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 3oeh_1_J DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AXXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.477 175.510 -0.055 0.000 1.280 26 N CA 0.000 53.028 53.050 -0.036 0.000 0.885 26 N CB 0.000 38.460 38.487 -0.045 0.000 1.341 27 L N 1.963 123.130 121.223 -0.093 0.000 2.603 27 L HA 0.574 4.914 4.340 0.000 0.000 0.242 27 L C 0.563 177.351 176.870 -0.135 0.000 1.169 27 L CA -0.364 54.403 54.840 -0.121 0.000 1.029 27 L CB 0.330 42.283 42.059 -0.177 0.000 1.361 27 L HN 0.375 nan 8.230 nan 0.000 0.439 28 N N 0.473 119.116 118.700 -0.096 0.000 2.305 28 N HA -0.021 4.719 4.740 0.000 0.000 0.179 28 N C 1.123 176.582 175.510 -0.084 0.000 1.019 28 N CA 0.866 53.863 53.050 -0.087 0.000 0.869 28 N CB 0.534 38.983 38.487 -0.062 0.000 1.000 28 N HN 0.451 nan 8.380 nan 0.000 0.431 29 E N 0.304 120.459 120.200 -0.075 0.000 2.460 29 E HA 0.067 4.417 4.350 0.000 0.000 0.200 29 E C 0.574 177.122 176.600 -0.086 0.000 1.011 29 E CA 0.263 56.621 56.400 -0.071 0.000 0.912 29 E CB 0.483 30.151 29.700 -0.053 0.000 0.953 29 E HN 0.383 nan 8.360 nan 0.000 0.494 30 T N -1.946 112.551 114.554 -0.095 0.000 2.940 30 T HA 0.784 5.134 4.350 0.000 0.000 0.288 30 T C 0.313 174.936 174.700 -0.128 0.000 1.045 30 T CA -0.786 61.252 62.100 -0.102 0.000 1.018 30 T CB 2.508 71.331 68.868 -0.075 0.000 1.151 30 T HN -0.007 nan 8.240 nan 0.000 0.529 31 G N 0.381 109.110 108.800 -0.119 0.000 2.696 31 G HA2 0.608 4.568 3.960 0.000 0.000 0.295 31 G HA3 0.608 4.568 3.960 0.000 0.000 0.295 31 G C -1.216 173.664 174.900 -0.033 0.000 1.398 31 G CA -1.040 43.997 45.100 -0.106 0.000 0.920 31 G HN 0.633 nan 8.290 nan 0.000 0.492 32 R N 0.326 120.850 120.500 0.040 0.000 2.428 32 R HA 0.453 4.794 4.340 0.000 0.000 0.294 32 R C -0.243 176.133 176.300 0.127 0.000 1.000 32 R CA -0.728 55.431 56.100 0.097 0.000 0.960 32 R CB 1.986 32.373 30.300 0.146 0.000 1.076 32 R HN 0.290 nan 8.270 nan 0.000 0.475 33 V N 5.064 125.052 119.914 0.124 0.000 2.508 33 V HA 0.031 4.151 4.120 0.000 0.000 0.281 33 V C 1.800 177.957 176.094 0.105 0.000 1.041 33 V CA 0.178 62.562 62.300 0.139 0.000 1.016 33 V CB 0.762 32.684 31.823 0.165 0.000 0.984 33 V HN 0.649 nan 8.190 nan 0.000 0.478 34 L N 4.152 125.433 121.223 0.098 0.000 2.084 34 L HA 0.376 4.716 4.340 0.000 0.000 0.202 34 L C 0.954 177.844 176.870 0.033 0.000 1.074 34 L CA 1.200 56.072 54.840 0.055 0.000 0.757 34 L CB -0.052 42.034 42.059 0.045 0.000 0.918 34 L HN 0.752 nan 8.230 nan 0.000 0.444 35 A N -0.834 122.009 122.820 0.037 0.000 2.574 35 A HA 0.638 4.958 4.320 0.000 0.000 0.297 35 A C -1.675 175.917 177.584 0.015 0.000 1.062 35 A CA -0.341 51.706 52.037 0.018 0.000 0.686 35 A CB 2.135 21.138 19.000 0.005 0.000 1.285 35 A HN -0.173 nan 8.150 nan 0.000 0.403 36 V N 0.735 120.645 119.914 -0.006 0.000 2.733 36 V HA 0.914 5.034 4.120 0.000 0.000 0.306 36 V C -0.190 175.881 176.094 -0.038 0.000 1.084 36 V CA 0.742 63.024 62.300 -0.031 0.000 0.905 36 V CB 1.883 33.669 31.823 -0.061 0.000 1.010 36 V HN 2.121 nan 8.190 nan 0.000 0.424 37 G N 3.428 112.202 108.800 -0.044 0.000 2.716 37 G HA2 0.509 4.469 3.960 0.000 0.000 0.299 37 G HA3 0.509 4.469 3.960 0.000 0.000 0.299 37 G C -0.813 174.061 174.900 -0.042 0.000 1.450 37 G CA -0.042 45.034 45.100 -0.039 0.000 0.968 37 G HN 0.824 nan 8.290 nan 0.000 0.566 38 D N 0.269 120.645 120.400 -0.040 0.000 2.751 38 D HA -0.200 4.440 4.640 0.000 0.000 0.233 38 D C 1.594 177.868 176.300 -0.043 0.000 1.149 38 D CA 2.588 56.566 54.000 -0.036 0.000 0.682 38 D CB -1.088 39.692 40.800 -0.033 0.000 1.068 38 D HN 2.208 nan 8.370 nan 0.000 0.429 39 G N -0.606 108.160 108.800 -0.057 0.000 2.153 39 G HA2 -0.296 3.664 3.960 0.000 0.000 0.252 39 G HA3 -0.296 3.664 3.960 0.000 0.000 0.252 39 G C 0.214 175.069 174.900 -0.076 0.000 0.994 39 G CA 0.315 45.373 45.100 -0.069 0.000 0.698 39 G HN 0.514 nan 8.290 nan 0.000 0.521 40 I N 0.933 121.463 120.570 -0.066 0.000 2.390 40 I HA 0.614 4.784 4.170 0.000 0.000 0.283 40 I C 0.581 176.674 176.117 -0.040 0.000 1.016 40 I CA -0.919 60.350 61.300 -0.051 0.000 1.151 40 I CB 0.985 38.960 38.000 -0.042 0.000 1.293 40 I HN 0.283 nan 8.210 nan 0.000 0.458 41 A N 7.395 130.202 122.820 -0.021 0.000 2.289 41 A HA 0.618 4.938 4.320 0.000 0.000 0.298 41 A C 0.153 177.788 177.584 0.084 0.000 1.208 41 A CA -0.580 51.479 52.037 0.037 0.000 0.845 41 A CB 0.526 19.578 19.000 0.087 0.000 1.125 41 A HN 0.697 nan 8.150 nan 0.000 0.517 42 R N 1.731 122.273 120.500 0.069 0.000 2.229 42 R HA 0.522 4.862 4.340 0.000 