.419 nan 8.280 nan 0.000 0.485 206 V N 6.533 126.128 119.914 -0.533 0.000 2.275 206 V HA 0.514 4.634 4.120 0.000 0.000 0.272 206 V C -0.057 175.818 176.094 -0.365 0.000 1.028 206 V CA -0.853 61.241 62.300 -0.343 0.000 0.810 206 V CB 0.564 32.178 31.823 -0.350 0.000 1.043 206 V HN 0.935 nan 8.190 nan 0.000 0.453 207 A N 5.147 127.900 122.820 -0.112 0.000 2.343 207 A HA 0.665 4.985 4.320 0.000 0.000 0.305 207 A C -0.232 177.363 177.584 0.018 0.000 1.308 207 A CA -0.234 51.810 52.037 0.012 0.000 0.949 207 A CB 0.289 19.421 19.000 0.220 0.000 1.148 207 A HN 0.656 nan 8.150 nan 0.000 0.545 208 V N 2.755 122.670 119.914 0.002 0.000 2.357 208 V HA 0.598 4.718 4.120 0.000 0.000 0.284 208 V C 1.275 177.399 176.094 0.049 0.000 1.018 208 V CA 0.499 62.817 62.300 0.030 0.000 0.841 208 V CB 0.632 32.468 31.823 0.022 0.000 0.991 208 V HN 1.694 nan 8.190 nan 0.000 0.437 209 G N 3.777 112.615 108.800 0.063 0.000 2.189 209 G HA2 -0.258 3.702 3.960 0.000 0.000 0.267 209 G HA3 -0.258 3.702 3.960 0.000 0.000 0.267 209 G C 0.286 175.222 174.900 0.060 0.000 0.975 209 G CA 0.542 45.681 45.100 0.065 0.000 0.644 209 G HN 0.669 nan 8.290 nan 0.000 0.537 210 Q N 0.278 120.117 119.800 0.064 0.000 2.471 210 Q HA 0.403 4.743 4.340 0.000 0.000 0.223 210 Q C 0.868 176.904 176.000 0.060 0.000 1.045 210 Q CA 0.317 56.160 55.803 0.067 0.000 0.956 210 Q CB 0.510 29.302 28.738 0.090 0.000 1.249 210 Q HN 0.678 nan 8.270 nan 0.000 0.549 211 K N 0.195 120.628 120.400 0.054 0.000 2.126 211 K HA 0.222 4.542 4.320 0.000 0.000 0.257 211 K C 0.446 177.073 176.600 0.045 0.000 1.007 211 K CA -0.541 55.773 56.287 0.045 0.000 0.928 211 K CB 1.076 33.599 32.500 0.038 0.000 1.013 211 K HN 0.421 nan 8.250 nan 0.000 0.473 212 R N 0.512 121.035 120.500 0.039 0.000 2.081 212 R HA -0.129 4.211 4.340 0.000 0.000 0.235 212 R C 2.224 178.540 176.300 0.027 0.000 1.131 212 R CA 2.206 58.327 56.100 0.034 0.000 0.960 212 R CB -0.286 30.031 30.300 0.029 0.000 0.856 212 R HN 0.876 nan 8.270 nan 0.000 0.436 213 S N -0.366 115.349 115.700 0.024 0.000 2.383 213 S HA -0.138 4.332 4.470 0.000 0.000 0.229 213 S C 1.880 176.491 174.600 0.018 0.000 1.030 213 S CA 1.781 59.993 58.200 0.019 0.000 1.002 213 S CB -0.396 62.815 63.200 0.019 0.000 0.829 213 S HN 0.279 nan 8.310 nan 0.000 0.467 214 T N 2.396 116.965 114.554 0.026 0.000 2.770 214 T HA 0.026 4.376 4.350 0.000 0.000 0.263 214 T C 2.028 176.738 174.700 0.017 0.000 1.039 214 T CA 1.219 63.335 62.100 0.027 0.000 1.142 214 T CB -0.497 68.396 68.868 0.041 0.000 0.868 214 T HN 0.268 nan 8.240 nan 0.000 0.435 215 V N 2.105 122.037 119.914 0.030 0.000 2.332 215 V HA -0.188 3.932 4.120 0.000 0.000 0.248 215 V C 2.929 179.018 176.094 -0.009 0.000 1.055 215 V CA 1.724 64.036 62.300 0.021 0.000 1.038 215 V CB -1.360 30.496 31.823 0.055 0.000 0.651 215 V HN 0.517 nan 8.190 nan 0.000 0.450 216 A N -0.172 122.648 122.820 0.001 0.000 1.883 216 A HA -0.288 4.032 4.320 0.000 0.000 0.217 216 A C 2.406 179.978 177.584 -0.019 0.000 1.186 216 A CA 2.805 54.838 52.037 -0.008 0.000 0.624 216 A CB -0.981 18.019 19.000 0.000 0.000 0.822 216 A HN 0.652 nan 8.150 nan 0.000 0.444 217 Q N -0.683 119.110 119.800 -0.013 0.000 2.234 217 Q HA 0.024 4.364 4.340 0.000 0.000 0.206 217 Q C 2.150 178.129 176.000 -0.036 0.000 0.980 217 Q CA 1.790 57.584 55.803 -0.016 0.000 0.869 217 Q CB -0.951 27.786 28.738 -0.001 0.000 0.912 217 Q HN 0.865 nan 8.270 nan 0.000 0.436 218 L N -0.104 121.085 121.223 -0.057 0.000 2.249 218 L HA 0.041 4.381 4.340 0.000 0.000 0.207 218 L C 2.627 179.424 176.870 -0.121 0.000 1.090 218 L CA 1.217 55.995 54.840 -0.103 0.000 0.802 218 L CB 0.251 42.207 42.059 -0.172 0.000 0.947 218 L HN 0.375 nan 8.230 nan 0.000 0.453 219 V N -2.067 117.788 119.914 -0.099 0.000 2.358 219 V HA -0.271 3.849 4.120 0.000 0.000 0.246 219 V C 2.342 178.393 176.094 -0.072 0.000 1.047 219 V CA 1.995 64.242 62.300 -0.088 0.000 1.035 219 V CB -1.220 30.566 31.823 -0.061 0.000 0.658 219 V HN 0.675 nan 8.190 nan 0.000 0.452 220 Q N 0.404 120.171 119.800 -0.056 0.000 2.096 220 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 220 Q C 2.295 178.267 176.000 -0.047 0.000 0.982 220 Q CA 2.765 58.540 55.803 -0.047 0.000 0.850 220 Q CB -0.402 28.313 28.738 -0.038 0.000 0.901 220 Q HN 0.738 nan 8.270 nan 0.000 0.422 221 T N 1.030 115.549 114.554 -0.058 0.000 2.777 221 T HA -0.098 4.252 4.350 0.000 0.000 0.266 221 T C 2.059 176.734 174.700 -0.041 0.000 1.040 221 T CA 1.696 63.758 62.100 -0.063 0.000 1.141 221 T CB -0.568 68.242 68.868 -0.096 0.000 0.868 221 T HN 0.422 nan 8.240 nan 0.000 0.444 222 L N 0.933 122.108 121.223 -0.081 0.000 2.291 222 L HA 0.181 4.521 4.340 0.000 0.000 0.214 222 L C 2.310 179.140 176.870 -0.065 0.000 1.120 222 L CA 1.880 56.664 54.840 -0.093 0.000 0.799 222 L CB -1.346 40.630 42.059 -0.139 0.000 0.925 222 L HN 0.368 nan 8.230 nan 0.000 0.446 223 E N -0.663 119.503 120.200 -0.056 0.000 2.028 223 E HA -0.268 4.082 4.350 0.000 0.000 0.191 223 E C 2.265 178.849 176.600 -0.027 0.000 0.988 223 E CA 1.335 57.703 56.400 -0.053 0.000 0.799 223 E CB -0.071 29.598 29.700 -0.052 0.000 0.755 223 E HN 0.845 nan 8.360 nan 0.000 0.447 224 Q N -0.392 119.402 119.800 -0.009 0.000 2.443 224 Q HA -0.133 4.208 4.340 0.000 0.000 0.213 224 Q C 1.106 177.035 176.000 -0.118 0.000 0.982 224 Q CA 0.816 56.586 55.803 -0.055 0.000 0.894 224 Q CB 0.036 28.729 28.738 -0.076 0.000 0.947 224 Q HN 0.432 nan 8.270 nan 0.000 0.480 225 H N -0.724 118.296 119.070 -0.083 0.000 2.594 225 H HA 0.031 4.587 4.556 0.000 0.000 0.279 225 H C -0.266 175.037 175.328 -0.043 0.000 1.042 225 H CA -0.040 55.975 56.048 -0.054 0.000 1.177 225 H CB 0.600 30.340 29.762 -0.037 0.000 1.524 225 H HN 0.182 nan 8.280 nan 0.000 0.537 226 D N 0.891 121.303 120.400 0.020 0.000 2.737 226 D HA -0.184 4.456 4.640 0.000 0.000 0.238 226 D C 0.733 176.979 176.300 -0.090 0.000 1.157 226 D CA 0.647 54.631 54.000 -0.026 0.000 0.694 226 D CB -0.928 39.873 40.800 0.002 0.000 1.021 226 D HN 0.526 nan 8.370 nan 0.000 0.420 227 A N 0.527 123.214 122.820 -0.223 0.000 2.070 227 A HA 0.153 4.473 4.320 0.000 0.000 0.202 227 A C 1.879 178.942 177.584 -0.869 0.000 1.277 227 A CA 0.903 52.556 52.037 -0.639 0.000 0.872 227 A CB -0.155 18.694 19.000 -0.251 0.000 0.933 227 A HN 0.318 nan 8.150 nan 0.000 0.475 228 M N 1.787 121.149 119.600 -0.398 0.000 2.143 228 M HA -0.229 4.251 4.480 0.000 0.000 0.258 228 M C 1.893 178.046 176.300 -0.245 0.000 1.071 228 M CA 2.286 57.427 55.300 -0.265 0.000 1.088 228 M CB -0.662 31.851 32.600 -0.146 0.000 1.360 228 M HN 0.517 nan 8.290 nan 0.000 0.404 229 K N -0.671 119.579 120.400 -0.250 0.000 2.281 229 K HA -0.193 4.127 4.320 0.000 0.000 0.203 229 K C 0.785 177.411 176.600 0.043 0.000 1.046 229 K CA 1.928 58.166 56.287 -0.082 0.000 0.938 229 K CB -0.933 31.562 32.500 -0.010 0.000 0.737 229 K HN 0.637 nan 8.250 nan 0.000 0.458 230 Y N -1.140 119.225 120.300 0.107 0.000 2.660 230 Y HA 0.531 5.081 4.550 0.000 0.000 0.254 230 Y C -0.463 175.511 175.900 0.123 0.000 1.176 230 Y CA -1.280 56.928 58.100 0.179 0.000 1.195 230 Y CB 0.066 38.604 38.460 0.131 0.000 1.190 230 Y HN -0.143 nan 8.280 nan 0.000 0.535 231 S N 1.604 117.316 115.700 0.019 0.000 2.549 231 S HA 0.731 5.201 4.470 0.000 0.000 0.297 231 S C -0.551 174.077 174.600 0.046 0.000 1.115 231 S CA -0.617 57.603 58.200 0.033 0.000 1.059 231 S CB 1.288 64.445 63.200 -0.072 0.000 1.046 231 S HN 0.296 nan 8.310 nan 0.000 0.506 232 I N 3.121 123.726 120.570 0.060 0.000 2.466 232 I HA 0.430 4.600 4.170 0.000 0.000 0.289 232 I C -0.948 175.206 176.117 0.062 0.000 1.026 232 I CA -0.652 60.680 61.300 0.053 0.000 1.078 232 I CB 1.487 39.526 38.000 0.066 0.000 1.249 232 I HN 0.330 nan 8.210 nan 0.000 0.429 233 I N 6.516 127.119 120.570 0.055 0.000 2.354 233 I HA 0.391 4.561 4.170 0.000 0.000 0.292 233 I C -0.158 175.996 176.117 0.063 0.000 0.989 233 I CA -0.776 60.576 61.300 0.087 0.000 1.188 233 I CB 1.775 39.818 38.000 0.070 0.000 1.342 233 I HN 0.185 nan 8.210 nan 0.000 0.457 234 V N 5.651 125.602 119.914 0.061 0.000 2.357 234 V HA 0.630 4.750 4.120 0.000 0.000 0.284 234 V C 0.340 176.461 176.094 0.046 0.000 1.018 234 V CA -0.594 61.726 62.300 0.034 0.000 0.841 234 V CB 1.514 33.338 31.823 0.002 0.000 0.991 234 V HN 0.870 nan 8.190 nan 0.000 0.437 235 A N 4.273 127.124 122.820 0.051 0.000 2.287 235 A HA 0.888 5.208 4.320 0.000 0.000 0.317 235 A C 0.062 177.682 177.584 0.061 0.000 1.220 235 A CA -0.319 51.754 52.037 0.060 0.000 0.835 235 A CB 1.248 20.283 19.000 0.059 0.000 1.180 235 A HN 1.306 nan 8.150 nan 0.000 0.500 236 A N 3.027 125.887 122.820 0.066 0.000 2.763 236 A HA 0.611 4.931 4.320 0.000 0.000 0.325 236 A C 0.454 178.083 177.584 0.075 0.000 1.209 236 A CA 0.185 52.270 52.037 0.079 0.000 0.764 236 A CB -0.236 18.821 19.000 0.095 0.000 1.120 236 A HN 1.427 nan 8.150 nan 0.000 0.463 237 T N -0.895 113.701 114.554 0.069 0.000 2.753 237 T HA 0.494 4.844 4.350 0.000 0.000 0.309 237 T C 1.655 176.393 174.700 0.062 0.000 1.043 237 T CA 0.384 62.522 62.100 0.063 0.000 0.964 237 T CB 0.541 69.442 68.868 0.055 0.000 1.206 237 T HN 1.213 nan 8.240 nan 0.000 0.528 238 A N 0.789 123.643 122.820 0.055 0.000 1.917 238 A HA -0.078 4.242 4.320 0.000 0.000 0.219 238 A C 2.695 180.308 177.584 0.049 0.000 1.182 238 A CA 2.684 54.752 52.037 0.051 0.000 0.633 238 A CB -1.586 17.441 19.000 0.044 0.000 0.819 238 A HN 1.138 nan 8.150 nan 0.000 0.448 239 S N -0.397 115.330 115.700 0.046 0.000 2.414 239 S HA 0.013 4.483 4.470 0.000 0.000 0.227 239 S C 0.765 175.394 174.600 0.049 0.000 1.022 239 S CA 0.294 58.519 58.200 0.042 0.000 0.958 239 S CB -0.370 62.851 63.200 0.036 0.000 0.797 239 S HN 0.628 nan 8.310 nan 0.000 0.493 240 E N 1.634 121.871 120.200 0.061 0.000 2.467 240 E HA 0.333 4.683 4.350 0.000 0.000 0.264 240 E C 0.196 176.845 176.600 0.082 0.000 1.020 240 E CA -0.045 56.401 56.400 0.076 0.000 0.945 240 E CB 0.315 30.069 29.700 0.090 0.000 0.942 240 E HN 0.555 nan 8.360 nan 0.000 0.449 241 A N 2.734 125.609 122.820 0.092 0.000 2.546 241 A HA 0.145 4.465 4.320 0.000 0.000 0.243 241 A C 1.357 178.990 177.584 0.082 0.000 1.063 241 A CA 0.648 52.729 52.037 0.073 0.000 0.757 241 A CB 0.295 19.336 19.000 0.068 0.000 0.991 241 A HN 0.815 nan 8.150 nan 0.000 0.503 242 A N 4.249 127.103 122.820 0.057 0.000 1.940 242 A HA -0.158 4.162 4.320 0.000 0.000 0.221 242 A C -0.156 177.493 177.584 0.109 0.000 1.190 242 A CA 2.347 54.429 52.037 0.075 0.000 0.647 242 A CB -1.716 17.311 19.000 0.045 0.000 0.821 242 A HN 0.658 nan 8.150 nan 0.000 0.457 243 P HA -0.053 nan 4.420 nan 0.000 0.223 243 P C 1.340 178.787 177.300 0.245 0.000 1.151 243 P CA 0.652 63.787 63.100 0.058 0.000 0.787 243 P CB -0.076 31.501 31.700 -0.206 0.000 0.788 