0.000 0.328 42 R C -1.122 175.238 176.300 0.101 0.000 1.009 42 R CA -0.230 55.911 56.100 0.069 0.000 0.864 42 R CB 1.499 31.825 30.300 0.043 0.000 1.085 42 R HN 0.504 nan 8.270 nan 0.000 0.453 43 V N 4.444 124.419 119.914 0.103 0.000 2.628 43 V HA 0.375 4.495 4.120 0.000 0.000 0.306 43 V C -0.699 175.482 176.094 0.144 0.000 1.045 43 V CA -0.857 61.509 62.300 0.111 0.000 0.905 43 V CB 1.713 33.567 31.823 0.051 0.000 0.997 43 V HN 0.521 nan 8.190 nan 0.000 0.436 44 F N 3.607 123.557 119.950 -0.001 0.000 2.404 44 F HA 0.798 5.325 4.527 0.000 0.000 0.339 44 F C 0.672 176.462 175.800 -0.016 0.000 1.105 44 F CA 0.710 58.705 58.000 -0.007 0.000 1.087 44 F CB 0.944 39.942 39.000 -0.003 0.000 1.143 44 F HN 0.933 nan 8.300 nan 0.000 0.491 45 G N 4.511 112.903 108.800 -0.680 0.000 2.499 45 G HA2 -0.164 3.796 3.960 0.000 0.000 0.232 45 G HA3 -0.164 3.796 3.960 0.000 0.000 0.232 45 G C -0.078 174.660 174.900 -0.271 0.000 1.251 45 G CA -0.413 44.322 45.100 -0.609 0.000 0.917 45 G HN 1.551 nan 8.290 nan 0.000 0.580 46 L N -0.408 120.684 121.223 -0.219 0.000 3.601 46 L HA -0.226 4.114 4.340 0.000 0.000 0.469 46 L C 1.640 178.437 176.870 -0.121 0.000 1.294 46 L CA 0.503 55.256 54.840 -0.146 0.000 0.829 46 L CB -1.802 40.183 42.059 -0.124 0.000 1.628 46 L HN 0.696 nan 8.230 nan 0.000 0.868 47 N N 0.558 119.179 118.700 -0.132 0.000 2.043 47 N HA -0.143 4.597 4.740 0.000 0.000 0.193 47 N C 1.256 176.726 175.510 -0.066 0.000 1.037 47 N CA 2.052 55.044 53.050 -0.097 0.000 0.851 47 N CB -0.243 38.186 38.487 -0.097 0.000 1.027 47 N HN 0.568 nan 8.380 nan 0.000 0.422 48 N N 0.910 119.572 118.700 -0.064 0.000 2.585 48 N HA 0.003 4.743 4.740 0.000 0.000 0.188 48 N C 0.528 176.014 175.510 -0.041 0.000 1.102 48 N CA 0.030 53.052 53.050 -0.046 0.000 0.920 48 N CB -0.128 38.332 38.487 -0.045 0.000 0.963 48 N HN 0.369 nan 8.380 nan 0.000 0.447 49 I N 1.260 121.801 120.570 -0.048 0.000 2.752 49 I HA -0.114 4.056 4.170 0.000 0.000 0.287 49 I C 0.225 176.327 176.117 -0.026 0.000 1.188 49 I CA -0.049 61.226 61.300 -0.041 0.000 1.427 49 I CB 0.530 38.498 38.000 -0.053 0.000 1.365 49 I HN 0.141 nan 8.210 nan 0.000 0.585 50 Q N 5.505 125.295 119.800 -0.017 0.000 2.306 50 Q HA 0.486 4.826 4.340 0.000 0.000 0.241 50 Q C -0.111 175.889 176.000 -0.000 0.000 0.948 50 Q CA -0.832 54.968 55.803 -0.005 0.000 0.886 50 Q CB 1.087 29.825 28.738 0.001 0.000 1.227 50 Q HN 0.772 nan 8.270 nan 0.000 0.457 51 A N 1.932 124.756 122.820 0.007 0.000 2.488 51 A HA 0.058 4.378 4.320 0.000 0.000 0.249 51 A C 0.189 177.787 177.584 0.023 0.000 1.083 51 A CA 0.194 52.239 52.037 0.015 0.000 0.768 51 A CB -0.141 18.872 19.000 0.021 0.000 1.017 51 A HN 0.975 nan 8.150 nan 0.000 0.496 52 E N -0.580 119.636 120.200 0.027 0.000 3.763 52 E HA -0.193 4.157 4.350 0.000 0.000 0.319 52 E C 0.194 176.823 176.600 0.048 0.000 0.804 52 E CA 1.179 57.606 56.400 0.045 0.000 1.196 52 E CB -1.336 28.396 29.700 0.052 0.000 1.607 52 E HN 0.931 nan 8.360 nan 0.000 0.431 53 E N 0.767 120.983 120.200 0.027 0.000 2.383 53 E HA 0.206 4.556 4.350 0.000 0.000 0.264 53 E C -0.219 176.400 176.600 0.032 0.000 1.050 53 E CA -0.466 55.950 56.400 0.025 0.000 0.896 53 E CB 0.575 30.276 29.700 0.002 0.000 0.982 53 E HN 0.004 nan 8.360 nan 0.000 0.424 54 L N 4.140 125.397 121.223 0.057 0.000 2.456 54 L HA 0.119 4.459 4.340 0.000 0.000 0.272 54 L C -0.376 176.497 176.870 0.005 0.000 1.189 54 L CA 0.307 55.191 54.840 0.074 0.000 0.846 54 L CB 1.167 43.300 42.059 0.124 0.000 1.111 54 L HN 0.385 nan 8.230 nan 0.000 0.475 55 V N 0.051 119.949 119.914 -0.027 0.000 3.141 55 V HA 0.697 4.817 4.120 0.000 0.000 0.312 55 V C -0.699 175.340 176.094 -0.091 0.000 1.157 55 V CA -0.919 61.311 62.300 -0.117 0.000 1.041 55 V CB 1.960 33.625 31.823 -0.263 0.000 1.071 55 V HN 0.733 nan 8.190 nan 0.000 0.441 56 E N 0.418 120.519 120.200 -0.166 0.000 2.248 56 E HA 0.596 4.946 4.350 0.000 0.000 0.267 56 E C -1.928 174.562 176.600 -0.183 0.000 0.877 56 E CA -0.583 55.783 56.400 -0.056 0.000 0.759 56 E CB 2.253 31.956 29.700 0.004 0.000 1.182 56 E HN 0.620 nan 8.360 nan 0.000 0.418 57 F N 0.735 120.689 119.950 0.007 0.000 2.403 57 F HA 0.174 4.701 4.527 0.000 0.000 0.326 57 F C 1.786 177.592 175.800 0.010 0.000 1.081 57 F CA -0.281 57.721 58.000 0.004 0.000 1.041 57 F CB 1.481 40.481 39.000 0.000 0.000 1.234 57 F HN 0.457 nan 8.300 nan 0.000 0.503 58 S N 0.137 115.950 115.700 0.189 0.000 2.365 58 S HA -0.229 4.242 4.470 0.000 0.000 0.225 58 S C 2.101 176.764 174.600 0.106 0.000 1.039 58 S CA 1.827 60.092 58.200 0.109 0.000 1.033 58 S CB -0.627 62.628 63.200 0.090 0.000 0.887 58 S HN 0.735 nan 8.310 nan 0.000 0.447 59 S N 0.550 116.324 115.700 0.124 0.000 2.469 59 S HA 0.182 4.652 4.470 0.000 0.000 0.238 59 S C 1.711 176.360 174.600 0.082 0.000 0.998 59 S CA 1.065 59.314 58.200 0.081 0.000 0.957 59 S CB -0.427 62.804 63.200 0.051 0.000 0.764 59 S HN 0.855 nan 8.310 nan 0.000 0.514 60 G N 0.057 108.929 108.800 0.120 0.000 2.481 60 G HA2 -0.219 3.741 3.960 0.000 0.000 0.200 60 G HA3 -0.219 3.741 3.960 0.000 0.000 0.200 60 G C 0.139 175.123 174.900 0.139 0.000 1.012 60 G CA -0.231 44.933 45.100 0.108 0.000 0.676 60 G HN 0.844 nan 8.290 nan 0.000 0.488 61 V N 2.801 122.798 119.914 0.140 0.000 2.617 61 V HA 0.380 4.500 4.120 0.000 0.000 0.304 61 V C 0.770 177.033 176.094 0.282 0.000 1.040 61 V CA 0.661 63.051 62.300 0.149 0.000 1.149 61 V CB 0.712 32.548 31.823 0.022 0.000 0.914 61 V HN 0.376 nan 8.190 nan 0.000 0.487 62 K N 4.431 124.996 120.400 0.276 0.000 2.098 62 K HA 0.736 5.056 4.320 0.000 0.000 0.257 62 K C 0.165 176.896 176.600 0.219 0.000 0.999 62 K CA 0.172 56.649 56.287 0.316 0.000 0.924 62 K CB 1.617 34.339 32.500 0.369 0.000 1.028 62 K HN 0.948 nan 8.250 nan 0.000 0.466 63 G N 0.535 109.349 108.800 0.023 0.000 2.663 63 G HA2 0.556 4.516 3.960 0.000 0.000 0.299 63 G HA3 0.556 4.516 3.960 0.000 0.000 0.299 63 G C -1.528 173.096 174.900 -0.459 0.000 1.372 63 G CA -0.897 43.923 45.100 -0.467 0.000 0.781 63 G HN 0.585 nan 8.290 nan 0.000 0.491 64 M N -0.479 118.831 119.600 -0.485 0.000 2.518 64 M HA 0.815 5.295 4.480 0.000 0.000 0.300 64 M C -0.527 175.721 176.300 -0.085 0.000 1.175 64 M CA -1.052 54.146 55.300 -0.170 0.000 0.890 64 M CB 2.591 35.179 32.600 -0.019 0.000 1.710 64 M HN 0.872 nan 8.290 nan 0.000 0.453 65 A N 3.914 126.712 122.820 -0.037 0.000 2.539 65 A HA 0.434 4.754 4.320 0.000 0.000 0.306 65 A C 0.536 178.114 177.584 -0.010 0.000 1.392 65 A CA -0.588 51.433 52.037 -0.026 0.000 1.060 65 A CB -0.462 18.522 19.000 -0.027 0.000 1.134 65 A HN 1.039 nan 8.150 nan 0.000 0.542 66 L N 1.276 122.488 121.223 -0.020 0.000 2.127 66 L HA 0.025 4.365 4.340 0.000 0.000 0.203 66 L C 0.409 177.274 176.870 -0.008 0.000 1.080 66 L CA 0.641 55.472 54.840 -0.015 0.000 0.768 66 L CB -0.020 42.010 42.059 -0.048 0.000 0.924 66 L HN 0.612 nan 8.230 nan 0.000 0.444 67 N N 0.371 119.063 118.700 -0.014 0.000 2.437 67 N HA 0.364 5.104 4.740 0.000 0.000 0.259 67 N C -1.138 174.372 175.510 -0.000 0.000 0.983 67 N CA -0.039 53.007 53.050 -0.006 0.000 0.937 67 N CB 1.048 39.528 38.487 -0.012 0.000 1.122 67 N HN 0.010 nan 8.380 nan 0.000 0.499 68 L N 2.305 123.530 121.223 0.003 0.000 2.276 68 L HA 0.459 4.799 4.340 0.000 0.000 0.286 68 L C 0.147 177.022 176.870 0.009 0.000 1.024 68 L CA -0.371 54.471 54.840 0.004 0.000 0.826 68 L CB 0.911 42.971 42.059 0.001 0.000 1.211 68 L HN 0.419 nan 8.230 nan 0.000 0.422 69 E N 3.631 123.839 120.200 0.014 0.000 2.378 69 E HA 0.468 4.818 4.350 0.000 0.000 0.265 69 E C -2.477 174.140 176.600 0.028 0.000 0.932 69 E CA -2.116 54.295 56.400 0.019 0.000 0.795 69 E CB 1.827 31.539 29.700 0.020 0.000 1.296 69 E HN 0.309 nan 8.360 nan 0.000 0.438 70 P HA 0.057 nan 4.420 nan 0.000 0.266 70 P C 0.455 177.794 177.300 0.065 0.000 1.215 70 P CA 0.784 63.907 63.100 0.039 0.000 0.763 70 P CB 0.323 32.041 31.700 0.029 0.000 0.806 71 G N 2.414 111.275 108.800 0.101 0.000 2.212 71 G HA2 -0.237 3.723 3.960 0.000 0.000 0.266 71 G HA3 -0.237 3.723 3.960 0.000 0.000 0.266 71 G C -0.099 174.956 174.900 0.259 0.000 0.978 71 G CA 0.576 45.794 45.100 0.197 0.000 0.632 71 G HN 0.766 nan 8.290 nan 0.000 0.537 72 Q N -1.529 118.357 119.800 0.144 0.000 2.472 72 Q HA 0.697 5.037 4.340 0.000 0.000 0.281 72 Q C -1.292 174.745 176.000 0.061 0.000 0.997 72 Q CA -1.192 54.690 55.803 0.132 0.000 0.828 72 Q CB 2.179 30.989 28.738 0.121 0.000 1.443 72 Q HN 0.447 nan 8.270 nan 0.000 0.390 73 V N 1.038 120.980 119.914 0.047 0.000 2.435 73 V HA 0.732 4.852 4.120 0.000 0.000 0.290 73 V C 0.283 176.393 176.094 0.026 0.000 1.030 73 V CA -0.227 62.084 62.300 0.018 0.000 0.881 73 V CB 1.605 33.422 31.823 -0.009 0.000 0.983 73 V HN 0.857 nan 8.190 nan 0.000 0.445 74 G N 5.031 113.839 108.800 0.013 0.000 2.356 74 G HA2 0.658 4.618 3.960 0.000 0.000 0.312 74 G HA3 0.658 4.618 3.960 0.000 0.000 0.312 74 G C -0.740 174.161 174.900 0.002 0.000 1.096 74 G CA -0.292 44.814 45.100 0.009 0.000 0.950 74 G HN 0.614 nan 8.290 nan 0.000 0.428 75 I N 2.894 123.479 120.570 0.025 0.000 2.389 75 I HA 0.229 4.399 4.170 0.000 0.000 0.288 75 I C 0.262 176.374 176.117 -0.008 0.000 0.999 75 I CA -1.104 60.211 61.300 0.025 0.000 1.129 75 I CB 2.225 40.297 38.000 0.119 0.000 1.288 75 I HN 0.358 nan 8.210 nan 0.000 0.444 76 V N 5.977 125.845 119.914 -0.077 0.000 2.461 76 V HA 0.475 4.595 4.120 0.000 0.000 0.275 76 V C 0.010 175.973 176.094 -0.219 0.000 1.047 76 V CA -0.627 61.603 62.300 -0.116 0.000 0.955 76 V CB 0.821 32.583 31.823 -0.102 0.000 0.988 76 V HN 0.487 nan 8.190 nan 0.000 0.471 77 L N 4.135 125.257 121.223 -0.168 0.000 2.375 77 L HA 0.423 4.763 4.340 0.000 0.000 0.271 77 L C 0.654 177.464 176.870 -0.101 0.000 1.107 77 L CA -0.397 54.324 54.840 -0.197 0.000 0.806 77 L CB 0.811 42.766 42.059 -0.174 0.000 1.146 77 L HN 0.582 nan 8.230 nan 0.000 0.447 78 F N 0.380 120.362 119.950 0.053 0.000 2.776 78 F HA 0.260 4.787 4.527 0.000 0.000 0.300 78 F C 1.246 177.065 175.800 0.033 0.000 1.116 78 F CA -0.470 57.565 58.000 0.058 0.000 1.375 78 F CB 0.001 39.047 39.000 0.077 0.000 1.109 78 F HN 0.481 nan 8.300 nan 0.000 0.585 79 G N -1.232 107.658 108.800 0.150 0.000 3.022 79 G HA2 0.370 4.330 3.960 0.000 0.000 0.284 79 G HA3 0.370 4.330 3.960 0.000 0.000 0.284 79 G C -0.913 173.995 174.900 0.013 0.000 1.375 79 G CA -0.673 44.475 45.100 0.079 0.000 0.902 79 G HN -0.090 nan 8.290 nan 0.000 0.538 80 S N -0.595 115.105 115.700 0.002 0.000 2.549 80 S HA 0.117 4.587 4.470 0.000 0.000 0.286 80 S C 1.219 175.781 174.600 -0.064 0.000 1.314 80 S CA 0.479 58.666 58.200 -0.021 0.000 1.062 80 S CB 0.618 63.811 63.200 -0.011 0.000 0.865 80 S HN 0.558 nan 8.310 nan 0.000 0.498 81 D N 4.147 124.501 120.400 -0.077 0.000 2.347 81 D HA -0.094 4.546 4.640 0.000 0.000 0.215 81 D C 1.709 177.952 176.300 -0.095 0.000 0.976 81 D CA 0.345 54.273 54.000 -0.119 0.000 0.884 81 D CB -0.361 40.370 40.800 -0.115 0.000 0.915 81 D HN 0.684 nan 8.370 nan 0.000 0.526 82 R N 0.781 121.246 120.500 -0.059 0.000 2.153 82 R HA -0.195 4.145 4.340 0.000 0.000 0.252 82 R C 1.899 178.172 176.300 -0.046 0.000 1.158 82 R CA 1.441 57.516 56.100 -0.042 0.000 0.975 82 R CB -0.385 29.900 30.300 -0.026 0.000 0.871 82 R HN 0.287 nan 8.270 nan 0.000 0.450 83 L N 0.246 121.434 121.223 -0.059 0.000 1.994 83 L HA -0.040 4.300 4.340 0.000 0.000 0.208 83 L C 1.045 177.875 176.870 -0.067 0.000 1.071 83 L CA 0.555 55.364 54.840 -0.052 0.000 0.745 83 L CB -0.469 41.559 42.059 -0.052 0.000 0.892 83 L HN -0.056 nan 8.230 nan 0.000 0.431 84 V N 1.134 120.966 119.914 -0.137 0.000 2.572 84 V HA 0.083 4.203 4.120 0.000 0.000 0.291 84 V C 0.156 176.209 176.094 -0.067 0.000 1.039 84 V CA 0.101 62.313 62.300 -0.147 0.000 1.055 84 V CB 0.742 32.351 31.823 -0.356 0.000 0.969 84 V HN 0.254 nan 8.190 nan 0.000 0.482 85 K N 2.671 123.063 120.400 -0.012 0.000 2.400 85 K HA 0.454 4.774 4.320 0.000 0.000 0.246 85 K C -0.359 176.258 176.600 0.029 0.000 0.995 85 K CA -0.929 55.360 56.287 0.003 0.000 0.840 85 K CB 2.201 34.707 32.500 0.009 0.000 1.293 85 K HN 0.729 nan 8.250 nan 0.000 0.445 86 E N 0.106 120.320 120.200 0.023 0.000 2.442 86 E HA -0.021 4.329 4.350 0.000 0.000 0.262 86 E C 0.539 177.165 176.600 0.044 0.000 1.004 86 E CA 1.321 57.741 56.400 0.034 0.000 0.928 86 E CB 0.232 29.944 29.700 0.019 0.000 0.937 86 E HN 0.760 nan 8.360 nan 0.000 0.446 87 G N 3.359 112.193 108.800 0.058 0.000 2.205 87 G HA2 -0.328 3.632 3.960 0.000 0.000 0.261 87 G HA3 -0.328 3.632 3.960 0.000 0.000 0.261 87 G C 0.244 175.184 174.900 0.066 0.000 0.980 87 G CA 0.475 45.609 45.100 0.057 0.000 0.632 87 G HN 0.628 nan 8.290 nan 0.000 0.533 88 E N -0.206 120.043 120.200 0.082 0.000 2.390 88 E HA 0.487 4.837 4.350 0.000 0.000 0.261 88 E C 0.165 176.823 176.600 0.097 0.000 1.076 88 E CA -0.786 55.671 56.400 0.095 0.000 0.905 88 E CB 0.556 30.332 29.700 0.127 0.000 0.984 88 E HN 0.189 nan 8.360 nan 0.000 0.427 89 L N 3.441 124.705 121.223 0.068 0.000 2.395 89 L HA 0.267 4.607 4.340 0.000 0.000 0.269 89 L C -1.062 175.788 176.870 -0.032 0.000 1.133 89 L CA -0.153 54.698 54.840 0.019 0.000 0.812 89 L CB 1.520 43.584 42.059 0.009 0.000 1.125 89 L HN 0.245 nan 8.230 nan 0.000 0.452 90 V N 3.932 123.775 119.914 -0.119 0.000 2.577 90 V HA 0.454 4.574 4.120 0.000 0.000 0.303 90 V C -0.415 175.555 176.094 -0.206 0.000 1.042 90 V CA -1.068 61.064 62.300 -0.280 0.000 0.872 90 V CB 1.656 33.200 31.823 -0.464 0.000 0.998 90 V HN 0.650 nan 8.190 nan 0.000 0.423 91 K N 3.532 123.819 120.400 -0.189 0.000 2.110 91 K HA 0.624 4.944 4.320 0.000 0.000 0.263 91 K C -0.119 176.400 176.600 -0.136 0.000 0.975 91 K CA -0.802 55.408 56.287 -0.127 0.000 0.895 91 K CB 1.910 34.362 32.500 -0.079 0.000 