244 L N -0.922 120.449 121.223 0.247 0.000 2.109 244 L HA -0.161 4.179 4.340 0.000 0.000 0.207 244 L C 2.495 179.513 176.870 0.247 0.000 1.086 244 L CA 1.468 56.500 54.840 0.321 0.000 0.760 244 L CB -0.782 41.449 42.059 0.287 0.000 0.910 244 L HN -0.010 nan 8.230 nan 0.000 0.437 245 Q N -1.148 118.776 119.800 0.207 0.000 2.167 245 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 245 Q C 2.030 178.142 176.000 0.186 0.000 0.970 245 Q CA 1.633 57.536 55.803 0.167 0.000 0.855 245 Q CB -0.343 28.482 28.738 0.145 0.000 0.911 245 Q HN 0.529 nan 8.270 nan 0.000 0.438 246 Y N 0.837 121.213 120.300 0.126 0.000 2.207 246 Y HA -0.242 4.308 4.550 0.000 0.000 0.287 246 Y C 1.772 177.782 175.900 0.184 0.000 1.156 246 Y CA 1.070 59.247 58.100 0.127 0.000 1.182 246 Y CB -0.005 38.535 38.460 0.134 0.000 0.979 246 Y HN 0.072 nan 8.280 nan 0.000 0.521 247 L N 0.345 121.627 121.223 0.098 0.000 2.202 247 L HA 0.221 4.561 4.340 0.000 0.000 0.205 247 L C 2.606 179.534 176.870 0.098 0.000 1.083 247 L CA 1.529 56.418 54.840 0.082 0.000 0.790 247 L CB -1.504 40.729 42.059 0.290 0.000 0.942 247 L HN 0.321 nan 8.230 nan 0.000 0.452 248 A N 0.749 123.623 122.820 0.090 0.000 1.915 248 A HA -0.212 4.108 4.320 0.000 0.000 0.220 248 A C -0.156 177.442 177.584 0.022 0.000 1.198 248 A CA 2.446 54.520 52.037 0.061 0.000 0.647 248 A CB -2.073 16.962 19.000 0.059 0.000 0.825 248 A HN 0.387 nan 8.150 nan 0.000 0.456 249 P HA -0.066 nan 4.420 nan 0.000 0.219 249 P C 0.960 178.245 177.300 -0.026 0.000 1.150 249 P CA 0.834 63.933 63.100 -0.001 0.000 0.814 249 P CB -0.133 31.448 31.700 -0.198 0.000 0.787 250 F N -0.068 119.863 119.950 -0.032 0.000 2.206 250 F HA -0.112 4.415 4.527 0.000 0.000 0.298 250 F C 2.429 178.225 175.800 -0.007 0.000 1.090 250 F CA 1.824 59.788 58.000 -0.060 0.000 1.323 250 F CB -1.730 37.164 39.000 -0.176 0.000 1.028 250 F HN -0.019 nan 8.300 nan 0.000 0.492 251 T N -2.257 112.404 114.554 0.178 0.000 2.851 251 T HA -0.011 4.339 4.350 0.000 0.000 0.262 251 T C 2.225 176.976 174.700 0.086 0.000 1.043 251 T CA 0.838 63.006 62.100 0.113 0.000 1.140 251 T CB -0.851 68.066 68.868 0.083 0.000 0.872 251 T HN 0.130 nan 8.240 nan 0.000 0.446 252 A N 1.995 124.851 122.820 0.060 0.000 1.940 252 A HA 0.237 4.557 4.320 0.000 0.000 0.219 252 A C 2.803 180.410 177.584 0.039 0.000 1.176 252 A CA 1.998 54.046 52.037 0.017 0.000 0.631 252 A CB -1.408 17.551 19.000 -0.068 0.000 0.814 252 A HN 0.786 nan 8.150 nan 0.000 0.446 253 A N -0.209 122.666 122.820 0.091 0.000 1.902 253 A HA -0.073 4.247 4.320 0.000 0.000 0.217 253 A C 2.422 180.087 177.584 0.136 0.000 1.181 253 A CA 2.078 54.193 52.037 0.130 0.000 0.623 253 A CB -0.855 18.256 19.000 0.185 0.000 0.818 253 A HN 0.533 nan 8.150 nan 0.000 0.443 254 S N 0.192 115.971 115.700 0.133 0.000 2.382 254 S HA -0.120 4.350 4.470 0.000 0.000 0.228 254 S C 1.786 176.484 174.600 0.164 0.000 1.027 254 S CA 1.469 59.749 58.200 0.133 0.000 0.991 254 S CB -0.557 62.707 63.200 0.106 0.000 0.823 254 S HN 0.554 nan 8.310 nan 0.000 0.469 255 I N 1.879 122.536 120.570 0.145 0.000 2.142 255 I HA -0.134 4.036 4.170 0.000 0.000 0.240 255 I C 2.795 179.112 176.117 0.333 0.000 1.078 255 I CA 1.369 62.774 61.300 0.175 0.000 1.343 255 I CB -0.958 37.110 38.000 0.113 0.000 1.046 255 I HN 0.401 nan 8.210 nan 0.000 0.405 256 G N -0.093 108.869 108.800 0.270 0.000 2.443 256 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 256 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 256 G C 1.518 176.640 174.900 0.371 0.000 1.131 256 G CA 0.341 45.634 45.100 0.322 0.000 0.775 256 G HN 0.402 nan 8.290 nan 0.000 0.547 257 E N -0.664 119.698 120.200 0.270 0.000 2.110 257 E HA -0.155 4.195 4.350 0.000 0.000 0.193 257 E C 1.937 178.666 176.600 0.214 0.000 0.988 257 E CA 0.593 57.116 56.400 0.206 0.000 0.804 257 E CB -0.207 29.582 29.700 0.149 0.000 0.745 257 E HN 0.654 nan 8.360 nan 0.000 0.458 258 W N 0.735 122.076 121.300 0.069 0.000 2.318 258 W HA -0.278 4.382 4.660 0.000 0.000 0.313 258 W C 1.573 178.027 176.519 -0.109 0.000 1.221 258 W CA 1.806 59.110 57.345 -0.068 0.000 1.266 258 W CB -0.437 28.907 29.460 -0.194 0.000 1.150 258 W HN 0.002 nan 8.180 nan 0.000 0.496 259 F N 0.144 120.215 119.950 0.202 0.000 2.075 259 F HA -0.189 4.338 4.527 0.000 0.000 0.297 259 F C 2.811 178.558 175.800 -0.089 0.000 1.113 259 F CA 2.246 60.259 58.000 0.023 0.000 1.218 259 F CB -1.257 37.864 39.000 0.201 0.000 0.984 259 F HN -0.207 nan 8.300 nan 0.000 0.472 260 R N 0.743 121.360 120.500 0.195 0.000 2.091 260 R HA -0.191 4.149 4.340 0.000 0.000 0.238 260 R C 1.556 177.842 176.300 -0.024 0.000 1.136 260 R CA 2.096 58.256 56.100 0.100 0.000 0.959 260 R CB -0.558 29.805 30.300 0.105 0.000 0.856 260 R HN 0.221 nan 8.270 nan 0.000 0.437 261 D N 0.168 120.503 120.400 -0.109 0.000 2.264 261 D HA -0.081 4.559 4.640 0.000 0.000 0.208 261 D C 0.271 176.390 176.300 -0.302 0.000 0.966 261 D CA 0.880 54.769 54.000 -0.186 0.000 0.864 261 D CB -0.053 40.625 40.800 -0.204 0.000 0.933 261 D HN 0.247 nan 8.370 nan 0.000 0.499 262 N N -0.496 117.938 118.700 -0.444 0.000 2.541 262 N HA 0.210 4.950 4.740 0.000 0.000 0.297 262 N C 0.945 176.271 175.510 -0.306 0.000 1.503 262 N CA 0.212 52.952 53.050 -0.517 0.000 0.919 262 N CB 1.498 39.343 38.487 -1.070 0.000 1.305 262 N HN 0.105 nan 8.380 nan 0.000 0.501 263 G N 0.764 109.466 108.800 -0.162 0.000 2.284 263 G HA2 -0.332 3.628 3.960 0.000 0.000 0.261 263 G HA3 -0.332 3.628 3.960 0.000 0.000 0.261 263 G C 0.408 175.260 174.900 -0.079 0.000 0.997 263 G CA 0.554 45.601 45.100 -0.090 0.000 0.621 263 G HN 0.368 nan 8.290 nan 0.000 0.534 264 K N -0.074 120.303 120.400 -0.038 0.000 2.209 264 K HA 0.655 4.975 4.320 0.000 0.000 0.238 264 K C -0.334 176.365 176.600 0.164 0.000 1.028 264 K CA -0.833 55.467 56.287 0.022 0.000 0.935 264 K CB 0.477 33.153 32.500 0.293 0.000 1.162 264 K HN 0.280 nan 8.250 nan 0.000 0.485 265 H N -0.505 118.679 119.070 0.191 0.000 2.489 265 H HA 0.548 5.104 4.556 0.000 0.000 0.343 265 H C -1.078 174.297 175.328 0.079 0.000 1.086 265 H CA -1.082 55.018 56.048 0.087 0.000 1.198 265 H CB 1.718 31.466 29.762 -0.023 0.000 1.490 265 H HN 0.643 nan 8.280 nan 0.000 0.504 266 A N 3.260 126.172 122.820 0.153 0.000 2.374 266 A HA 0.502 4.822 4.320 0.000 0.000 0.305 266 A C -1.116 176.458 177.584 -0.016 0.000 1.053 266 A CA -0.649 51.388 52.037 -0.000 0.000 0.726 266 A CB 1.392 20.362 19.000 -0.050 0.000 1.229 266 A HN 0.495 nan 8.150 nan 0.000 0.431 267 L N 2.612 123.808 121.223 -0.046 0.000 2.325 267 L HA 0.773 5.113 4.340 0.000 0.000 0.279 267 L C -0.606 176.227 176.870 -0.062 0.000 1.054 267 L CA -0.403 54.410 54.840 -0.045 0.000 0.804 267 L CB 1.130 43.167 42.059 -0.037 0.000 1.200 267 L HN 0.667 nan 8.230 nan 0.000 0.436 268 I N 4.788 125.303 120.570 -0.090 0.000 2.498 268 I HA 0.564 4.734 4.170 0.000 0.000 0.290 268 I C -1.374 174.573 176.117 -0.283 0.000 1.032 268 I CA -0.648 60.522 61.300 -0.217 0.000 1.073 268 I CB 1.869 39.691 38.000 -0.296 0.000 1.251 268 I HN 0.353 nan 8.210 nan 0.000 0.426 269 V N 7.610 127.305 119.914 -0.365 0.000 2.448 269 V HA 0.370 4.490 4.120 0.000 0.000 0.295 269 V C -1.166 174.569 176.094 -0.598 0.000 1.025 269 V CA -0.499 61.596 62.300 -0.342 0.000 0.859 269 V CB 1.345 33.060 31.823 -0.179 0.000 0.988 269 V HN 0.509 nan 8.190 nan 0.000 0.431 270 Y N 2.301 122.435 120.300 -0.277 0.000 2.417 270 Y HA 0.496 5.046 4.550 0.000 0.000 0.336 270 Y C 0.179 175.906 175.900 -0.289 0.000 0.961 270 Y CA -0.620 57.300 58.100 -0.300 0.000 1.215 270 Y CB 1.149 39.450 38.460 -0.265 0.000 1.120 270 Y HN 0.529 nan 8.280 nan 0.000 0.499 271 D N 3.951 124.204 120.400 -0.245 0.000 2.432 271 D HA 0.198 4.838 4.640 0.000 0.000 0.265 271 D C -1.417 174.839 176.300 -0.074 0.000 1.160 271 D CA -0.365 53.537 54.000 -0.164 0.000 0.911 271 D CB 0.405 41.076 40.800 -0.215 0.000 1.052 271 D HN 0.731 nan 8.370 nan 0.000 0.508 272 D N 0.263 120.644 120.400 -0.031 0.000 2.581 272 D HA 0.240 4.880 4.640 0.000 0.000 0.232 272 D C 1.173 177.442 176.300 -0.052 0.000 1.143 272 D CA -0.744 53.230 54.000 -0.042 0.000 0.881 272 D CB 1.332 42.116 40.800 -0.026 0.000 1.500 272 D HN 0.008 nan 8.370 nan 0.000 0.458 273 L N 0.280 121.425 121.223 -0.130 0.000 2.275 273 L HA -0.097 4.243 4.340 0.000 0.000 0.215 273 L C 1.906 178.739 176.870 -0.063 0.000 1.119 273 L CA 0.793 55.500 54.840 -0.222 0.000 0.790 273 L CB -0.396 41.279 42.059 -0.640 0.000 0.919 273 L HN 0.471 nan 8.230 nan 0.000 0.443 274 S N 0.109 115.786 115.700 -0.038 0.000 2.353 274 S HA -0.218 4.252 4.470 0.000 0.000 0.222 274 S C 1.977 176.636 174.600 0.098 0.000 1.035 274 S CA 1.448 59.671 58.200 0.038 0.000 1.025 274 S CB -0.085 63.132 63.200 0.028 0.000 0.902 274 S HN 0.347 nan 8.310 nan 0.000 0.440 275 K N 0.896 121.341 120.400 0.076 0.000 2.097 275 K HA -0.125 4.195 4.320 0.000 0.000 0.206 275 K C 2.491 179.168 176.600 0.128 0.000 1.049 275 K CA 1.089 57.434 56.287 0.096 0.000 0.933 275 K CB -0.164 32.378 32.500 0.070 0.000 0.717 275 K HN 0.343 nan 8.250 nan 0.000 0.442 276 Q N 0.394 120.265 119.800 0.118 0.000 2.096 276 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 276 Q C 2.000 178.142 176.000 0.236 0.000 0.982 276 Q CA 1.707 57.603 55.803 0.155 0.000 0.850 276 Q CB -0.113 28.688 28.738 0.104 0.000 0.901 276 Q HN 0.347 nan 8.270 nan 0.000 0.422 277 A N -0.071 122.897 122.820 0.248 0.000 1.933 277 A HA -0.130 4.190 4.320 0.000 0.000 0.218 277 A C 2.151 179.981 177.584 0.410 0.000 1.175 277 A CA 1.587 53.774 52.037 0.251 0.000 0.628 277 A CB -0.522 18.546 19.000 0.112 0.000 0.814 277 A HN 0.308 nan 8.150 nan 0.000 0.444 278 V N -0.450 119.677 119.914 0.354 0.000 2.548 278 V HA -0.133 3.987 4.120 0.000 0.000 0.249 278 V C 2.952 179.164 176.094 0.198 0.000 1.055 278 V CA 1.513 63.983 62.300 0.283 0.000 1.065 278 V CB -1.111 30.823 31.823 0.184 0.000 0.681 278 V HN 0.596 nan 8.190 nan 0.000 0.462 279 A N -0.358 122.591 122.820 0.215 0.000 1.877 279 A HA -0.257 4.063 4.320 0.000 0.000 0.216 279 A C 2.214 179.950 177.584 0.254 0.000 1.186 279 A CA 1.955 54.112 52.037 0.201 0.000 0.620 279 A CB -0.780 18.346 19.000 0.211 0.000 0.822 279 A HN 0.569 nan 8.150 nan 0.000 0.443 280 Y N 0.715 121.120 120.300 0.176 0.000 2.165 280 Y HA -0.217 4.333 4.550 0.000 0.000 0.286 280 Y C 2.432 178.379 175.900 0.078 0.000 1.155 280 Y CA 1.887 60.074 58.100 0.145 0.000 1.164 280 Y CB -0.728 37.870 38.460 0.231 0.000 0.978 280 Y HN 0.373 nan 8.280 nan 0.000 0.513 281 R N 0.229 120.768 120.500 0.065 0.000 2.096 281 R HA -0.277 4.063 4.340 0.000 0.000 0.240 281 R C 2.507 178.754 176.300 -0.089 0.000 1.139 281 R CA 2.116 58.168 56.100 -0.080 0.000 0.952 281 R CB -0.470 29.788 30.300 -0.070 0.000 0.854 281 R HN 0.574 nan 8.270 nan 0.000 0.436 282 Q N 0.133 119.920 119.800 -0.022 0.000 2.045 282 Q HA -0.221 4.119 4.340 0.000 0.000 0.206 282 Q C 1.983 177.958 176.000 -0.043 0.000 0.991 282 Q CA 1.966 57.753 55.803 -0.027 0.000 0.851 282 Q CB -0.118 28.623 28.738 0.006 0.000 0.911 282 Q HN 0.287 nan 8.270 nan 0.000 0.418 283 L N 0.458 121.660 121.223 -0.035 0.000 1.963 283 L HA -0.285 4.055 4.340 0.000 0.000 0.220 283 L C 2.569 179.388 176.870 -0.084 0.000 1.076 283 L CA 2.369 57.173 54.840 -0.061 0.000 0.772 283 L CB -1.195 40.824 42.059 -0.068 0.000 0.892 283 L HN 0.181 nan 8.230 nan 0.000 0.435 284 S N -0.822 114.797 115.700 -0.135 0.000 2.383 284 S HA -0.137 4.333 4.470 0.000 0.000 0.229 284 S C 2.030 176.567 174.600 -0.105 0.000 1.030 284 S CA 1.202 59.310 58.200 -0.153 0.000 1.002 284 S CB -0.459 62.567 63.200 -0.291 0.000 0.829 284 S HN 0.313 nan 8.310 nan 0.000 0.467 285 L N 0.535 121.699 121.223 -0.099 0.000 2.072 285 L HA 0.012 4.352 4.340 0.000 0.000 0.205 285 L C 2.182 179.018 176.870 -0.055 0.000 1.079 285 L CA 0.994 55.788 54.840 -0.076 0.000 0.752 285 L CB -0.402 41.609 42.059 -0.080 0.000 0.906 285 L HN 0.287 nan 8.230 nan 0.000 0.436 286 L N -0.823 120.369 121.223 -0.052 0.000 2.179 286 L HA -0.119 4.221 4.340 0.000 0.000 0.208 286 L C 2.220 179.070 176.870 -0.033 0.000 1.096 286 L CA 0.565 55.382 54.840 -0.039 0.000 0.779 286 L CB -0.146 41.892 42.059 -0.036 0.000 0.922 286 L HN 0.231 nan 8.230 nan 0.000 0.443 287 L N -0.408 120.792 121.223 -0.039 0.000 2.551 287 L HA -0.035 4.305 4.340 0.000 0.000 0.228 287 L C 0.794 177.649 176.870 -0.025 0.000 1.153 287 L CA 0.365 55.187 54.840 -0.030 0.000 0.851 287 L CB -0.243 41.795 42.059 -0.035 0.000 0.959 287 L HN 0.283 nan 8.230 nan 0.000 0.451 288 R N -0.742 119.739 120.500 -0.031 0.000 3.776 288 R HA -0.132 4.208 4.340 0.000 0.000 0.312 288 R C -0.206 176.079 176.300 -0.025 0.000 1.181 288 R CA 0.149 56.233 56.100 -0.027 0.000 0.836 288 R CB -1.622 28.668 30.300 -0.017 0.000 1.324 288 R HN 0.224 nan 8.270 nan 0.000 0.501 289 R N 1.486 121.966 120.500 -0.034 0.000 2.522 289 R HA 0.091 4.431 4.340 0.000 0.000 0.284 289 R C -1.990 174.292 176.300 -0.030 0.000 1.032 289 R CA -1.447 54.635 56.100 -0.030 0.000 1.049 289 R CB 0.009 30.282 30.300 -0.045 0.000 0.956 289 R HN 0.016 nan 8.270 nan 0.000 0.422 290 P HA 0.180 nan 4.420 nan 0.000 0.271 290 P C -2.309 174.984 177.300 -0.012 0.000 1.226 290 P CA -1.222 61.870 63.100 -0.014 0.000 0.765 290 P CB -0.075 31.622 31.700 -0.005 0.000 0.835 291 P HA 0.281 nan 4.420 nan 0.000 0.272 291 P C 0.524 177.829 177.300 0.008 0.000 1.223 291 P CA -0.044 63.049 63.100 -0.013 0.000 0.784 291 P CB 0.670 32.352 31.700 -0.029 0.000 0.923 292 G N 0.755 109.580 108.800 0.042 0.000 3.039 292 G HA2 0.318 4.278 3.960 0.000 0.000 0.159 292 G HA3 0.318 4.278 3.960 0.000 0.000 0.159 292 G C -0.635 174.267 174.900 0.004 0.000 1.284 292 G CA -0.759 44.364 45.100 0.039 0.000 0.996 292 G HN 0.482 nan 8.290 nan 0.000 0.592 293 R N 0.643 121.081 120.500 -0.102 0.000 2.538 293 R HA 0.081 4.421 4.340 0.000 0.000 0.282 293 R C -0.086 176.230 176.300 0.027 0.000 1.009 293 R CA 0.761 56.727 56.100 -0.222 0.000 1.063 293 R CB -0.228 29.645 30.300 -0.712 0.000 0.945 293 R HN 0.712 nan 8.270 nan 0.000 0.414 294 E N 2.505 122.728 120.200 0.038 0.000 2.476 294 E HA -0.313 4.037 4.350 0.000 0.000 0.251 294 E C 0.272 176.845 176.600 -0.045 0.000 1.130 294 E CA 0.484 56.935 56.400 0.084 0.000 0.736 294 E CB -1.186 28.684 29.700 0.283 0.000 1.298 294 E HN 0.889 nan 8.360 nan 0.000 0.400 295 A N -2.183 120.612 122.820 -0.042 0.000 2.910 295 A HA -0.323 3.997 4.320 0.000 0.000 0.267 295 A C 0.137 177.651 177.584 -0.117 0.000 1.310 295 A CA 1.912 53.892 52.037 -0.096 0.000 0.934 295 A CB -2.095 16.820 19.000 -0.142 0.000 1.057 295 A HN 0.505 nan 8.150 nan 0.000 0.742 296 Y N -0.215 120.131 120.300 0.076 0.000 2.314 296 Y HA 0.410 4.960 4.550 0.000 0.000 0.334 296 Y C -1.364 174.557 175.900 0.035 0.000 1.266 296 Y CA -1.477 56.671 58.100 0.080 0.000 1.391 296 Y CB 0.268 38.871 38.460 0.238 0.000 1.306 296 Y HN 0.146 nan 8.280 nan 0.000 0.558 297 P HA -0.066 nan 4.420 nan 0.000 0.270 297 P C 0.560 177.949 177.300 0.149 0.000 1.221 297 P CA 0.561 63.661 63.100 -0.001 0.000 0.788 297 P CB 0.563 32.097 31.700 -0.277 0.000 0.904 298 G N 1.082 109.958 108.800 0.126 0.000 2.471 298 G HA2 -0.159 3.801 3.960 0.000 0.000 0.219 298 G HA3 -0.159 3.801 3.960 0.000 0.000 0.219 298 G C 0.341 175.375 174.900 0.223 0.000 1.125 298 G CA 0.491 45.688 45.100 0.162 0.000 0.775 298 G HN 0.617 nan 8.290 nan 0.000 0.548 299 D N -0.129 120.427 120.400 0.260 0.000 2.643 299 D HA 0.141 4.781 4.640 0.000 0.000 0.244 299 D C 1.480 178.004 176.300 0.373 0.000 1.257 299 D CA -0.574 53.635 54.000 0.348 0.000 0.831 299 D CB 0.195 41.234 40.800 0.398 0.000 1.043 299 D HN 0.033 nan 8.370 nan 0.000 0.488 300 V N -0.229 119.851 119.914 0.278 0.000 2.626 300 V HA -0.127 3.993 4.120 0.000 0.000 0.252 300 V C 1.646 177.727 176.094 -0.022 0.000 1.067 300 V CA 1.312 63.681 62.300 0.116 0.000 1.081 300 V CB -0.655 31.125 31.823 -0.071 0.000 0.686 300 V HN 0.299 nan 8.190 nan 0.000 0.468 301 F N 0.163 120.098 119.950 -0.025 0.000 2.113 301 F HA -0.182 4.345 4.527 0.000 0.000 0.297 301 F C 2.118 177.962 175.800 0.073 0.000 1.103 301 F CA 2.201 60.203 58.000 0.003 0.000 1.248 301 F CB -0.630 38.405 39.000 0.058 0.000 0.999 301 F HN 0.342 nan 8.300 nan 0.000 0.475 302 Y N 0.668 121.026 120.300 0.097 0.000 2.497 302 Y HA -0.118 4.432 4.550 0.000 0.000 0.292 302 Y C 1.866 177.736 175.900 -0.050 0.000 1.137 302 Y CA 1.266 59.363 58.100 -0.006 0.000 1.285 302 Y CB -0.504 38.041 38.460 0.141 0.000 0.991 302 Y HN 0.281 nan 8.280 nan 0.000 0.556 303 L N -0.441 120.664 121.223 -0.197 0.000 2.005 303 L HA -0.159 4.181 4.340 0.000 0.000 0.207 303 L C 2.093 178.797 176.870 -0.277 0.000 1.072 303 L CA 2.125 56.799 54.840 -0.276 0.000 0.744 303 L CB -0.723 41.161 42.059 -0.292 0.000 0.895 303 L HN 0.273 nan 8.230 nan 0.000 0.433 304 H N -1.560 117.324 119.070 -0.310 0.000 2.512 304 H HA -0.021 4.535 4.556 0.000 0.000 0.279 304 H C 2.354 177.417 175.328 -0.442 0.000 0.999 304 H CA 0.739 56.545 56.048 -0.403 0.000 1.283 304 H CB 0.185 29.729 29.762 -0.364 0.000 1.421 304 H HN 0.556 nan 8.280 nan 0.000 0.554 305 S N 1.442 116.890 115.700 -0.421 0.000 2.357 305 S HA -0.191 4.279 4.470 0.000 0.000 0.221 305 S C 2.103 176.557 174.600 -0.243 0.000 1.031 305 S CA 0.850 58.791 58.200 -0.432 0.000 0.982 305 S CB -0.212 62.588 63.200 -0.666 0.000 0.853 305 S HN 0.531 nan 8.310 nan 0.000 0.458 306 R N 0.814 121.148 120.500 -0.276 0.000 2.193 306 R HA 0.044 4.384 4.340 0.000 0.000 0.229 306 R C 2.224 178.504 176.300 -0.034 0.000 1.110 306 R CA 1.288 57.279 56.100 -0.182 0.000 0.988 306 R CB -0.706 29.340 30.300 -0.424 0.000 0.871 306 R HN 0.485 nan 8.270 nan 0.000 0.458 307 L N 0.862 122.048 121.223 -0.061 0.000 2.049 307 L HA 0.060 4.400 4.340 0.000 0.000 0.203 307 L C 2.013 178.785 176.870 -0.163 0.000 1.074 307 L CA 1.468 56.231 54.840 -0.128 0.000 0.749 307 L CB -0.141 41.600 42.059 -0.530 0.000 0.907 307 L HN 0.182 nan 8.230 nan 0.000 0.439 308 L N -0.511 120.582 121.223 -0.218 0.000 2.492 308 L HA 0.027 4.367 4.340 0.000 0.000 0.223 308 L C 2.303 179.122 176.870 -0.084 0.000 1.132 308 L CA 0.089 54.822 54.840 -0.179 0.000 0.850 308 L CB -0.420 41.502 42.059 -0.228 0.000 0.966 308 L HN 0.292 nan 8.230 nan 0.000 0.454 309 E N 0.537 120.698 120.200 -0.066 0.000 2.152 309 E HA -0.140 4.210 4.350 0.000 0.000 0.192 309 E C 2.185 178.785 176.600 -0.000 0.000 0.983 309 E CA 0.680 57.064 56.400 -0.025 0.000 0.818 309 E CB 0.062 29.754 29.700 -0.013 0.000 0.758 309 E HN 0.454 nan 8.360 nan 0.000 0.467 310 R N 1.038 121.544 120.500 0.010 0.000 2.103 310 R HA -0.069 4.271 4.340 0.000 0.000 0.242 310 R C 1.175 177.498 176.300 0.038 0.000 1.142 310 R CA 0.951 57.072 56.100 0.035 0.000 0.960 310 R CB -0.471 29.865 30.300 0.059 0.000 0.858 310 R HN -0.030 nan 8.270 nan 0.000 0.439 311 A N 1.113 123.955 122.820 0.036 0.000 2.526 311 A HA 0.412 4.732 4.320 0.000 0.000 0.267 311 A C 0.031 177.623 177.584 0.014 0.000 1.095 311 A CA 0.643 52.699 52.037 0.032 0.000 0.775 311 A CB -0.184 18.835 19.000 0.032 0.000 1.036 311 A HN 0.419 nan 8.150 nan 0.000 0.510 312 A N 2.612 125.439 122.820 0.013 0.000 2.533 312 A HA 0.838 5.158 4.320 0.000 0.000 0.293 312 A C -0.601 176.979 177.584 -0.007 0.000 1.228 312 A CA -0.729 51.311 52.037 0.005 0.000 0.689 312 A CB 1.027 20.035 19.000 0.014 0.000 1.303 312 A HN 0.782 nan 8.150 nan 0.000 0.444 313 K N 1.126 121.523 120.400 -0.006 0.000 2.521 313 K HA 0.604 4.924 4.320 0.000 0.000 0.248 313 K C -1.234 175.375 176.600 0.015 0.000 0.978 313 K CA -0.222 56.059 56.287 -0.009 0.000 0.947 313 K CB -0.117 32.371 32.500 -0.020 0.000 1.165 313 K HN 0.586 nan 8.250 nan 0.000 0.445 314 L N 2.540 123.777 121.223 0.023 0.000 2.483 314 L HA 0.169 4.509 4.340 0.000 0.000 0.275 314 L C 0.849 177.737 176.870 0.030 0.000 1.220 314 L CA -0.218 54.637 54.840 0.024 0.000 0.833 314 L CB 0.681 42.753 42.059 0.022 0.000 1.102 314 L HN 0.801 nan 8.230 nan 0.000 0.490 315 S N 0.700 116.413 115.700 0.021 0.000 2.624 315 S HA 0.257 4.727 4.470 0.000 0.000 0.263 315 S C 1.185 175.797 174.600 0.020 0.000 1.287 315 S CA -0.032 58.180 58.200 0.019 0.000 0.990 315 S CB 1.308 64.513 63.200 0.009 0.000 0.950 315 S HN 0.704 nan 8.310 nan 0.000 0.561 316 E N 1.303 121.513 120.200 0.017 0.000 2.048 316 E HA -0.254 4.096 4.350 0.000 0.000 0.202 316 E C 1.897 178.500 176.600 0.006 0.000 1.021 316 E CA 2.031 58.439 56.400 0.014 0.000 0.825 316 E CB -1.211 28.493 29.700 0.007 0.000 0.756 316 E HN 0.780 nan 8.360 nan 0.000 0.454 317 K N 0.101 120.502 120.400 0.001 0.000 2.293 317 K HA -0.208 4.112 4.320 0.000 0.000 0.204 317 K C 0.927 177.523 176.600 -0.006 0.000 1.045 317 K CA 1.713 57.998 56.287 -0.003 0.000 0.933 317 K CB -0.023 32.475 32.500 -0.003 0.000 0.736 317 K HN 0.467 nan 8.250 nan 0.000 0.463 318 E N -0.967 119.231 120.200 -0.003 0.000 2.569 318 E HA 0.103 4.453 4.350 0.000 0.000 0.205 318 E C 0.679 177.271 176.600 -0.013 0.000 1.006 318 E CA 0.456 56.850 56.400 -0.009 0.000 0.985 318 E CB 0.928 30.626 29.700 -0.004 0.000 1.060 318 E HN 0.506 nan 8.360 nan 0.000 0.460 319 G N 1.440 110.235 108.800 -0.008 0.000 2.176 319 G HA2 -0.353 3.607 3.960 0.000 0.000 0.253 319 G HA3 -0.353 3.607 3.960 0.000 0.000 0.253 319 G C 0.631 175.541 174.900 0.016 0.000 0.979 319 G CA 0.265 45.358 45.100 -0.012 0.000 0.641 319 G HN 0.154 nan 8.290 nan 0.000 0.530 320 S N -1.324 114.401 115.700 0.042 0.000 3.445 320 S HA -0.166 4.304 4.470 0.000 0.000 0.319 320 S C 1.468 176.165 174.600 0.162 0.000 1.209 320 S CA 1.626 59.882 