1.060 91 K HN 0.546 nan 8.250 nan 0.000 0.448 92 R N 0.169 120.608 120.500 -0.101 0.000 2.707 92 R HA 0.038 4.378 4.340 0.000 0.000 0.270 92 R C 1.158 177.427 176.300 -0.052 0.000 1.083 92 R CA 0.230 56.282 56.100 -0.079 0.000 1.182 92 R CB 0.425 30.687 30.300 -0.063 0.000 1.084 92 R HN 0.797 nan 8.270 nan 0.000 0.528 93 T N -3.036 111.499 114.554 -0.032 0.000 2.975 93 T HA 0.172 4.522 4.350 0.000 0.000 0.257 93 T C 1.322 176.019 174.700 -0.006 0.000 1.003 93 T CA 0.244 62.338 62.100 -0.010 0.000 0.932 93 T CB 0.657 69.531 68.868 0.010 0.000 1.087 93 T HN 0.812 nan 8.240 nan 0.000 0.512 94 G N 2.133 110.926 108.800 -0.011 0.000 2.175 94 G HA2 -0.249 3.711 3.960 0.000 0.000 0.265 94 G HA3 -0.249 3.711 3.960 0.000 0.000 0.265 94 G C -0.201 174.702 174.900 0.005 0.000 0.979 94 G CA 0.107 45.203 45.100 -0.006 0.000 0.663 94 G HN 0.624 nan 8.290 nan 0.000 0.533 95 N N 0.564 119.272 118.700 0.013 0.000 2.392 95 N HA 0.520 5.260 4.740 0.000 0.000 0.283 95 N C 0.531 176.062 175.510 0.036 0.000 1.003 95 N CA -0.636 52.429 53.050 0.024 0.000 0.892 95 N CB 1.201 39.706 38.487 0.030 0.000 1.193 95 N HN 0.073 nan 8.380 nan 0.000 0.487 96 I N 1.216 121.806 120.570 0.034 0.000 2.779 96 I HA 0.060 4.230 4.170 0.000 0.000 0.285 96 I C 0.775 176.925 176.117 0.054 0.000 1.134 96 I CA -0.510 60.816 61.300 0.044 0.000 1.398 96 I CB 0.168 38.187 38.000 0.031 0.000 1.404 96 I HN 0.146 nan 8.210 nan 0.000 0.587 97 V N 4.816 124.774 119.914 0.074 0.000 2.493 97 V HA 0.014 4.134 4.120 0.000 0.000 0.292 97 V C 0.140 176.259 176.094 0.042 0.000 1.016 97 V CA -0.295 62.052 62.300 0.077 0.000 1.097 97 V CB -0.484 31.402 31.823 0.105 0.000 0.947 97 V HN 0.847 nan 8.190 nan 0.000 0.479 98 D N 3.884 124.303 120.400 0.033 0.000 2.621 98 D HA 0.751 5.391 4.640 0.000 0.000 0.255 98 D C -0.591 175.715 176.300 0.010 0.000 1.122 98 D CA -0.934 53.079 54.000 0.021 0.000 1.096 98 D CB 2.122 42.933 40.800 0.019 0.000 1.282 98 D HN 0.454 nan 8.370 nan 0.000 0.619 99 V N -0.575 119.342 119.914 0.006 0.000 2.817 99 V HA 0.420 4.540 4.120 0.000 0.000 0.303 99 V C -2.872 173.213 176.094 -0.015 0.000 1.151 99 V CA -1.933 60.364 62.300 -0.005 0.000 0.929 99 V CB 2.400 34.223 31.823 -0.000 0.000 1.030 99 V HN 0.559 nan 8.190 nan 0.000 0.427 100 P HA 0.165 nan 4.420 nan 0.000 0.262 100 P C -0.556 176.695 177.300 -0.081 0.000 1.182 100 P CA 0.578 63.646 63.100 -0.054 0.000 0.761 100 P CB 0.870 32.535 31.700 -0.058 0.000 0.795 101 V N -0.042 119.798 119.914 -0.123 0.000 3.074 101 V HA 1.014 5.134 4.120 0.000 0.000 0.314 101 V C 0.167 175.975 176.094 -0.476 0.000 1.117 101 V CA -0.175 62.005 62.300 -0.200 0.000 1.014 101 V CB 1.392 33.172 31.823 -0.073 0.000 1.057 101 V HN 0.983 nan 8.190 nan 0.000 0.438 102 G N 1.681 109.989 108.800 -0.819 0.000 2.343 102 G HA2 0.128 4.088 3.960 0.000 0.000 0.562 102 G HA3 0.128 4.088 3.960 0.000 0.000 0.562 102 G C -2.602 171.539 174.900 -1.266 0.000 1.269 102 G CA 0.007 44.099 45.100 -1.680 0.000 1.011 102 G HN 0.741 nan 8.290 nan 0.000 0.498 103 P HA 0.096 nan 4.420 nan 0.000 0.231 103 P C 1.651 178.759 177.300 -0.319 0.000 1.168 103 P CA 1.648 64.356 63.100 -0.653 0.000 0.779 103 P CB -0.047 31.337 31.700 -0.527 0.000 0.844 104 G N -0.175 108.424 108.800 -0.335 0.000 2.848 104 G HA2 -0.061 3.899 3.960 0.000 0.000 0.208 104 G HA3 -0.061 3.899 3.960 0.000 0.000 0.208 104 G C 1.195 176.013 174.900 -0.137 0.000 1.152 104 G CA 0.078 45.066 45.100 -0.188 0.000 0.789 104 G HN 0.190 nan 8.290 nan 0.000 0.531 105 L N 0.038 121.171 121.223 -0.150 0.000 2.446 105 L HA 0.345 4.685 4.340 0.000 0.000 0.219 105 L C 1.290 178.151 176.870 -0.014 0.000 1.116 105 L CA 0.052 54.847 54.840 -0.075 0.000 0.844 105 L CB -0.058 41.956 42.059 -0.075 0.000 0.970 105 L HN 0.084 nan 8.230 nan 0.000 0.457 106 L N 0.289 121.514 121.223 0.004 0.000 2.514 106 L HA 0.127 4.467 4.340 0.000 0.000 0.280 106 L C 1.380 178.265 176.870 0.026 0.000 1.223 106 L CA 0.742 55.611 54.840 0.048 0.000 0.864 106 L CB -0.216 41.888 42.059 0.075 0.000 1.118 106 L HN 0.414 nan 8.230 nan 0.000 0.494 107 G N 1.862 110.675 108.800 0.022 0.000 2.176 107 G HA2 -0.223 3.737 3.960 0.000 0.000 0.252 107 G HA3 -0.223 3.737 3.960 0.000 0.000 0.252 107 G C 0.055 174.950 174.900 -0.009 0.000 1.024 107 G CA -0.269 44.828 45.100 -0.006 0.000 0.755 107 G HN 0.471 nan 8.290 nan 0.000 0.507 108 R N -1.158 119.341 120.500 -0.001 0.000 2.795 108 R HA 0.691 5.031 4.340 0.000 0.000 0.275 108 R C -0.392 175.912 176.300 0.007 0.000 0.981 108 R CA -0.796 55.303 56.100 -0.002 0.000 0.917 108 