58.200 0.092 0.000 0.934 320 S CB -1.350 61.915 63.200 0.108 0.000 0.999 320 S HN 2.218 nan 8.310 nan 0.000 0.582 321 G N 1.375 110.242 108.800 0.111 0.000 2.432 321 G HA2 0.495 4.455 3.960 0.000 0.000 0.257 321 G HA3 0.495 4.455 3.960 0.000 0.000 0.257 321 G C -0.098 174.890 174.900 0.148 0.000 1.238 321 G CA 0.378 45.575 45.100 0.162 0.000 0.838 321 G HN 0.915 nan 8.290 nan 0.000 0.547 322 S N 1.080 116.906 115.700 0.210 0.000 2.538 322 S HA 0.654 5.124 4.470 0.000 0.000 0.288 322 S C -1.046 173.594 174.600 0.067 0.000 1.108 322 S CA -0.885 57.336 58.200 0.035 0.000 0.971 322 S CB 1.995 65.068 63.200 -0.212 0.000 1.041 322 S HN 0.759 nan 8.310 nan 0.000 0.483 323 L N 2.409 123.655 121.223 0.039 0.000 2.341 323 L HA 0.774 5.114 4.340 0.000 0.000 0.278 323 L C -0.776 176.097 176.870 0.005 0.000 1.005 323 L CA 0.210 55.076 54.840 0.043 0.000 0.818 323 L CB 2.014 44.118 42.059 0.075 0.000 1.259 323 L HN 0.914 nan 8.230 nan 0.000 0.418 324 T N 4.559 119.107 114.554 -0.010 0.000 2.812 324 T HA 0.807 5.157 4.350 0.000 0.000 0.282 324 T C -0.486 174.210 174.700 -0.006 0.000 0.990 324 T CA -0.350 61.735 62.100 -0.025 0.000 0.960 324 T CB 1.454 70.286 68.868 -0.060 0.000 0.948 324 T HN 0.810 nan 8.240 nan 0.000 0.438 325 A N 3.418 126.248 122.820 0.017 0.000 2.305 325 A HA 0.816 5.136 4.320 0.000 0.000 0.322 325 A C -0.449 177.158 177.584 0.037 0.000 1.187 325 A CA -0.703 51.373 52.037 0.066 0.000 0.825 325 A CB 0.359 19.430 19.000 0.117 0.000 1.164 325 A HN 0.868 nan 8.150 nan 0.000 0.498 326 L N 4.300 125.552 121.223 0.049 0.000 2.495 326 L HA 0.319 4.659 4.340 0.000 0.000 0.248 326 L C -2.419 174.484 176.870 0.055 0.000 1.229 326 L CA -1.597 53.259 54.840 0.026 0.000 0.942 326 L CB 1.601 43.662 42.059 0.003 0.000 1.242 326 L HN 0.482 nan 8.230 nan 0.000 0.484 327 P HA 0.163 nan 4.420 nan 0.000 0.275 327 P C -0.458 176.813 177.300 -0.048 0.000 1.227 327 P CA -0.155 62.944 63.100 -0.000 0.000 0.781 327 P CB 2.014 33.610 31.700 -0.173 0.000 0.906 328 V N 4.469 124.349 119.914 -0.056 0.000 2.483 328 V HA 0.404 4.524 4.120 0.000 0.000 0.295 328 V C 0.455 176.502 176.094 -0.078 0.000 1.035 328 V CA -0.531 61.738 62.300 -0.052 0.000 0.896 328 V CB 1.476 33.282 31.823 -0.029 0.000 0.986 328 V HN 0.424 nan 8.190 nan 0.000 0.447 329 I N 3.259 123.793 120.570 -0.061 0.000 2.582 329 I HA 0.430 4.600 4.170 0.000 0.000 0.292 329 I C -0.133 175.970 176.117 -0.023 0.000 1.066 329 I CA -0.475 60.791 61.300 -0.058 0.000 1.053 329 I CB 2.170 40.126 38.000 -0.074 0.000 1.241 329 I HN 0.752 nan 8.210 nan 0.000 0.421 330 E N 4.240 124.436 120.200 -0.007 0.000 2.146 330 E HA 0.390 4.740 4.350 0.000 0.000 0.282 330 E C -0.505 176.107 176.600 0.020 0.000 0.989 330 E CA -0.377 56.029 56.400 0.010 0.000 0.799 330 E CB 1.040 30.753 29.700 0.020 0.000 1.088 330 E HN 0.684 nan 8.360 nan 0.000 0.397 331 T N 1.837 116.403 114.554 0.019 0.000 2.925 331 T HA 0.325 4.675 4.350 0.000 0.000 0.285 331 T C -0.208 174.510 174.700 0.030 0.000 1.021 331 T CA -1.120 60.997 62.100 0.028 0.000 1.042 331 T CB 1.547 70.429 68.868 0.024 0.000 1.037 331 T HN 0.294 nan 8.240 nan 0.000 0.481 332 Q N 1.284 121.107 119.800 0.038 0.000 2.360 332 Q HA 0.416 4.756 4.340 0.000 0.000 0.254 332 Q C 0.950 176.968 176.000 0.031 0.000 0.975 332 Q CA 0.033 55.857 55.803 0.035 0.000 0.912 332 Q CB 0.814 29.577 28.738 0.041 0.000 1.212 332 Q HN 1.322 nan 8.270 nan 0.000 0.452 333 G N 2.070 110.886 108.800 0.026 0.000 2.372 333 G HA2 -0.166 3.794 3.960 0.000 0.000 0.290 333 G HA3 -0.166 3.794 3.960 0.000 0.000 0.290 333 G C 0.872 175.789 174.900 0.028 0.000 0.965 333 G CA 0.868 45.983 45.100 0.026 0.000 1.263 333 G HN 1.204 nan 8.290 nan 0.000 0.498 334 G N -0.080 108.736 108.800 0.027 0.000 2.166 334 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 334 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 334 G C 0.421 175.338 174.900 0.028 0.000 0.986 334 G CA 0.967 46.083 45.100 0.027 0.000 0.683 334 G HN 1.341 nan 8.290 nan 0.000 0.527 335 D N 0.658 121.076 120.400 0.031 0.000 2.416 335 D HA 0.354 4.994 4.640 0.000 0.000 0.240 335 D C 1.790 178.113 176.300 0.037 0.000 1.250 335 D CA 0.309 54.330 54.000 0.035 0.000 0.967 335 D CB 0.550 41.375 40.800 0.041 0.000 1.059 335 D HN 0.581 nan 8.370 nan 0.000 0.512 336 V N 1.126 121.060 119.914 0.033 0.000 3.541 336 V HA 0.034 4.154 4.120 0.000 0.000 0.267 336 V C 1.563 177.682 176.094 0.041 0.000 1.213 336 V CA 0.459 62.778 62.300 0.032 0.000 1.149 336 V CB -0.120 31.719 31.823 0.026 0.000 0.822 336 V HN 0.272 nan 8.190 nan 0.000 0.462 337 S N 1.236 116.963 115.700 0.045 0.000 2.489 337 S HA 0.395 4.865 4.470 0.000 0.000 0.228 337 S C 1.399 176.043 174.600 0.073 0.000 0.995 337 S CA 0.579 58.809 58.200 0.051 0.000 0.934 337 S CB -0.253 62.973 63.200 0.043 0.000 0.771 337 S HN 0.930 nan 8.310 nan 0.000 0.522 338 A N 1.165 124.034 122.820 0.081 0.000 2.387 338 A HA 0.287 4.607 4.320 0.000 0.000 0.251 338 A C 1.000 178.688 177.584 0.173 0.000 1.113 338 A CA -0.122 51.987 52.037 0.120 0.000 0.794 338 A CB -0.274 18.794 19.000 0.112 0.000 1.069 338 A HN 0.277 nan 8.150 nan 0.000 0.506 339 Y N 0.471 120.798 120.300 0.045 0.000 2.060 339 Y HA -0.200 4.350 4.550 0.000 0.000 0.276 339 Y C 2.043 177.945 175.900 0.004 0.000 1.127 339 Y CA 2.100 60.219 58.100 0.031 0.000 1.104 339 Y CB -0.466 38.026 38.460 0.055 0.000 0.983 339 Y HN 0.456 nan 8.280 nan 0.000 0.483 340 I N 0.774 121.220 120.570 -0.207 0.000 2.163 340 I HA -0.211 3.959 4.170 0.000 0.000 0.243 340 I C -0.336 175.727 176.117 -0.089 0.000 1.085 340 I CA 1.515 62.645 61.300 -0.285 0.000 1.347 340 I CB -2.933 34.892 38.000 -0.291 0.000 1.044 340 I HN 0.196 nan 8.210 nan 0.000 0.408 341 P HA -0.113 nan 4.420 nan 0.000 0.215 341 P C 1.746 179.054 177.300 0.013 0.000 1.153 341 P CA 1.885 64.982 63.100 -0.004 0.000 0.853 341 P CB -0.192 31.520 31.700 0.020 0.000 0.788 342 T N -1.426 113.154 114.554 0.042 0.000 2.904 342 T HA -0.081 4.269 4.350 0.000 0.000 0.267 342 T C 1.644 176.391 174.700 0.080 0.000 1.059 342 T CA 0.907 63.043 62.100 0.059 0.000 1.137 342 T CB -0.837 68.076 68.868 0.075 0.000 0.879 342 T HN 0.073 nan 8.240 nan 0.000 0.467 343 N N 1.314 120.063 118.700 0.081 0.000 2.018 343 N HA -0.101 4.639 4.740 0.000 0.000 0.196 343 N C 1.911 177.519 175.510 0.164 0.000 1.043 343 N CA 1.140 54.297 53.050 0.178 0.000 0.856 343 N CB -0.717 37.819 38.487 0.083 0.000 1.042 343 N HN 0.220 nan 8.380 nan 0.000 0.423 344 V N 1.164 121.099 119.914 0.036 0.000 2.667 344 V HA -0.075 4.045 4.120 0.000 0.000 0.252 344 V C 2.170 178.253 176.094 -0.018 0.000 1.065 344 V CA 0.801 63.076 62.300 -0.043 0.000 1.083 344 V CB -0.286 31.450 31.823 -0.146 0.000 0.692 344 V HN 0.233 nan 8.190 nan 0.000 0.468 345 I N -0.277 120.301 120.570 0.013 0.000 2.493 345 I HA -0.166 4.004 4.170 0.000 0.000 0.254 345 I C 2.458 178.605 176.117 0.049 0.000 1.160 345 I CA 1.156 62.469 61.300 0.021 0.000 1.445 345 I CB -0.200 37.813 38.000 0.023 0.000 1.086 345 I HN 0.191 nan 8.210 nan 0.000 0.433 346 S N 0.237 115.996 115.700 0.097 0.000 2.453 346 S HA 0.048 4.518 4.470 0.000 0.000 0.231 346 S C 1.856 176.554 174.600 0.164 0.000 1.005 346 S CA 0.922 59.208 58.200 0.144 0.000 0.949 346 S CB -0.041 63.289 63.200 0.217 0.000 0.774 346 S HN 0.320 nan 8.310 nan 0.000 0.510 347 I N 0.673 121.310 120.570 0.111 0.000 2.556 347 I HA -0.011 4.159 4.170 0.000 0.000 0.251 347 I C 1.678 177.793 176.117 -0.004 0.000 1.105 347 I CA 0.511 61.831 61.300 0.034 0.000 1.436 347 I CB -0.494 37.446 38.000 -0.101 0.000 1.139 347 I HN 0.271 nan 8.210 nan 0.000 0.438 348 T N -1.595 112.947 114.554 -0.021 0.000 2.652 348 T HA 0.024 4.374 4.350 0.000 0.000 0.319 348 T C 0.454 175.150 174.700 -0.007 0.000 1.029 348 T CA -0.192 61.891 62.100 -0.028 0.000 0.990 348 T CB 0.426 69.270 68.868 -0.041 0.000 1.098 348 T HN 0.094 nan 8.240 nan 0.000 0.520 349 D N 0.154 120.548 120.400 -0.010 0.000 2.463 349 D HA 0.412 5.052 4.640 0.000 0.000 0.224 349 D C 0.876 177.175 176.300 -0.002 0.000 1.174 349 D CA 0.243 54.241 54.000 -0.003 0.000 0.829 349 D CB 0.080 40.875 40.800 -0.007 0.000 0.993 349 D HN 0.973 nan 8.370 nan 0.000 0.497 350 G N 0.751 109.550 108.800 -0.003 0.000 2.351 350 G HA2 0.173 4.133 3.960 0.000 0.000 0.353 350 G HA3 0.173 4.133 3.960 0.000 0.000 0.353 350 G C -1.857 173.039 174.900 -0.006 0.000 1.358 350 G CA -0.989 44.110 45.100 -0.002 0.000 0.995 350 G HN 0.033 nan 8.290 nan 0.000 0.611 351 Q N -1.167 118.632 119.800 -0.003 0.000 2.377 351 Q HA 0.695 5.035 4.340 0.000 0.000 0.279 351 Q C -0.637 175.363 176.000 -0.000 0.000 1.049 351 Q CA -0.600 55.200 55.803 -0.005 0.000 0.825 351 Q CB 2.274 31.011 28.738 -0.003 0.000 1.401 351 Q HN 0.688 nan 8.270 nan 0.000 0.404 352 I N 2.051 122.621 120.570 -0.001 0.000 2.291 352 I HA 0.535 4.705 4.170 0.000 0.000 0.290 352 I C -0.278 175.844 176.117 0.007 0.000 1.050 352 I CA -0.261 61.042 61.300 0.005 0.000 1.245 352 I CB 0.199 38.202 38.000 0.005 0.000 1.405 352 I HN 0.637 nan 8.210 nan 0.000 0.478 353 F N 6.374 126.330 119.950 0.011 0.000 2.427 353 F HA 0.806 5.333 4.527 0.000 0.000 0.352 353 F C -0.081 175.731 175.800 0.021 0.000 1.100 353 F CA -0.998 57.010 58.000 0.015 0.000 1.191 353 F CB 0.716 39.726 39.000 0.016 0.000 1.128 353 F HN 0.476 nan 8.300 nan 0.000 0.533 354 L N 2.587 123.824 121.223 0.024 0.000 2.404 354 L HA 0.741 5.081 4.340 0.000 0.000 0.272 354 L C -0.581 176.313 176.870 0.040 0.000 0.980 354 L CA -1.220 53.641 54.840 0.036 0.000 0.836 354 L CB 0.797 42.879 42.059 0.038 0.000 1.238 354 L HN 0.882 nan 8.230 nan 0.000 0.408 355 E N 2.392 122.624 120.200 0.053 0.000 2.216 355 E HA 0.625 4.975 4.350 0.000 0.000 0.279 355 E C 1.163 177.816 176.600 0.088 0.000 0.997 355 E CA 0.166 56.601 56.400 0.060 0.000 0.817 355 E CB 2.376 32.111 29.700 0.058 0.000 1.096 355 E HN 0.901 nan 8.360 nan 0.000 0.393 356 A N 3.318 126.185 122.820 0.079 0.000 1.969 356 A HA -0.188 4.132 4.320 0.000 0.000 0.218 356 A C 1.886 179.601 177.584 0.219 0.000 1.169 356 A CA 1.118 53.222 52.037 0.111 0.000 0.635 356 A CB -0.161 18.899 19.000 0.100 0.000 0.810 356 A HN 0.688 nan 8.150 nan 0.000 0.445 357 E N -0.018 120.281 120.200 0.165 0.000 2.085 357 E HA -0.170 4.180 4.350 0.000 0.000 0.194 357 E C 1.953 178.644 176.600 0.151 0.000 0.994 357 E CA 1.145 57.642 56.400 0.161 0.000 0.801 357 E CB -0.187 29.573 29.700 0.101 0.000 0.743 357 E HN 0.673 nan 8.360 nan 0.000 0.453 358 L N -0.214 121.078 121.223 0.115 0.000 2.056 358 L HA -0.147 4.193 4.340 0.000 0.000 0.207 358 L C 2.456 179.364 176.870 0.064 0.000 1.078 358 L CA 0.779 55.666 54.840 0.078 0.000 0.749 358 L CB -0.472 41.618 42.059 0.052 0.000 0.901 358 L HN 0.127 nan 8.230 nan 0.000 0.433 359 F N 0.242 120.133 119.950 -0.098 0.000 2.043 359 F HA -0.356 4.171 4.527 -0.000 0.000 0.297 359 F C 2.182 177.796 175.800 -0.310 0.000 1.118 359 F CA 1.942 59.781 58.000 -0.270 0.000 1.202 359 F CB -0.369 38.355 39.000 -0.460 0.000 0.965 359 F HN -0.009 nan 8.300 nan 0.000 0.482 360 Y N 0.008 120.473 120.300 0.275 0.000 2.561 360 Y HA 0.083 4.633 4.550 0.000 0.000 0.291 360 Y C 2.359 178.294 175.900 0.057 0.000 1.141 360 Y CA 1.086 59.290 58.100 0.173 0.000 1.303 360 Y CB -1.188 37.390 38.460 0.197 0.000 1.015 360 Y HN 0.088 nan 8.280 nan 0.000 0.547 361 K N 0.599 121.081 120.400 0.136 0.000 2.555 361 K HA 0.361 4.681 4.320 0.000 0.000 0.193 361 K C 1.824 178.432 176.600 0.014 0.000 1.032 361 K CA 0.913 57.244 56.287 0.073 0.000 1.004 361 K CB -1.301 31.234 32.500 0.058 0.000 0.804 361 K HN 0.566 nan 8.250 nan 0.000 0.496 362 G N -0.425 108.347 108.800 -0.046 0.000 2.213 362 G HA2 -0.167 3.793 3.960 0.000 0.000 0.226 362 G HA3 -0.167 3.793 3.960 0.000 0.000 0.226 362 G C 0.295 175.098 174.900 -0.160 0.000 0.992 362 G CA 0.012 45.051 45.100 -0.102 0.000 0.632 362 G HN 0.525 nan 8.290 nan 0.000 0.511 363 I N 2.022 122.511 120.570 -0.136 0.000 2.347 363 I HA 0.435 4.605 4.170 0.000 0.000 0.294 363 I C 0.624 176.626 176.117 -0.191 0.000 1.090 363 I CA 0.110 61.340 61.300 -0.117 0.000 1.314 363 I CB 0.359 38.329 38.000 -0.049 0.000 1.423 363 I HN 0.094 nan 8.210 nan 0.000 0.503 364 R N 6.278 126.657 120.500 -0.201 0.000 2.604 364 R HA 0.439 4.779 4.340 0.000 0.000 0.281 364 R C -2.776 173.454 176.300 -0.118 0.000 1.020 364 R CA -1.876 54.097 56.100 -0.211 0.000 0.899 364 R CB 1.617 31.692 30.300 -0.376 0.000 1.205 364 R HN 0.190 nan 8.270 nan 0.000 0.450 365 P HA -0.016 nan 4.420 nan 0.000 0.265 365 P C -0.645 176.636 177.300 -0.033 0.000 1.193 365 P CA 0.034 63.106 63.100 -0.047 0.000 0.765 365 P CB 0.722 32.409 31.700 -0.022 0.000 0.823 366 A N 4.964 127.782 122.820 -0.003 0.000 2.990 366 A HA 0.220 4.540 4.320 0.000 0.000 0.282 366 A C 0.270 177.873 177.584 0.033 0.000 1.688 366 A CA -0.249 51.802 52.037 0.023 0.000 1.391 366 A CB -1.316 17.740 19.000 0.093 0.000 1.112 366 A HN 0.493 nan 8.150 nan 0.000 0.588 367 I N 1.688 122.269 120.570 0.018 0.000 2.371 367 I HA 0.058 4.228 4.170 0.000 0.000 0.290 367 I C 0.649 176.779 176.117 0.022 0.000 1.028 367 I CA -0.453 60.859 61.300 0.019 0.000 1.345 367 I CB 0.902 38.910 38.000 0.014 0.000 1.407 367 I HN 0.478 nan 8.210 nan 0.000 0.501 368 N N 6.346 125.060 118.700 0.023 0.000 2.434 368 N HA 0.008 4.748 4.740 0.000 0.000 0.273 368 N C 0.931 176.452 175.510 0.020 0.000 1.210 368 N CA 0.067 53.130 53.050 0.022 0.000 0.992 368 N CB 0.956 39.457 38.487 0.022 0.000 1.355 368 N HN 0.446 nan 8.380 nan 0.000 0.495 369 V N 3.063 122.989 119.914 0.020 0.000 2.568 369 V HA -0.185 3.935 4.120 0.000 0.000 0.253 369 V C 2.310 178.415 176.094 0.019 0.000 1.072 369 V CA 2.059 64.372 62.300 0.022 0.000 1.084 369 V CB -0.899 30.940 31.823 0.026 0.000 0.676 369 V HN 0.654 nan 8.190 nan 0.000 0.469 370 G N 0.524 109.333 108.800 0.015 0.000 2.424 370 G HA2 -0.109 3.851 3.960 0.000 0.000 0.214 370 G HA3 -0.109 3.851 3.960 0.000 0.000 0.214 370 G C 1.282 176.189 174.900 0.012 0.000 1.202 370 G CA 0.617 45.724 45.100 0.011 0.000 0.793 370 G HN 0.535 nan 8.290 nan 0.000 0.534 371 L N 1.192 122.423 121.223 0.014 0.000 2.629 371 L HA 0.298 4.638 4.340 0.000 0.000 0.230 371 L C 0.418 177.296 176.870 0.013 0.000 1.151 371 L CA -0.210 54.638 54.840 0.013 0.000 0.924 371 L CB 0.401 42.468 42.059 0.014 0.000 1.137 371 L HN -0.037 nan 8.230 nan 0.000 0.457 372 S N 1.398 117.106 115.700 0.014 0.000 2.422 372 S HA 0.493 4.963 4.470 0.000 0.000 0.298 372 S C -0.065 174.542 174.600 0.012 0.000 1.118 372 S CA -0.541 57.666 58.200 0.012 0.000 1.083 372 S CB 1.371 64.578 63.200 0.013 0.000 0.971 372 S HN 0.145 nan 8.310 nan 0.000 0.478 373 V N 1.344 121.263 119.914 0.009 0.000 2.823 373 V HA 0.828 4.948 4.120 0.000 0.000 0.312 373 V C -0.206 175.892 176.094 0.006 0.000 1.072 373 V CA -0.805 61.501 62.300 0.009 0.000 0.937 373 V CB 1.995 33.824 31.823 0.010 0.000 1.013 373 V HN 0.592 nan 8.190 nan 0.000 0.430 374 S N 2.141 117.844 115.700 0.005 0.000 2.498 374 S HA 0.618 5.088 4.470 0.000 0.000 0.324 374 S C 1.095 175.696 174.600 0.002 0.000 1.071 374 S CA 0.137 58.338 58.200 0.001 0.000 1.113 374 S CB 1.319 64.517 63.200 -0.003 0.000 0.976 374 S HN 1.452 nan 8.310 nan 0.000 0.462 375 R N 3.372 123.874 120.500 0.003 0.000 2.280 375 R HA 0.123 4.463 4.340 0.000 0.000 0.207 375 R C 1.763 178.065 176.300 0.004 0.000 1.043 375 R CA 1.484 57.587 56.100 0.005 0.000 1.006 375 R CB -1.346 28.959 30.300 0.008 0.000 0.885 375 R HN 0.643 nan 8.270 nan 0.000 0.467 376 V N -0.322 119.592 119.914 -0.001 0.000 2.453 376 V HA 0.163 4.283 4.120 0.000 0.000 0.247 376 V C 1.911 178.006 176.094 0.001 0.000 1.048 376 V CA 1.613 63.912 62.300 -0.002 0.000 1.049 376 V CB -0.672 31.144 31.823 -0.012 0.000 0.672 376 V HN 1.066 nan 8.190 nan 0.000 0.457 377 G N 0.415 109.216 108.800 0.001 0.000 2.539 377 G HA2 -0.345 3.615 3.960 0.000 0.000 0.256 377 G HA3 -0.345 3.615 3.960 0.000 0.000 0.256 377 G C 0.896 175.797 174.900 0.002 0.000 1.233 377 G CA 0.727 45.829 45.100 0.004 0.000 0.936 377 G HN 1.022 nan 8.290 nan 0.000 0.571 378 S N 0.032 115.736 115.700 0.006 0.000 2.562 378 S HA 0.409 4.879 4.470 0.000 0.000 0.221 378 S C 2.492 177.096 174.600 0.006 0.000 0.975 378 S CA 1.309 59.513 58.200 0.006 0.000 0.918 378 S CB 0.011 63.217 63.200 0.010 0.000 0.772 378 S HN 2.096 nan 8.310 nan 0.000 0.531 379 A N 1.482 124.308 122.820 0.010 0.000 2.024 379 A HA 0.374 4.694 4.320 0.000 0.000 0.220 379 A C 1.891 179.486 177.584 0.017 0.000 1.164 379 A CA 1.332 53.382 52.037 0.021 0.000 0.643 379 A CB -0.792 18.224 19.000 0.027 0.000 0.806 379 A HN 1.026 nan 8.150 nan 0.000 0.451 380 A N -1.023 121.791 122.820 -0.009 0.000 2.793 380 A HA 0.506 4.826 4.320 0.000 0.000 0.301 380 A C 0.174 177.729 177.584 -0.048 0.000 1.172 380 A CA -0.223 51.788 52.037 -0.043 0.000 0.973 380 A CB -0.140 18.824 19.000 -0.060 0.000 1.164 380 A HN 0.521 nan 8.150 nan 0.000 0.542 381 Q N 0.137 119.920 119.800 -0.029 0.000 2.345 381 Q HA 0.553 4.893 4.340 0.000 0.000 0.268 381 Q C -1.012 174.975 176.000 -0.022 0.000 1.054 381 Q CA -0.648 55.141 55.803 -0.024 0.000 0.835 381 Q CB 2.158 30.892 28.738 -0.007 0.000 1.339 381 Q HN 0.169 nan 8.270 nan 0.000 0.447 382 V N 4.601 124.503 119.914 -0.020 0.000 2.458 382 V HA -0.087 4.033 4.120 0.000 0.000 0.287 382 V C 0.865 176.961 176.094 0.004 0.000 1.009 382 V CA 0.750 63.044 62.300 -0.010 0.000 1.091 382 V CB 0.385 32.209 31.823 0.001 0.000 0.960 382 V HN 0.846 nan 8.190 nan 0.000 0.476 383 K N 3.815 124.219 120.400 0.006 0.000 2.360 383 K HA -0.082 4.238 4.320 0.000 0.000 0.201 383 K C 2.007 178.618 176.600 0.018 0.000 1.046 383 K CA 1.202 57.497 56.287 0.012 0.000 0.945 383 K CB -0.061 32.447 32.500 0.014 0.000 0.750 383 K HN 0.823 nan 8.250 nan 0.000 0.464 384 A N 0.713 123.544 122.820 0.018 0.000 1.970 384 A HA -0.052 4.268 4.320 0.000 0.000 0.216 384 A C 1.939 179.543 177.584 0.032 0.000 1.170 384 A CA 0.708 52.759 52.037 0.023 0.000 0.645 384 A CB -0.185 18.825 19.000 0.016 0.000 0.816 384 A HN 0.221 nan 8.150 nan 0.000 0.447 385 L N -0.117 121.123 121.223 0.028 0.000 2.313 385 L HA 0.045 4.385 4.340 0.000 0.000 0.214 385 L C 2.107 178.996 176.870 0.032 0.000 1.119 385 L CA 1.968 56.828 54.840 0.033 0.000 0.809 385 L CB -0.413 41.662 42.059 0.027 0.000 0.933 385 L HN 0.424 nan 8.230 nan 0.000 0.449 386 K N -0.738 119.677 120.400 0.025 0.000 2.097 386 K HA -0.200 4.120 4.320 0.000 0.000 0.205 386 K C 1.879 178.496 176.600 0.028 0.000 1.050 386 K CA 1.670 57.970 56.287 0.023 0.000 0.938 386 K CB -0.012 32.499 32.500 0.018 0.000 0.718 386 K HN 0.515 nan 8.250 nan 0.000 0.442 387 Q N 0.119 119.941 119.800 0.037 0.000 2.230 387 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 387 Q C 1.995 178.030 176.000 0.058 0.000 0.963 387 Q CA 1.320 57.150 55.803 0.046 0.000 0.866 387 Q CB 0.243 29.012 28.738 0.053 0.000 0.931 387 Q HN 0.307 nan 8.270 nan 0.000 0.452 388 V N -2.558 117.397 119.914 0.069 0.000 2.725 388 V HA 0.239 4.359 4.120 0.000 0.000 0.247 388 V C 1.230 177.334 176.094 0.017 0.000 1.058 388 V CA 0.520 62.866 62.300 0.076 0.000 1.080 388 V CB -0.538 31.370 31.823 0.142 0.000 0.713 388 V HN 0.127 nan 8.190 nan 0.000 0.465 389 A N 1.752 124.582 122.820 0.018 0.000 2.906 389 A HA 0.623 4.943 4.320 0.000 0.000 0.289 389 A C 1.461 179.042 177.584 -0.005 0.000 1.675 389 A CA 0.486 52.524 52.037 0.002 0.000 1.372 389 A CB -0.769 18.240 19.000 0.015 0.000 1.091 389 A HN 0.513 nan 8.150 nan 0.000 0.579 390 G N 0.850 109.632 108.800 -0.031 0.000 2.813 390 G HA2 -0.058 3.902 3.960 0.000 0.000 0.208 390 G HA3 -0.058 3.902 3.960 0.000 0.000 0.208 390 G C 1.174 176.072 174.900 -0.004 0.000 1.395 390 G CA 1.031 46.114 45.100 -0.028 0.000 0.849 390 G HN 0.580 nan 8.290 nan 0.000 0.617 391 S N 0.631 116.330 115.700 -0.001 0.000 2.618 391 S HA 0.168 4.638 4.470 0.000 0.000 0.242 391 S C 1.659 176.316 174.600 0.096 0.000 0.972 391 S CA -0.489 57.746 58.200 0.058 0.000 1.004 391 S CB 0.322 63.586 63.200 0.106 0.000 0.778 391 S HN 0.289 nan 8.310 nan 0.000 0.459 392 L N 2.570 123.821 121.223 0.048 0.000 2.043 392 L HA -0.199 4.141 4.340 0.000 0.000 0.212 392 L C 2.569 179.498 176.870 0.099 0.000 1.075 392 L CA 2.387 57.266 54.840 0.064 0.000 0.752 392 L CB -0.697 41.376 42.059 0.023 0.000 0.891 392 L HN 0.377 nan 8.230 nan 0.000 0.432 393 K N -0.564 119.878 120.400 0.071 0.000 2.025 393 K HA -0.066 4.254 4.320 0.000 0.000 0.207 393 K C 1.949 178.591 176.600 0.070 0.000 1.049 393 K CA 1.896 58.219 56.287 0.061 0.000 0.933 393 K CB -1.331 31.193 32.500 0.041 0.000 0.714 393 K HN 0.536 nan 8.250 nan 0.000 0.438 394 L N -1.718 119.554 121.223 0.082 0.000 2.109 394 L HA 0.097 4.437 4.340 0.000 0.000 0.207 394 L C 2.607 179.532 176.870 0.091 0.000 1.086 394 L CA 1.045 55.929 54.840 0.073 0.000 0.760 394 L CB -0.272 41.828 42.059 0.069 0.000 0.910 394 L HN 0.369 nan 8.230 nan 0.000 0.437 395 F N 0.831 120.779 119.950 -0.004 0.000 2.293 395 F HA -0.029 4.498 4.527 0.000 0.000 0.297 395 F C 2.195 177.992 175.800 -0.005 0.000 1.089 395 F CA 1.098 59.094 58.000 -0.006 0.000 1.377 395 F CB 0.109 39.103 39.000 -0.010 0.000 1.051 395 F HN -0.062 nan 8.300 nan 0.000 0.511 396 L N -1.013 120.323 121.223 0.189 0.000 2.599 396 L HA 0.474 4.814 4.340 0.000 0.000 0.230 396 L C 2.150 179.035 176.870 0.025 0.000 1.141 396 L CA 1.283 56.192 54.840 0.114 0.000 0.877 396 L CB -1.880 40.249 42.059 0.117 0.000 1.009 396 L HN 0.303 nan 8.230 nan 0.000 0.447 397 A N -1.799 121.019 122.820 -0.002 0.000 2.014 397 A HA -0.003 