R CB 1.970 32.266 30.300 -0.008 0.000 1.202 108 R HN 0.255 nan 8.270 nan 0.000 0.469 109 V N 2.047 121.964 119.914 0.005 0.000 2.398 109 V HA 0.577 4.697 4.120 0.000 0.000 0.286 109 V C 0.124 176.225 176.094 0.012 0.000 1.026 109 V CA -0.823 61.487 62.300 0.016 0.000 0.868 109 V CB 1.554 33.386 31.823 0.015 0.000 0.982 109 V HN 0.589 nan 8.190 nan 0.000 0.443 110 V N 0.883 120.807 119.914 0.017 0.000 3.007 110 V HA 0.797 4.917 4.120 0.000 0.000 0.311 110 V C -0.558 175.541 176.094 0.008 0.000 1.120 110 V CA -0.945 61.359 62.300 0.007 0.000 0.980 110 V CB 1.978 33.801 31.823 -0.000 0.000 1.033 110 V HN 0.855 nan 8.190 nan 0.000 0.429 111 D N 2.771 123.169 120.400 -0.004 0.000 2.433 111 D HA 0.528 5.168 4.640 0.000 0.000 0.255 111 D C 1.257 177.541 176.300 -0.026 0.000 1.226 111 D CA 0.099 54.093 54.000 -0.011 0.000 1.015 111 D CB 1.189 41.978 40.800 -0.017 0.000 1.091 111 D HN 0.876 nan 8.370 nan 0.000 0.527 112 A N -0.560 122.235 122.820 -0.042 0.000 2.186 112 A HA -0.039 4.281 4.320 0.000 0.000 0.219 112 A C 1.872 179.405 177.584 -0.085 0.000 1.159 112 A CA 0.920 52.923 52.037 -0.055 0.000 0.680 112 A CB -0.819 18.143 19.000 -0.064 0.000 0.787 112 A HN 0.549 nan 8.150 nan 0.000 0.467 113 L N -2.384 118.779 121.223 -0.100 0.000 2.766 113 L HA 0.321 4.661 4.340 0.000 0.000 0.242 113 L C 1.534 178.371 176.870 -0.054 0.000 1.136 113 L CA 0.461 55.241 54.840 -0.099 0.000 0.933 113 L CB 0.262 42.233 42.059 -0.147 0.000 1.241 113 L HN 0.483 nan 8.230 nan 0.000 0.522 114 G N -0.075 108.701 108.800 -0.040 0.000 2.175 114 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 114 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 114 G C 0.096 174.980 174.900 -0.027 0.000 0.982 114 G CA -0.352 44.731 45.100 -0.028 0.000 0.641 114 G HN 0.322 nan 8.290 nan 0.000 0.527 115 N N 2.284 120.968 118.700 -0.027 0.000 2.492 115 N HA 0.350 5.090 4.740 0.000 0.000 0.262 115 N C -2.274 173.228 175.510 -0.013 0.000 1.202 115 N CA -0.591 52.448 53.050 -0.019 0.000 0.926 115 N CB 1.118 39.595 38.487 -0.017 0.000 1.078 115 N HN 0.266 nan 8.380 nan 0.000 0.454 116 P HA 0.200 nan 4.420 nan 0.000 0.280 116 P C 0.342 177.640 177.300 -0.003 0.000 1.244 116 P CA -0.195 62.900 63.100 -0.008 0.000 0.784 116 P CB 0.656 32.349 31.700 -0.011 0.000 0.913 117 I N -0.702 119.869 120.570 0.001 0.000 4.147 117 I HA 0.226 4.396 4.170 0.000 0.000 0.329 117 I C 0.490 176.610 176.117 0.005 0.000 1.424 117 I CA -0.187 61.115 61.300 0.004 0.000 1.127 117 I CB 0.041 38.046 38.000 0.009 0.000 1.128 117 I HN 0.050 nan 8.210 nan 0.000 0.417 118 D N 1.352 121.753 120.400 0.002 0.000 2.350 118 D HA 0.105 4.745 4.640 0.000 0.000 0.213 118 D C 1.627 177.925 176.300 -0.002 0.000 1.031 118 D CA 0.560 54.559 54.000 -0.001 0.000 0.861 118 D CB -0.099 40.700 40.800 -0.003 0.000 0.926 118 D HN 0.377 nan 8.370 nan 0.000 0.520 119 G N 1.184 109.982 108.800 -0.002 0.000 2.305 119 G HA2 -0.361 3.599 3.960 0.000 0.000 0.287 119 G HA3 -0.361 3.599 3.960 0.000 0.000 0.287 119 G C 0.720 175.617 174.900 -0.005 0.000 1.036 119 G CA 0.501 45.600 45.100 -0.003 0.000 0.887 119 G HN 0.445 nan 8.290 nan 0.000 0.505 120 K N -0.176 120.219 120.400 -0.007 0.000 2.404 120 K HA 0.414 4.734 4.320 0.000 0.000 0.194 120 K C 1.408 178.003 176.600 -0.009 0.000 1.023 120 K CA 0.518 56.800 56.287 -0.008 0.000 1.094 120 K CB 0.405 32.899 32.500 -0.010 0.000 0.841 120 K HN 1.422 nan 8.250 nan 0.000 0.523 121 G N 1.990 110.785 108.800 -0.009 0.000 2.408 121 G HA2 -0.124 3.836 3.960 0.000 0.000 0.682 121 G HA3 -0.124 3.836 3.960 0.000 0.000 0.682 121 G C -3.073 171.819 174.900 -0.013 0.000 1.303 121 G CA -1.266 43.828 45.100 -0.010 0.000 0.966 121 G HN -0.110 nan 8.290 nan 0.000 0.560 122 P HA 0.575 nan 4.420 nan 0.000 0.276 122 P C -0.025 177.259 177.300 -0.027 0.000 1.261 122 P CA -0.717 62.371 63.100 -0.019 0.000 0.800 122 P CB 0.521 32.210 31.700 -0.018 0.000 1.066 123 I N 1.382 121.932 120.570 -0.033 0.000 2.312 123 I HA 0.091 4.261 4.170 0.000 0.000 0.291 123 I C 0.366 176.447 176.117 -0.060 0.000 1.031 123 I CA -0.385 60.886 61.300 -0.048 0.000 1.293 123 I CB 0.159 38.129 38.000 -0.050 0.000 1.403 123 I HN 0.372 nan 8.210 nan 0.000 0.484 124 D N 6.430 126.788 120.400 -0.070 0.000 2.367 124 D HA 0.325 4.965 4.640 0.000 0.000 0.255 124 D C 0.147 176.376 176.300 -0.119 0.000 1.300 124 D CA -0.014 53.938 54.000 -0.080 0.000 0.959 124 D CB 0.554 41.310 40.800 -0.074 0.000 1.064 124 D HN 0.625 nan 8.370 nan 0.000 0.509 125 A N 2.993 125.748 122.820 -0.108 0.000 2.286 125 A HA 0.648 4.968 4.320 