4.317 4.320 0.000 0.000 0.210 397 A C 2.114 179.652 177.584 -0.077 0.000 1.188 397 A CA 0.841 52.862 52.037 -0.026 0.000 0.731 397 A CB -0.156 18.837 19.000 -0.012 0.000 0.858 397 A HN 0.638 nan 8.150 nan 0.000 0.464 398 Q N -1.506 118.210 119.800 -0.140 0.000 2.364 398 Q HA -0.156 4.184 4.340 0.000 0.000 0.207 398 Q C 2.036 177.869 176.000 -0.279 0.000 0.970 398 Q CA 1.607 57.274 55.803 -0.227 0.000 0.888 398 Q CB -0.562 27.981 28.738 -0.325 0.000 0.951 398 Q HN 0.910 nan 8.270 nan 0.000 0.469 399 Y N 0.980 121.125 120.300 -0.259 0.000 2.263 399 Y HA -0.081 4.469 4.550 0.000 0.000 0.292 399 Y C 2.100 177.943 175.900 -0.095 0.000 1.130 399 Y CA 1.578 59.571 58.100 -0.178 0.000 1.179 399 Y CB -0.525 37.885 38.460 -0.084 0.000 0.998 399 Y HN 0.102 nan 8.280 nan 0.000 0.532 400 R N 0.714 121.172 120.500 -0.070 0.000 2.148 400 R HA -0.113 4.227 4.340 0.000 0.000 0.227 400 R C 2.363 178.633 176.300 -0.050 0.000 1.103 400 R CA 1.405 57.479 56.100 -0.043 0.000 0.983 400 R CB -0.322 29.962 30.300 -0.026 0.000 0.874 400 R HN 0.682 nan 8.270 nan 0.000 0.451 401 E N 0.146 120.302 120.200 -0.073 0.000 2.150 401 E HA -0.073 4.277 4.350 0.000 0.000 0.193 401 E C 1.993 178.551 176.600 -0.070 0.000 0.985 401 E CA 1.216 57.574 56.400 -0.070 0.000 0.814 401 E CB -0.969 28.680 29.700 -0.085 0.000 0.752 401 E HN 0.462 nan 8.360 nan 0.000 0.466 402 V N 0.302 120.163 119.914 -0.087 0.000 2.667 402 V HA 0.374 4.494 4.120 0.000 0.000 0.252 402 V C 2.790 178.858 176.094 -0.043 0.000 1.065 402 V CA 2.227 64.485 62.300 -0.070 0.000 1.083 402 V CB -0.753 31.019 31.823 -0.085 0.000 0.692 402 V HN 0.574 nan 8.190 nan 0.000 0.468 403 A N 0.053 122.850 122.820 -0.038 0.000 2.067 403 A HA 0.248 4.568 4.320 0.000 0.000 0.219 403 A C 2.301 179.875 177.584 -0.017 0.000 1.158 403 A CA 1.948 53.973 52.037 -0.021 0.000 0.661 403 A CB -0.402 18.589 19.000 -0.015 0.000 0.801 403 A HN 1.255 nan 8.150 nan 0.000 0.452 404 A N -2.563 120.243 122.820 -0.022 0.000 2.267 404 A HA 0.462 4.782 4.320 0.000 0.000 0.213 404 A C 1.827 179.400 177.584 -0.018 0.000 1.192 404 A CA 0.904 52.930 52.037 -0.017 0.000 0.851 404 A CB -0.507 18.483 19.000 -0.018 0.000 0.881 404 A HN 0.979 nan 8.150 nan 0.000 0.494 405 F N -1.278 118.659 119.950 -0.023 0.000 2.505 405 F HA 0.494 5.021 4.527 0.000 0.000 0.289 405 F C 2.382 178.172 175.800 -0.016 0.000 1.101 405 F CA 0.875 58.863 58.000 -0.021 0.000 1.446 405 F CB -0.876 38.107 39.000 -0.027 0.000 1.123 405 F HN 0.394 nan 8.300 nan 0.000 0.564 406 A N -1.057 121.753 122.820 -0.016 0.000 2.167 406 A HA 0.014 4.334 4.320 0.000 0.000 0.214 406 A C 1.895 179.474 177.584 -0.008 0.000 1.151 406 A CA 0.946 52.977 52.037 -0.011 0.000 0.735 406 A CB -0.609 18.384 19.000 -0.011 0.000 0.802 406 A HN 0.520 nan 8.150 nan 0.000 0.467 407 Q N -1.202 118.593 119.800 -0.008 0.000 2.124 407 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 407 Q C 2.105 178.102 176.000 -0.004 0.000 0.977 407 Q CA 1.990 57.790 55.803 -0.005 0.000 0.850 407 Q CB -0.893 27.842 28.738 -0.005 0.000 0.901 407 Q HN 0.851 nan 8.270 nan 0.000 0.429 408 F N 0.109 120.056 119.950 -0.006 0.000 2.333 408 F HA 0.194 4.721 4.527 0.000 0.000 0.300 408 F C 1.437 177.235 175.800 -0.004 0.000 1.083 408 F CA 0.922 58.919 58.000 -0.005 0.000 1.395 408 F CB -0.856 38.141 39.000 -0.006 0.000 1.056 408 F HN 0.238 nan 8.300 nan 0.000 0.529 409 G N 0.158 108.956 108.800 -0.004 0.000 2.587 409 G HA2 0.210 4.170 3.960 0.000 0.000 0.274 409 G HA3 0.210 4.170 3.960 0.000 0.000 0.274 409 G C -0.333 174.565 174.900 -0.004 0.000 1.046 409 G CA 0.429 45.528 45.100 -0.003 0.000 1.308 409 G HN 1.579 nan 8.290 nan 0.000 0.529 410 S N 0.781 116.478 115.700 -0.005 0.000 2.548 410 S HA 0.574 5.044 4.470 0.000 0.000 0.276 410 S C -0.288 174.308 174.600 -0.005 0.000 1.129 410 S CA -0.200 57.997 58.200 -0.005 0.000 0.931 410 S CB 1.120 64.317 63.200 -0.006 0.000 1.068 410 S HN 0.890 nan 8.310 nan 0.000 0.480 411 D N 3.476 123.873 120.400 -0.005 0.000 2.390 411 D HA 0.400 5.040 4.640 0.000 0.000 0.249 411 D C 1.039 177.335 176.300 -0.006 0.000 1.144 411 D CA -0.329 53.668 54.000 -0.005 0.000 0.880 411 D CB 0.640 41.437 40.800 -0.005 0.000 1.182 411 D HN 0.394 nan 8.370 nan 0.000 0.451 412 L N 1.693 122.912 121.223 -0.006 0.000 2.946 412 L HA 0.436 4.776 4.340 0.000 0.000 0.189 412 L C 0.840 177.706 176.870 -0.006 0.000 1.249 412 L CA -0.303 54.533 54.840 -0.007 0.000 1.098 412 L CB -0.249 41.805 42.059 -0.007 0.000 2.064 412 L HN 0.813 nan 8.230 nan 0.000 0.522 413 D N -2.208 118.189 120.400 -0.006 0.000 2.467 413 D HA 0.515 5.155 4.640 0.000 0.000 0.245 413 D C 0.759 177.057 176.300 -0.004 0.000 1.038 413 D CA 0.100 54.097 54.000 -0.005 0.000 1.038 413 D CB 1.928 42.725 40.800 -0.005 0.000 1.278 413 D HN 0.775 nan 8.370 nan 0.000 0.564 414 A N -0.033 122.785 122.820 -0.004 0.000 2.234 414 A HA -0.081 4.239 4.320 0.000 0.000 0.216 414 A C 1.677 179.261 177.584 -0.001 0.000 1.167 414 A CA 1.235 53.270 52.037 -0.004 0.000 0.698 414 A CB -0.491 18.506 19.000 -0.005 0.000 0.779 414 A HN 0.440 nan 8.150 nan 0.000 0.475 415 S N -1.558 114.142 115.700 0.001 0.000 2.545 415 S HA -0.031 4.439 4.470 0.000 0.000 0.232 415 S C 1.960 176.565 174.600 0.009 0.000 1.070 415 S CA 0.953 59.157 58.200 0.006 0.000 0.923 415 S CB 0.018 63.220 63.200 0.005 0.000 0.806 415 S HN 0.833 nan 8.310 nan 0.000 0.506 416 T N 0.108 114.662 114.554 0.000 0.000 3.051 416 T HA 0.253 4.603 4.350 0.000 0.000 0.255 416 T C 1.872 176.571 174.700 -0.001 0.000 1.085 416 T CA 0.937 63.034 62.100 -0.005 0.000 1.109 416 T CB -0.317 68.543 68.868 -0.013 0.000 0.921 416 T HN 0.352 nan 8.240 nan 0.000 0.488 417 K N 1.499 121.899 120.400 0.000 0.000 2.116 417 K HA 0.080 4.400 4.320 0.000 0.000 0.203 417 K C 2.221 178.825 176.600 0.007 0.000 1.052 417 K CA 1.495 57.782 56.287 0.001 0.000 0.952 417 K CB -1.036 31.462 32.500 -0.003 0.000 0.729 417 K HN 0.597 nan 8.250 nan 0.000 0.446 418 Q N 1.244 121.049 119.800 0.009 0.000 2.084 418 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 418 Q C 2.107 178.133 176.000 0.043 0.000 0.978 418 Q CA 3.091 58.902 55.803 0.014 0.000 0.844 418 Q CB -0.667 28.076 28.738 0.008 0.000 0.898 418 Q HN 0.616 nan 8.270 nan 0.000 0.426 419 T N -2.631 111.960 114.554 0.060 0.000 3.043 419 T HA 0.110 4.460 4.350 0.000 0.000 0.263 419 T C 2.160 176.907 174.700 0.079 0.000 1.094 419 T CA 1.138 63.309 62.100 0.118 0.000 1.127 419 T CB -0.961 67.961 68.868 0.090 0.000 0.905 419 T HN 0.291 nan 8.240 nan 0.000 0.490 420 L N 1.179 122.421 121.223 0.031 0.000 2.093 420 L HA 0.206 4.546 4.340 0.000 0.000 0.208 420 L C 3.028 179.916 176.870 0.031 0.000 1.085 420 L CA 1.703 56.553 54.840 0.017 0.000 0.755 420 L CB -1.752 40.308 42.059 0.003 0.000 0.904 420 L HN 0.415 nan 8.230 nan 0.000 0.435 421 V N -0.871 119.060 119.914 0.030 0.000 2.255 421 V HA -0.227 3.893 4.120 0.000 0.000 0.243 421 V C 2.748 178.862 176.094 0.033 0.000 1.038 421 V CA 1.974 64.286 62.300 0.020 0.000 1.008 421 V CB -0.625 31.198 31.823 0.001 0.000 0.645 421 V HN 0.778 nan 8.190 nan 0.000 0.449 422 R N 0.155 120.686 120.500 0.052 0.000 2.103 422 R HA -0.187 4.153 4.340 0.000 0.000 0.242 422 R C 2.283 178.648 176.300 0.107 0.000 1.142 422 R CA 1.979 58.109 56.100 0.049 0.000 0.960 422 R CB -0.818 29.512 30.300 0.048 0.000 0.858 422 R HN 0.567 nan 8.270 nan 0.000 0.439 423 G N 0.168 109.093 108.800 0.208 0.000 2.433 423 G HA2 -0.312 3.648 3.960 0.000 0.000 0.216 423 G HA3 -0.312 3.648 3.960 0.000 0.000 0.216 423 G C 1.220 176.184 174.900 0.107 0.000 1.186 423 G CA 0.915 46.152 45.100 0.228 0.000 0.779 423 G HN 0.431 nan 8.290 nan 0.000 0.543 424 E N -0.075 120.164 120.200 0.064 0.000 2.070 424 E HA -0.179 4.171 4.350 0.000 0.000 0.197 424 E C 2.728 179.345 176.600 0.028 0.000 1.004 424 E CA 1.200 57.621 56.400 0.036 0.000 0.805 424 E CB -0.033 29.680 29.700 0.022 0.000 0.744 424 E HN 0.313 nan 8.360 nan 0.000 0.451 425 R N -0.155 120.356 120.500 0.018 0.000 2.073 425 R HA -0.099 4.241 4.340 0.000 0.000 0.234 425 R C 2.410 178.716 176.300 0.010 0.000 1.134 425 R CA 1.114 57.212 56.100 -0.003 0.000 0.952 425 R CB -0.296 29.981 30.300 -0.037 0.000 0.850 425 R HN 0.181 nan 8.270 nan 0.000 0.433 426 L N -0.221 121.016 121.223 0.023 0.000 2.079 426 L HA -0.227 4.113 4.340 0.000 0.000 0.210 426 L C 2.086 178.980 176.870 0.040 0.000 1.081 426 L CA 1.569 56.427 54.840 0.030 0.000 0.752 426 L CB -0.544 41.542 42.059 0.044 0.000 0.896 426 L HN 0.314 nan 8.230 nan 0.000 0.433 427 T N -2.135 112.445 114.554 0.044 0.000 2.851 427 T HA -0.195 4.155 4.350 0.000 0.000 0.262 427 T C 1.805 176.520 174.700 0.024 0.000 1.043 427 T CA 0.922 63.042 62.100 0.034 0.000 1.140 427 T CB -0.127 68.760 68.868 0.033 0.000 0.872 427 T HN 0.145 nan 8.240 nan 0.000 0.446 428 Q N 0.777 120.592 119.800 0.024 0.000 2.170 428 Q HA 0.031 4.371 4.340 0.000 0.000 0.203 428 Q C 2.033 178.054 176.000 0.035 0.000 0.976 428 Q CA 0.988 56.806 55.803 0.024 0.000 0.858 428 Q CB -0.618 28.136 28.738 0.026 0.000 0.907 428 Q HN 0.434 nan 8.270 nan 0.000 0.433 429 L N -0.665 120.582 121.223 0.041 0.000 2.056 429 L HA 0.011 4.351 4.340 0.000 0.000 0.207 429 L C 1.413 178.312 176.870 0.049 0.000 1.078 429 L CA 1.405 56.281 54.840 0.060 0.000 0.749 429 L CB -0.110 41.988 42.059 0.064 0.000 0.901 429 L HN 0.281 nan 8.230 nan 0.000 0.433 430 L N -0.326 120.918 121.223 0.035 0.000 2.660 430 L HA 0.040 4.380 4.340 0.000 0.000 0.238 430 L C 0.791 177.666 176.870 0.008 0.000 1.161 430 L CA 0.027 54.882 54.840 0.025 0.000 0.937 430 L CB -0.561 41.513 42.059 0.025 0.000 1.122 430 L HN 0.095 nan 8.230 nan 0.000 0.435 431 K N 0.623 121.026 120.400 0.005 0.000 2.168 431 K HA 0.384 4.704 4.320 0.000 0.000 0.258 431 K C -0.285 176.306 176.600 -0.015 0.000 1.010 431 K CA -0.099 56.178 56.287 -0.018 0.000 0.929 431 K CB 0.944 33.432 32.500 -0.019 0.000 0.998 431 K HN -0.009 nan 8.250 nan 0.000 0.479 432 Q N 1.003 120.780 119.800 -0.039 0.000 2.386 432 Q HA 0.197 4.537 4.340 0.000 0.000 0.274 432 Q C -1.722 174.245 176.000 -0.055 0.000 1.011 432 Q CA -0.696 55.087 55.803 -0.033 0.000 0.867 432 Q CB 1.750 30.470 28.738 -0.029 0.000 1.409 432 Q HN 0.518 nan 8.270 nan 0.000 0.395 433 N N 1.463 120.143 118.700 -0.034 0.000 2.530 433 N HA 0.134 4.874 4.740 0.000 0.000 0.277 433 N C -0.902 174.568 175.510 -0.066 0.000 1.168 433 N CA -0.416 52.611 53.050 -0.037 0.000 0.979 433 N CB 0.766 39.258 38.487 0.008 0.000 1.141 433 N HN 0.412 nan 8.380 nan 0.000 0.459 434 Q N 0.973 120.694 119.800 -0.131 0.000 2.373 434 Q HA 0.017 4.357 4.340 0.000 0.000 0.255 434 Q C -0.552 175.308 176.000 -0.233 0.000 0.980 434 Q CA -0.140 55.461 55.803 -0.337 0.000 0.882 434 Q CB 0.230 28.600 28.738 -0.613 0.000 1.249 434 Q HN 0.683 nan 8.270 nan 0.000 0.438 435 Y N -0.086 120.208 120.300 -0.010 0.000 3.825 435 Y HA -0.248 4.302 4.550 0.000 0.000 0.221 435 Y C -0.164 175.762 175.900 0.043 0.000 1.195 435 Y CA 0.774 58.865 58.100 -0.014 0.000 1.699 435 Y CB -2.293 36.175 38.460 0.013 0.000 1.531 435 Y HN 0.385 nan 8.280 nan 0.000 0.640 436 S N -0.648 115.109 115.700 0.096 0.000 2.526 436 S HA 0.355 4.825 4.470 0.000 0.000 0.220 436 S C -2.477 172.147 174.600 0.041 0.000 1.159 436 S CA -0.873 57.374 58.200 0.077 0.000 1.196 436 S CB 0.894 64.130 63.200 0.060 0.000 1.225 436 S HN 0.034 nan 8.310 nan 0.000 0.432 437 P HA 0.358 nan 4.420 nan 0.000 0.279 437 P C -0.678 176.634 177.300 0.020 0.000 1.239 437 P CA -0.388 62.731 63.100 0.031 0.000 0.789 437 P CB 0.634 32.360 31.700 0.043 0.000 0.933 438 L N 1.467 122.700 121.223 0.016 0.000 2.331 438 L HA 0.720 5.060 4.340 0.000 0.000 0.275 438 L C 0.668 177.545 176.870 0.012 0.000 1.022 438 L CA -1.237 53.604 54.840 0.002 0.000 0.812 438 L CB 1.372 43.429 42.059 -0.002 0.000 1.257 438 L HN 0.332 nan 8.230 nan 0.000 0.435 439 A N 1.092 123.906 122.820 -0.010 0.000 2.332 439 A HA 0.341 4.661 4.320 0.000 0.000 0.258 439 A C 1.199 178.800 177.584 0.029 0.000 1.087 439 A CA -0.240 51.804 52.037 0.012 0.000 0.802 439 A CB 0.457 19.427 19.000 -0.049 0.000 1.042 439 A HN 0.875 nan 8.150 nan 0.000 0.489 440 T N 0.936 115.533 114.554 0.072 0.000 2.721 440 T HA -0.177 4.173 4.350 0.000 0.000 0.268 440 T C 1.608 176.319 174.700 0.019 0.000 1.038 440 T CA 2.005 64.138 62.100 0.054 0.000 1.145 440 T CB -0.189 68.724 68.868 0.075 0.000 0.858 440 T HN 0.868 nan 8.240 nan 0.000 0.459 441 E N 1.442 121.642 120.200 0.001 0.000 2.427 441 E HA -0.077 4.273 4.350 0.000 0.000 0.196 441 E C 1.391 177.953 176.600 -0.063 0.000 1.028 441 E CA 0.780 57.160 56.400 -0.033 0.000 0.864 441 E CB -0.183 29.493 29.700 -0.041 0.000 0.813 441 E HN 0.569 nan 8.360 nan 0.000 0.514 442 E N 0.471 120.638 120.200 -0.055 0.000 2.318 442 E HA 0.002 4.352 4.350 0.000 0.000 0.193 442 E C 2.016 178.590 176.600 -0.044 0.000 0.998 442 E CA 0.283 56.639 56.400 -0.074 0.000 0.859 442 E CB 0.228 29.888 29.700 -0.066 0.000 0.812 442 E HN 0.336 nan 8.360 nan 0.000 0.492 443 Q N 0.207 120.000 119.800 -0.011 0.000 2.061 443 Q HA -0.051 4.289 4.340 0.000 0.000 0.195 443 Q C 2.414 178.433 176.000 0.032 0.000 0.967 443 Q CA 0.822 56.634 55.803 0.016 0.000 0.829 443 Q CB 0.057 28.810 28.738 0.026 0.000 0.900 443 Q HN 0.103 nan 8.270 nan 0.000 0.450 444 V N 2.080 122.010 119.914 0.026 0.000 2.250 444 V HA -0.260 3.860 4.120 0.000 0.000 0.253 444 V C -0.807 175.333 176.094 0.076 0.000 1.065 444 V CA 2.429 64.757 62.300 0.047 0.000 1.039 444 V CB -1.592 30.244 31.823 0.022 0.000 0.647 444 V HN 0.287 nan 8.190 nan 0.000 0.446 445 P HA -0.071 nan 4.420 nan 0.000 0.217 445 P C 1.877 179.285 177.300 0.181 0.000 1.150 445 P CA 2.196 65.317 63.100 0.036 0.000 0.832 445 P CB -0.216 31.388 31.700 -0.159 0.000 0.787 446 L N -0.656 120.642 121.223 0.125 0.000 2.017 446 L HA -0.154 4.186 4.340 0.000 0.000 0.208 446 L C 2.439 179.419 176.870 0.183 0.000 1.073 446 L CA 2.112 57.062 54.840 0.183 0.000 0.745 446 L CB -2.233 39.892 42.059 0.108 0.000 0.894 446 L HN -0.084 nan 8.230 nan 0.000 0.432 447 I N -1.601 119.051 120.570 0.137 0.000 2.252 447 I HA -0.227 3.943 4.170 0.000 0.000 0.245 447 I C 2.546 178.737 176.117 0.123 0.000 1.102 447 I CA 1.743 63.107 61.300 0.106 0.000 1.385 447 I CB -1.203 36.843 38.000 0.077 0.000 1.064 447 I HN 0.635 nan 8.210 nan 0.000 0.414 448 Y N 2.232 122.567 120.300 0.059 0.000 2.053 448 Y HA -0.315 4.235 4.550 0.000 0.000 0.277 448 Y C 2.698 178.654 175.900 0.094 0.000 1.159 448 Y CA 2.476 60.613 58.100 0.061 0.000 1.125 448 Y CB -0.356 38.134 38.460 0.050 0.000 0.969 448 Y HN 0.129 nan 8.280 nan 0.000 0.492 449 A N -0.036 122.983 122.820 0.333 0.000 1.986 449 A HA -0.163 4.157 4.320 0.000 0.000 0.220 449 A C 2.372 180.051 177.584 0.159 0.000 1.171 449 A CA 1.930 54.111 52.037 0.239 0.000 0.640 449 A CB -1.689 17.459 19.000 0.247 0.000 0.811 449 A HN 0.663 nan 8.150 nan 0.000 0.451 450 G N -0.911 107.940 108.800 0.084 0.000 2.425 450 G HA2 -0.005 3.955 3.960 0.000 0.000 0.213 450 G HA3 -0.005 3.955 3.960 0.000 0.000 0.213 450 G C 1.483 176.334 174.900 -0.082 0.000 1.201 450 G CA 0.968 46.067 45.100 -0.001 0.000 0.799 450 G HN 0.279 nan 8.290 nan 0.000 0.534 451 V N 1.893 121.735 119.914 -0.121 0.000 2.392 451 V HA -0.192 3.928 4.120 0.000 0.000 0.249 451 V C 2.410 178.352 176.094 -0.254 0.000 1.059 451 V CA 1.783 63.951 62.300 -0.219 0.000 1.051 451 V CB -0.403 31.298 31.823 -0.203 0.000 0.658 451 V HN 0.365 nan 8.190 nan 0.000 0.455 452 N N -0.243 118.308 118.700 -0.249 0.000 2.494 452 N HA 0.026 4.766 4.740 0.000 0.000 0.182 452 N C 1.537 176.875 175.510 -0.287 0.000 1.076 452 N CA 1.165 54.054 53.050 -0.268 0.000 0.908 452 N CB 0.891 39.169 38.487 -0.348 0.000 0.967 452 N HN 0.623 nan 8.380 nan 0.000 0.449 453 G N 0.216 108.883 108.800 -0.221 0.000 2.192 453 G HA2 -0.207 3.753 3.960 0.000 0.000 0.193 453 G HA3 -0.207 3.753 3.960 0.000 0.000 0.193 453 G C 0.439 175.188 174.900 -0.250 0.000 0.999 453 G CA 0.037 44.991 45.100 -0.243 0.000 0.659 453 G HN 0.427 nan 8.290 nan 0.000 0.503 454 H N -0.289 118.718 119.070 -0.105 0.000 2.491 454 H HA 0.294 4.850 4.556 0.000 0.000 0.290 454 H C 3.058 178.279 175.328 -0.180 0.000 1.050 454 H CA 1.983 57.972 56.048 -0.098 0.000 1.309 454 H CB -0.202 29.532 29.762 -0.047 0.000 1.392 454 H HN 0.795 nan 8.280 nan 0.000 0.554 455 L N 0.247 121.405 121.223 -0.109 0.000 2.395 455 L HA -0.020 4.320 4.340 0.000 0.000 0.218 455 L C 1.724 178.483 176.870 -0.185 0.000 1.130 455 L CA 1.834 56.518 54.840 -0.260 0.000 0.826 455 L CB -0.670 41.249 42.059 -0.233 0.000 0.941 455 L HN 0.231 nan 8.230 nan 0.000 0.451 456 D N 0.862 121.186 120.400 -0.126 0.000 2.178 456 D HA -0.081 4.559 4.640 0.000 0.000 0.201 456 D C 2.031 178.284 176.300 -0.079 0.000 0.980 456 D CA 1.568 55.513 54.000 -0.091 0.000 0.842 456 D CB -0.272 40.479 40.800 -0.082 0.000 0.948 456 D HN 0.560 nan 8.370 nan 0.000 0.472 457 G N -0.113 108.637 108.800 -0.083 0.000 3.440 457 G HA2 0.357 4.317 3.960 0.000 0.000 0.263 457 G HA3 0.357 4.317 3.960 0.000 0.000 0.263 457 G C 0.305 175.174 174.900 -0.052 0.000 1.236 457 G CA -0.217 44.848 45.100 -0.059 0.000 0.927 457 G HN 0.136 nan 8.290 nan 0.000 0.530 458 I N -0.287 120.240 120.570 -0.072 0.000 2.646 458 I HA 0.514 4.684 4.170 0.000 0.000 0.299 458 I C 0.586 176.689 176.117 -0.023 0.000 1.036 458 I CA -1.163 60.114 61.300 -0.038 0.000 1.074 458 I CB 1.852 39.781 38.000 -0.118 0.000 1.258 458 I HN 0.144 nan 8.210 nan 0.000 0.430 459 E N 3.721 123.927 120.200 0.010 0.000 2.415 459 E HA 0.057 4.407 4.350 0.000 0.000 0.262 459 E C 0.534 177.146 176.600 0.020 0.000 1.038 459 E CA -0.204 56.201 56.400 0.008 0.000 0.921 459 E CB 0.572 30.274 29.700 0.004 0.000 0.950 459 E HN 0.670 nan 8.360 nan 0.000 0.438 460 L N 1.921 123.151 121.223 0.011 0.000 2.005 460 L HA -0.075 4.265 4.340 0.000 0.000 0.207 460 L C 2.331 179.223 176.870 0.036 0.000 1.072 460 L CA 2.829 57.678 54.840 0.016 0.000 0.744 460 L CB -0.436 41.629 42.059 0.010 0.000 0.895 460 L HN 0.693 nan 8.230 nan 0.000 0.433 461 S N -1.072 114.650 115.700 0.036 0.000 2.851 461 S HA 0.156 4.626 4.470 0.000 0.000 0.227 461 S C 1.449 176.092 174.600 0.072 0.000 0.958 461 S CA 0.437 58.665 58.200 0.046 0.000 0.990 461 S CB -0.642 62.578 63.200 0.032 0.000 0.790 461 S HN 0.543 nan 8.310 nan 0.000 0.509 462 R N 0.218 120.780 120.500 0.103 0.000 2.531 462 R HA 0.518 4.858 4.340 0.000 0.000 0.316 462 R C 1.424 177.895 176.300 0.284 0.000 0.955 462 R CA 0.222 56.433 56.100 0.185 0.000 1.120 462 R CB -0.825 29.577 30.300 0.170 0.000 1.361 462 R HN 0.478 nan 8.270 nan 0.000 0.534 463 I N 1.068 121.746 120.570 0.180 0.000 2.202 463 I HA -0.089 4.081 4.170 0.000 0.000 0.242 463 I C 2.746 178.999 176.117 0.227 0.000 1.091 463 I CA 2.042 63.446 61.300 0.173 0.000 1.368 463 I CB -1.321 36.724 38.000 0.075 0.000 1.058 463 I HN 0.381 nan 8.210 nan 0.000 0.410 464 G N 1.876 110.775 108.800 0.165 0.000 2.556 464 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 464 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 464 G C 1.443 176.445 174.900 0.169 0.000 1.156 464 G CA 1.320 46.505 45.100 0.140 0.000 0.766 464 G HN 0.666 nan 8.290 nan 0.000 0.583 465 E N -0.798 119.536 120.200 0.224 0.000 2.285 465 E HA 0.043 4.393 4.350 0.000 0.000 0.194 465 E C 2.085 178.851 176.600 0.278 0.000 0.997 465 E CA 0.311 56.859 56.400 0.247 0.000 0.845 465 E CB -0.453 29.415 29.700 0.281 0.000 0.782 465 E HN 0.432 nan 8.360 nan 0.000 0.491 466 F N 2.340 122.371 119.950 0.135 0.000 2.134 466 F HA -0.178 4.349 4.527 0.000 0.000 0.299 466 F C 2.261 178.042 175.800 -0.032 0.000 1.097 466 F CA 2.064 59.989 58.000 -0.126 0.000 1.264 466 F CB -0.013 38.848 39.000 -0.232 0.000 1.001 466 F HN 0.064 nan 8.300 nan 0.000 0.479 467 E N 0.291 120.542 120.200 0.085 0.000 2.021 467 E HA -0.285 4.065 4.350 0.000 0.000 0.200 467 E C 2.257 178.809 176.600 -0.080 0.000 1.015 467 E CA 2.409 58.813 56.400 0.006 0.000 0.824 467 E CB -0.342 29.405 29.700 0.080 0.000 0.762 467 E HN 0.534 nan 8.360 nan 0.000 0.454 468 S N 0.254 115.946 115.700 -0.013 0.000 2.356 468 S HA -0.161 4.309 4.470 0.000 0.000 0.223 468 S C 2.280 176.859 174.600 -0.037 0.000 1.032 468 S CA 1.419 59.611 58.200 -0.014 0.000 1.005 468 S CB -0.483 62.738 63.200 0.034 0.000 0.867 468 S HN 0.202 nan 8.310 nan 0.000 0.449 469 S N 1.620 117.319 115.700 -0.001 0.000 2.359 469 S HA -0.037 4.433 4.470 0.000 0.000 0.224 469 S C 1.498 175.988 174.600 -0.183 0.000 1.035 469 S CA 1.369 59.604 58.200 0.059 0.000 1.018 469 S CB -0.642 62.742 63.200 0.307 0.000 0.876 469 S HN 0.502 nan 8.310 nan 0.000 0.448 470 F N 2.751 122.223 119.950 -0.798 0.000 2.146 470 F HA -0.010 4.517 4.527 0.000 0.000 0.298 470 F C 2.624 178.092 175.800 -0.553 0.000 1.096 470 F CA 0.839 58.124 58.000 -1.191 0.000 1.275 470 F CB -1.101 37.015 39.000 -1.473 0.000 1.008 470 F HN 0.136 nan 8.300 nan 0.000 0.480 471 L N -1.236 119.751 121.223 -0.393 0.000 2.012 471 L HA -0.183 4.157 4.340 0.000 0.000 0.210 471 L C 2.604 179.327 176.870 -0.246 0.000 1.073 471 L CA 2.636 57.280 54.840 -0.327 0.000 0.748 471 L CB -1.861 40.085 42.059 -0.189 0.000 0.891 471 L HN 0.309 nan 8.230 nan 0.000 0.431 472 S N -2.375 113.233 115.700 -0.152 0.000 2.402 472 S HA -0.154 4.316 4.470 0.000 0.000 0.229 472 S C 2.006 176.576 174.600 -0.050 0.000 1.021 472 S CA 1.402 59.557 58.200 -0.075 0.000 0.974 472 S CB -0.495 62.704 63.200 -0.002 0.000 0.800 472 S HN 0.878 nan 8.310 nan 0.000 0.484 473 Y N 1.724 121.901 120.300 -0.204 0.000 