0.000 0.000 0.286 125 A C 0.643 178.144 177.584 -0.138 0.000 1.097 125 A CA -0.147 51.808 52.037 -0.137 0.000 0.821 125 A CB 1.240 20.182 19.000 -0.096 0.000 1.076 125 A HN 0.674 nan 8.150 nan 0.000 0.490 126 A N 0.297 123.011 122.820 -0.178 0.000 2.564 126 A HA 0.613 4.933 4.320 0.000 0.000 0.279 126 A C 0.814 178.385 177.584 -0.022 0.000 1.232 126 A CA 0.767 52.739 52.037 -0.107 0.000 0.950 126 A CB -0.661 18.242 19.000 -0.163 0.000 1.138 126 A HN 2.610 nan 8.150 nan 0.000 0.526 127 G N -0.489 108.289 108.800 -0.036 0.000 2.359 127 G HA2 0.302 4.262 3.960 0.000 0.000 0.303 127 G HA3 0.302 4.262 3.960 0.000 0.000 0.303 127 G C -1.322 173.571 174.900 -0.011 0.000 1.293 127 G CA -1.133 43.967 45.100 -0.000 0.000 0.964 127 G HN 0.383 nan 8.290 nan 0.000 0.531 128 R N -0.168 120.337 120.500 0.007 0.000 2.538 128 R HA 0.657 4.997 4.340 0.000 0.000 0.292 128 R C -0.757 175.555 176.300 0.021 0.000 1.008 128 R CA -0.669 55.434 56.100 0.005 0.000 0.896 128 R CB 2.127 32.428 30.300 0.001 0.000 1.187 128 R HN 0.540 nan 8.270 nan 0.000 0.440 129 S N 2.139 117.854 115.700 0.025 0.000 2.509 129 S HA 0.422 4.892 4.470 0.000 0.000 0.297 129 S C 0.062 174.680 174.600 0.029 0.000 1.118 129 S CA -0.915 57.306 58.200 0.035 0.000 1.074 129 S CB 1.552 64.782 63.200 0.050 0.000 1.038 129 S HN 0.388 nan 8.310 nan 0.000 0.498 130 R N 0.718 121.235 120.500 0.028 0.000 2.756 130 R HA 0.153 4.493 4.340 0.000 0.000 0.264 130 R C 1.397 177.715 176.300 0.030 0.000 1.026 130 R CA 0.206 56.321 56.100 0.025 0.000 1.121 130 R CB 0.146 30.458 30.300 0.020 0.000 0.999 130 R HN 0.821 nan 8.270 nan 0.000 0.449 131 A N 2.530 125.364 122.820 0.023 0.000 1.872 131 A HA -0.087 4.233 4.320 0.000 0.000 0.214 131 A C 0.469 178.061 177.584 0.013 0.000 1.187 131 A CA 1.037 53.092 52.037 0.029 0.000 0.614 131 A CB 0.099 19.103 19.000 0.007 0.000 0.826 131 A HN 0.550 nan 8.150 nan 0.000 0.442 132 Q N 0.720 120.493 119.800 -0.045 0.000 2.423 132 Q HA 0.407 4.747 4.340 0.000 0.000 0.235 132 Q C -1.300 174.692 176.000 -0.013 0.000 1.100 132 Q CA 0.113 55.868 55.803 -0.081 0.000 0.908 132 Q CB 0.904 29.568 28.738 -0.123 0.000 1.312 132 Q HN 0.183 nan 8.270 nan 0.000 0.497 133 V N 3.593 123.519 119.914 0.020 0.000 2.409 133 V HA 0.197 4.317 4.120 0.000 0.000 0.291 133 V C 0.414 176.529 176.094 0.035 0.000 1.020 133 V CA -0.991 61.328 62.300 0.032 0.000 0.848 133 V CB 1.842 33.694 31.823 0.047 0.000 0.990 133 V HN 0.521 nan 8.190 nan 0.000 0.430 134 K N 3.132 123.551 120.400 0.031 0.000 2.530 134 K HA 0.117 4.437 4.320 0.000 0.000 0.280 134 K C 0.462 177.085 176.600 0.039 0.000 1.004 134 K CA 0.218 56.528 56.287 0.038 0.000 1.071 134 K CB 0.698 33.219 32.500 0.036 0.000 0.876 134 K HN 0.857 nan 8.250 nan 0.000 0.487 135 A N 6.189 129.035 122.820 0.043 0.000 2.388 135 A HA 0.269 4.589 4.320 0.000 0.000 0.257 135 A C -1.951 175.654 177.584 0.036 0.000 1.095 135 A CA -1.263 50.799 52.037 0.041 0.000 0.791 135 A CB -0.249 18.776 19.000 0.041 0.000 1.029 135 A HN 0.436 nan 8.150 nan 0.000 0.489 136 P HA 0.054 nan 4.420 nan 0.000 0.258 136 P C 0.732 178.049 177.300 0.028 0.000 1.172 136 P CA 0.776 63.892 63.100 0.026 0.000 0.762 136 P CB 0.121 31.835 31.700 0.024 0.000 0.764 137 G N 3.031 111.847 108.800 0.027 0.000 2.468 137 G HA2 0.072 4.032 3.960 0.000 0.000 0.264 137 G HA3 0.072 4.032 3.960 0.000 0.000 0.264 137 G C 1.206 176.122 174.900 0.027 0.000 1.460 137 G CA -0.558 44.559 45.100 0.029 0.000 1.060 137 G HN 0.306 nan 8.290 nan 0.000 0.543 138 I N -0.658 119.927 120.570 0.026 0.000 2.099 138 I HA -0.126 4.044 4.170 0.000 0.000 0.239 138 I C 2.896 179.025 176.117 0.019 0.000 1.066 138 I CA 1.232 62.546 61.300 0.023 0.000 1.324 138 I CB -1.047 36.966 38.000 0.022 0.000 1.037 138 I HN 0.233 nan 8.210 nan 0.000 0.401 139 L N 1.025 122.258 121.223 0.017 0.000 2.023 139 L HA -0.054 4.286 4.340 0.000 0.000 0.205 139 L C -0.971 175.907 176.870 0.013 0.000 1.073 139 L CA 1.413 56.261 54.840 0.013 0.000 0.745 139 L CB -1.789 40.277 42.059 0.010 0.000 0.900 139 L HN 0.179 nan 8.230 nan 0.000 0.435 140 P HA 0.017 nan 4.420 nan 0.000 0.237 140 P C -0.562 176.748 177.300 0.016 0.000 1.701 140 P CA 0.561 63.668 63.100 0.011 0.000 0.955 140 P CB -0.155 31.550 31.700 0.009 0.000 1.937 141 R N -0.031 120.480 120.500 0.019 0.000 2.795 141 R HA 0.650 4.990 4.340 0.000 0.000 0.268 141 R C -0.438 175.881 176.300 0.030 0.000 1.041 141 R CA -0.908 55.208 56.100 0.026 0.000 0.927 141 R CB 2.379 32.695 30.300 0.026 0.000 1.235 141 R HN 0.016 nan 8.270 nan 0.000 0.463 142 R N 0.237 