2.243 473 Y HA 0.096 4.646 4.550 0.000 0.000 0.293 473 Y C 1.657 177.476 175.900 -0.134 0.000 1.124 473 Y CA 1.209 59.232 58.100 -0.128 0.000 1.159 473 Y CB -0.264 38.097 38.460 -0.166 0.000 1.008 473 Y HN 0.145 nan 8.280 nan 0.000 0.527 474 L N 0.017 120.997 121.223 -0.406 0.000 2.240 474 L HA -0.096 4.244 4.340 0.000 0.000 0.211 474 L C 2.277 178.973 176.870 -0.289 0.000 1.106 474 L CA 1.053 55.647 54.840 -0.409 0.000 0.793 474 L CB -0.386 41.342 42.059 -0.552 0.000 0.927 474 L HN 0.081 nan 8.230 nan 0.000 0.446 475 K N -0.377 119.873 120.400 -0.249 0.000 2.155 475 K HA -0.051 4.269 4.320 0.000 0.000 0.203 475 K C 2.184 178.681 176.600 -0.172 0.000 1.052 475 K CA 1.218 57.395 56.287 -0.183 0.000 0.948 475 K CB 0.053 32.466 32.500 -0.145 0.000 0.728 475 K HN 0.149 nan 8.250 nan 0.000 0.448 476 S N 0.717 116.303 115.700 -0.190 0.000 2.446 476 S HA 0.012 4.482 4.470 0.000 0.000 0.225 476 S C 1.015 175.477 174.600 -0.231 0.000 1.016 476 S CA 0.981 59.081 58.200 -0.167 0.000 0.943 476 S CB 0.030 63.163 63.200 -0.112 0.000 0.786 476 S HN 0.331 nan 8.310 nan 0.000 0.508 477 N N -0.147 118.335 118.700 -0.362 0.000 2.529 477 N HA 0.102 4.842 4.740 0.000 0.000 0.231 477 N C 0.154 175.302 175.510 -0.603 0.000 1.072 477 N CA 0.322 53.065 53.050 -0.512 0.000 0.854 477 N CB 0.100 38.157 38.487 -0.718 0.000 1.465 477 N HN 0.279 nan 8.380 nan 0.000 0.452 478 H N 0.188 119.067 119.070 -0.318 0.000 2.579 478 H HA 0.289 4.845 4.556 0.000 0.000 0.289 478 H C 0.158 175.362 175.328 -0.207 0.000 1.270 478 H CA -0.047 55.855 56.048 -0.244 0.000 1.060 478 H CB -0.005 29.598 29.762 -0.266 0.000 1.554 478 H HN 0.256 nan 8.280 nan 0.000 0.515 479 N N 0.721 119.344 118.700 -0.129 0.000 2.396 479 N HA -0.115 4.625 4.740 0.000 0.000 0.180 479 N C 1.749 177.209 175.510 -0.083 0.000 1.028 479 N CA 0.390 53.374 53.050 -0.110 0.000 0.893 479 N CB 0.466 38.885 38.487 -0.113 0.000 0.967 479 N HN 0.295 nan 8.380 nan 0.000 0.440 480 E N 0.450 120.604 120.200 -0.077 0.000 2.065 480 E HA -0.224 4.126 4.350 0.000 0.000 0.201 480 E C 1.697 178.269 176.600 -0.046 0.000 1.016 480 E CA 0.932 57.299 56.400 -0.055 0.000 0.818 480 E CB -0.303 29.370 29.700 -0.045 0.000 0.749 480 E HN 0.386 nan 8.360 nan 0.000 0.453 481 L N 0.459 121.658 121.223 -0.040 0.000 2.005 481 L HA -0.125 4.215 4.340 0.000 0.000 0.207 481 L C 2.615 179.441 176.870 -0.073 0.000 1.072 481 L CA 1.256 56.062 54.840 -0.057 0.000 0.744 481 L CB -1.283 40.733 42.059 -0.071 0.000 0.895 481 L HN 0.174 nan 8.230 nan 0.000 0.433 482 L N -0.989 120.182 121.223 -0.087 0.000 2.450 482 L HA -0.152 4.188 4.340 0.000 0.000 0.224 482 L C 2.284 179.113 176.870 -0.068 0.000 1.149 482 L CA 0.574 55.359 54.840 -0.091 0.000 0.816 482 L CB -0.940 41.050 42.059 -0.115 0.000 0.932 482 L HN 0.307 nan 8.230 nan 0.000 0.449 483 T N -0.566 113.952 114.554 -0.059 0.000 2.770 483 T HA -0.118 4.232 4.350 0.000 0.000 0.258 483 T C 2.334 177.014 174.700 -0.034 0.000 1.039 483 T CA 1.491 63.564 62.100 -0.045 0.000 1.143 483 T CB -0.203 68.639 68.868 -0.044 0.000 0.866 483 T HN 0.547 nan 8.240 nan 0.000 0.428 484 E N 1.063 121.242 120.200 -0.035 0.000 2.118 484 E HA -0.060 4.290 4.350 0.000 0.000 0.195 484 E C 2.257 178.843 176.600 -0.023 0.000 0.992 484 E CA 1.653 58.036 56.400 -0.027 0.000 0.804 484 E CB -1.570 28.112 29.700 -0.030 0.000 0.741 484 E HN 0.651 nan 8.360 nan 0.000 0.458 485 I N 0.984 121.535 120.570 -0.031 0.000 2.163 485 I HA -0.014 4.156 4.170 0.000 0.000 0.240 485 I C 2.707 178.821 176.117 -0.006 0.000 1.081 485 I CA 2.441 63.727 61.300 -0.023 0.000 1.353 485 I CB -1.027 36.950 38.000 -0.037 0.000 1.054 485 I HN 0.474 nan 8.210 nan 0.000 0.407 486 R N 0.343 120.838 120.500 -0.009 0.000 2.073 486 R HA -0.172 4.168 4.340 0.000 0.000 0.234 486 R C 2.537 178.849 176.300 0.020 0.000 1.134 486 R CA 2.365 58.472 56.100 0.011 0.000 0.952 486 R CB -0.473 29.824 30.300 -0.005 0.000 0.850 486 R HN 0.697 nan 8.270 nan 0.000 0.433 487 E N 0.397 120.600 120.200 0.005 0.000 2.047 487 E HA -0.188 4.162 4.350 0.000 0.000 0.191 487 E C 2.095 178.701 176.600 0.011 0.000 0.987 487 E CA 1.989 58.394 56.400 0.008 0.000 0.799 487 E CB -0.802 28.896 29.700 -0.003 0.000 0.752 487 E HN 0.645 nan 8.360 nan 0.000 0.449 488 K N -1.119 119.284 120.400 0.006 0.000 2.005 488 K HA 0.351 4.671 4.320 0.000 0.000 0.206 488 K C 2.417 179.024 176.600 0.012 0.000 1.044 488 K CA 1.782 58.073 56.287 0.007 0.000 0.942 488 K CB -1.007 31.494 32.500 0.002 0.000 0.727 488 K HN 1.689 nan 8.250 nan 0.000 0.439 489 G N -1.232 107.575 108.800 0.013 0.000 2.136 489 G HA2 0.167 4.127 3.960 0.000 0.000 0.242 489 G HA3 0.167 4.127 3.960 0.000 0.000 0.242 489 G C 0.242 175.149 174.900 0.012 0.000 0.989 489 G CA 1.410 46.520 45.100 0.015 0.000 0.682 489 G HN 1.451 nan 8.290 nan 0.000 0.522 490 E N -2.573 117.632 120.200 0.009 0.000 2.442 490 E HA 1.120 5.470 4.350 0.000 0.000 0.261 490 E C -0.045 176.559 176.600 0.006 0.000 0.935 490 E CA 0.210 56.616 56.400 0.010 0.000 0.856 490 E CB 0.795 30.501 29.700 0.010 0.000 1.571 490 E HN 2.091 nan 8.360 nan 0.000 0.431 491 L N -0.856 120.372 121.223 0.009 0.000 2.397 491 L HA 1.028 5.368 4.340 0.000 0.000 0.251 491 L C 0.227 177.101 176.870 0.006 0.000 1.064 491 L CA -0.146 54.696 54.840 0.004 0.000 0.859 491 L CB 1.156 43.222 42.059 0.011 0.000 1.468 491 L HN 1.679 nan 8.230 nan 0.000 0.411 492 S N -2.074 113.627 115.700 0.003 0.000 2.570 492 S HA 0.677 5.147 4.470 0.000 0.000 0.270 492 S C 0.745 175.349 174.600 0.007 0.000 1.149 492 S CA 0.483 58.686 58.200 0.006 0.000 0.837 492 S CB 1.239 64.440 63.200 0.001 0.000 1.124 492 S HN 2.271 nan 8.310 nan 0.000 0.465 493 K N 0.497 120.905 120.400 0.014 0.000 2.074 493 K HA -0.046 4.274 4.320 0.000 0.000 0.209 493 K C 2.368 178.975 176.600 0.011 0.000 1.048 493 K CA 2.794 59.092 56.287 0.019 0.000 0.926 493 K CB -2.167 30.345 32.500 0.020 0.000 0.713 493 K HN 1.068 nan 8.250 nan 0.000 0.444 494 E N 0.542 120.745 120.200 0.004 0.000 2.077 494 E HA 0.022 4.372 4.350 0.000 0.000 0.193 494 E C 2.151 178.742 176.600 -0.015 0.000 0.989 494 E CA 1.270 57.669 56.400 -0.001 0.000 0.800 494 E CB -0.542 29.157 29.700 -0.001 0.000 0.746 494 E HN 0.541 nan 8.360 nan 0.000 0.452 495 L N -0.334 120.876 121.223 -0.023 0.000 2.141 495 L HA -0.051 4.289 4.340 0.000 0.000 0.209 495 L C 3.203 180.024 176.870 -0.081 0.000 1.094 495 L CA 1.385 56.197 54.840 -0.046 0.000 0.763 495 L CB -0.213 41.821 42.059 -0.041 0.000 0.908 495 L HN 0.534 nan 8.230 nan 0.000 0.437 496 L N -1.719 119.467 121.223 -0.061 0.000 2.072 496 L HA 0.047 4.387 4.340 0.000 0.000 0.205 496 L C 2.766 179.591 176.870 -0.075 0.000 1.079 496 L CA 1.912 56.700 54.840 -0.088 0.000 0.752 496 L CB -2.018 40.055 42.059 0.023 0.000 0.906 496 L HN 0.357 nan 8.230 nan 0.000 0.436 497 A N -1.342 121.468 122.820 -0.017 0.000 1.940 497 A HA -0.213 4.107 4.320 0.000 0.000 0.219 497 A C 2.776 180.348 177.584 -0.020 0.000 1.176 497 A CA 2.197 54.237 52.037 0.004 0.000 0.631 497 A CB -0.840 18.170 19.000 0.016 0.000 0.814 497 A HN 0.701 nan 8.150 nan 0.000 0.446 498 S N -1.204 114.468 115.700 -0.046 0.000 2.387 498 S HA -0.065 4.405 4.470 0.000 0.000 0.226 498 S C 1.847 176.376 174.600 -0.117 0.000 1.026 498 S CA 1.257 59.425 58.200 -0.053 0.000 0.972 498 S CB -0.343 62.831 63.200 -0.043 0.000 0.814 498 S HN 0.437 nan 8.310 nan 0.000 0.477 499 L N 1.985 123.086 121.223 -0.204 0.000 2.156 499 L HA 0.121 4.461 4.340 0.000 0.000 0.208 499 L C 2.621 179.276 176.870 -0.358 0.000 1.095 499 L CA 2.221 56.853 54.840 -0.346 0.000 0.770 499 L CB -0.836 40.900 42.059 -0.540 0.000 0.914 499 L HN 0.360 nan 8.230 nan 0.000 0.439 500 K N -1.508 118.743 120.400 -0.249 0.000 2.103 500 K HA -0.045 4.275 4.320 0.000 0.000 0.204 500 K C 2.326 178.940 176.600 0.023 0.000 1.052 500 K CA 1.375 57.660 56.287 -0.002 0.000 0.945 500 K CB -1.301 31.324 32.500 0.209 0.000 0.722 500 K HN 0.398 nan 8.250 nan 0.000 0.443 501 S N 0.095 115.799 115.700 0.007 0.000 2.368 501 S HA -0.009 4.461 4.470 0.000 0.000 0.225 501 S C 2.342 176.966 174.600 0.040 0.000 1.030 501 S CA 1.452 59.676 58.200 0.039 0.000 0.999 501 S CB -0.444 62.779 63.200 0.037 0.000 0.844 501 S HN 0.754 nan 8.310 nan 0.000 0.459 502 A N -0.164 122.628 122.820 -0.047 0.000 2.168 502 A HA 0.058 4.378 4.320 0.000 0.000 0.215 502 A C 2.120 179.801 177.584 0.163 0.000 1.152 502 A CA 1.672 53.642 52.037 -0.111 0.000 0.716 502 A CB -0.691 17.914 19.000 -0.658 0.000 0.794 502 A HN 0.577 nan 8.150 nan 0.000 0.465 503 T N -0.889 113.739 114.554 0.123 0.000 2.953 503 T HA 0.163 4.513 4.350 0.000 0.000 0.247 503 T C 2.278 176.985 174.700 0.012 0.000 1.029 503 T CA 1.264 63.417 62.100 0.089 0.000 1.144 503 T CB -0.294 68.515 68.868 -0.099 0.000 0.870 503 T HN 0.670 nan 8.240 nan 0.000 0.446 504 E N 1.366 121.589 120.200 0.039 0.000 2.209 504 E HA -0.135 4.215 4.350 0.000 0.000 0.196 504 E C 2.193 178.859 176.600 0.109 0.000 0.993 504 E CA 1.668 58.148 56.400 0.132 0.000 0.819 504 E CB -0.978 28.823 29.700 0.168 0.000 0.745 504 E HN 0.443 nan 8.360 nan 0.000 0.477 505 S N -1.673 114.103 115.700 0.126 0.000 2.395 505 S HA 0.038 4.508 4.470 0.000 0.000 0.225 505 S C 1.775 176.430 174.600 0.092 0.000 1.027 505 S CA 1.017 59.296 58.200 0.131 0.000 0.965 505 S CB -0.406 62.913 63.200 0.198 0.000 0.812 505 S HN 0.609 nan 8.310 nan 0.000 0.482 506 F N 1.917 121.823 119.950 -0.073 0.000 2.128 506 F HA 0.055 4.582 4.527 0.000 0.000 0.295 506 F C 1.962 177.684 175.800 -0.131 0.000 1.100 506 F CA 1.170 59.010 58.000 -0.266 0.000 1.260 506 F CB -0.389 38.371 39.000 -0.401 0.000 1.009 506 F HN 0.022 nan 8.300 nan 0.000 0.476 507 V N 0.667 120.575 119.914 -0.010 0.000 2.594 507 V HA -0.247 3.873 4.120 0.000 0.000 0.253 507 V C 2.654 178.729 176.094 -0.031 0.000 1.069 507 V CA 1.505 63.803 62.300 -0.003 0.000 1.082 507 V CB -1.581 30.280 31.823 0.062 0.000 0.680 507 V HN 0.472 nan 8.190 nan 0.000 0.469 508 A N -0.944 121.860 122.820 -0.027 0.000 2.121 508 A HA -0.092 4.228 4.320 0.000 0.000 0.218 508 A C 1.721 179.268 177.584 -0.061 0.000 1.154 508 A CA 1.740 53.763 52.037 -0.022 0.000 0.679 508 A CB -0.212 18.793 19.000 0.008 0.000 0.795 508 A HN 0.479 nan 8.150 nan 0.000 0.458 509 T N -0.869 113.601 114.554 -0.140 0.000 3.226 509 T HA 0.532 4.882 4.350 0.000 0.000 0.378 509 T C -1.155 173.385 174.700 -0.267 0.000 1.380 509 T CA -0.569 61.431 62.100 -0.166 0.000 1.396 509 T CB -0.469 68.320 68.868 -0.130 0.000 1.044 509 T HN 0.263 nan 8.240 nan 0.000 0.586 510 F N 0.000 119.738 119.950 -0.353 0.000 2.286 510 F HA 0.000 4.527 4.527 0.000 0.000 0.279 510 F CA 0.000 57.786 58.000 -0.357 0.000 1.383 510 F CB 0.000 38.780 39.000 -0.366 0.000 1.145 510 F HN 0.000 nan 8.300 nan 0.000 0.574