120.763 120.500 0.043 0.000 2.643 142 R HA 0.310 4.651 4.340 0.000 0.000 0.269 142 R C -1.119 175.222 176.300 0.068 0.000 1.037 142 R CA -0.480 55.651 56.100 0.052 0.000 0.894 142 R CB 2.395 32.735 30.300 0.067 0.000 1.238 142 R HN 0.694 nan 8.270 nan 0.000 0.459 143 S N 1.132 116.868 115.700 0.059 0.000 2.561 143 S HA -0.014 4.457 4.470 0.000 0.000 0.294 143 S C 0.077 174.750 174.600 0.121 0.000 1.294 143 S CA -0.110 58.130 58.200 0.065 0.000 1.055 143 S CB 0.475 63.700 63.200 0.043 0.000 0.819 143 S HN 0.307 nan 8.310 nan 0.000 0.503 144 V N 5.989 125.943 119.914 0.068 0.000 2.446 144 V HA 0.099 4.219 4.120 0.000 0.000 0.276 144 V C 1.317 177.441 176.094 0.049 0.000 1.030 144 V CA 0.325 62.640 62.300 0.025 0.000 1.033 144 V CB -0.039 31.771 31.823 -0.021 0.000 0.993 144 V HN 1.046 nan 8.190 nan 0.000 0.477 145 H N 2.545 121.583 119.070 -0.054 0.000 3.067 145 H HA 0.281 4.837 4.556 0.000 0.000 0.241 145 H C 0.231 175.508 175.328 -0.085 0.000 0.961 145 H CA -0.422 55.591 56.048 -0.058 0.000 1.123 145 H CB 0.705 30.441 29.762 -0.043 0.000 1.448 145 H HN 0.547 nan 8.280 nan 0.000 0.457 146 E N 3.840 123.680 120.200 -0.599 0.000 2.313 146 E HA 0.296 4.646 4.350 0.000 0.000 0.276 146 E C -2.494 173.919 176.600 -0.312 0.000 1.031 146 E CA -1.981 54.162 56.400 -0.427 0.000 0.857 146 E CB 1.097 30.469 29.700 -0.546 0.000 1.040 146 E HN 0.286 nan 8.360 nan 0.000 0.408 147 P HA 0.018 nan 4.420 nan 0.000 0.272 147 P C -0.860 176.261 177.300 -0.297 0.000 1.223 147 P CA -0.237 62.726 63.100 -0.228 0.000 0.784 147 P CB 0.604 32.189 31.700 -0.192 0.000 0.923 148 V N 3.676 123.449 119.914 -0.235 0.000 2.293 148 V HA 0.162 4.282 4.120 0.000 0.000 0.275 148 V C 0.205 176.188 176.094 -0.184 0.000 1.021 148 V CA -0.223 61.932 62.300 -0.241 0.000 0.815 148 V CB 0.456 32.173 31.823 -0.178 0.000 1.025 148 V HN 0.469 nan 8.190 nan 0.000 0.448 149 Q N 2.362 122.022 119.800 -0.233 0.000 2.348 149 Q HA 0.129 4.469 4.340 0.000 0.000 0.251 149 Q C 1.503 177.509 176.000 0.009 0.000 1.113 149 Q CA 0.162 55.913 55.803 -0.087 0.000 0.902 149 Q CB 1.052 29.771 28.738 -0.031 0.000 1.333 149 Q HN 0.963 nan 8.270 nan 0.000 0.457 150 T N -0.956 113.601 114.554 0.004 0.000 2.812 150 T HA 0.021 4.372 4.350 0.000 0.000 0.264 150 T C 1.452 176.179 174.700 0.046 0.000 1.042 150 T CA 0.828 62.939 62.100 0.018 0.000 1.140 150 T CB -0.052 68.814 68.868 -0.002 0.000 0.870 150 T HN 0.804 nan 8.240 nan 0.000 0.445 151 G N 1.091 109.923 108.800 0.052 0.000 2.213 151 G HA2 -0.165 3.795 3.960 0.000 0.000 0.226 151 G HA3 -0.165 3.795 3.960 0.000 0.000 0.226 151 G C -0.020 174.897 174.900 0.028 0.000 0.992 151 G CA -0.029 45.102 45.100 0.052 0.000 0.632 151 G HN 0.647 nan 8.290 nan 0.000 0.511 152 L N 1.196 122.429 121.223 0.017 0.000 2.315 152 L HA 0.359 4.699 4.340 0.000 0.000 0.283 152 L C 1.823 178.705 176.870 0.019 0.000 1.089 152 L CA -0.516 54.330 54.840 0.010 0.000 0.833 152 L CB 1.016 43.075 42.059 -0.001 0.000 1.170 152 L HN 0.088 nan 8.230 nan 0.000 0.442 153 K N 2.640 123.055 120.400 0.025 0.000 2.059 153 K HA -0.267 4.053 4.320 0.000 0.000 0.212 153 K C 1.999 178.617 176.600 0.030 0.000 1.050 153 K CA 2.024 58.332 56.287 0.035 0.000 0.927 153 K CB -0.135 32.391 32.500 0.043 0.000 0.714 153 K HN 0.826 nan 8.250 nan 0.000 0.447 154 A N 0.514 123.349 122.820 0.025 0.000 1.930 154 A HA -0.083 4.237 4.320 0.000 0.000 0.217 154 A C 2.322 179.919 177.584 0.021 0.000 1.175 154 A CA 1.256 53.308 52.037 0.025 0.000 0.627 154 A CB -0.372 18.643 19.000 0.025 0.000 0.815 154 A HN 0.084 nan 8.150 nan 0.000 0.443 155 V N 0.451 120.375 119.914 0.016 0.000 2.283 155 V HA -0.164 3.956 4.120 0.000 0.000 0.243 155 V C 1.867 177.965 176.094 0.006 0.000 1.039 155 V CA 2.053 64.359 62.300 0.010 0.000 1.016 155 V CB -0.716 31.109 31.823 0.004 0.000 0.650 155 V HN 0.451 nan 8.190 nan 0.000 0.449 156 D N 0.075 120.480 120.400 0.008 0.000 2.350 156 D HA -0.004 4.636 4.640 0.000 0.000 0.216 156 D C 1.766 178.071 176.300 0.008 0.000 0.968 156 D CA 1.302 55.306 54.000 0.005 0.000 0.894 156 D CB 0.222 41.030 40.800 0.014 0.000 0.909 156 D HN 0.483 nan 8.370 nan 0.000 0.520 157 A N -0.685 122.143 122.820 0.014 0.000 2.055 157 A HA 0.203 4.523 4.320 0.000 0.000 0.205 157 A C 1.981 179.570 177.584 0.008 0.000 1.235 157 A CA 0.040 52.086 52.037 0.015 0.000 0.822 157 A CB 0.160 19.175 19.000 0.025 0.000 0.903 157 A HN 0.144 nan 8.150 nan 0.000 0.473 158 L N -1.089 120.140 121.223 0.010 0.000 2.500 158 L HA 0.219 4.559 4.340 0.000 0.000 0.219 158 L C -0.099 176.775 176.870 0.006 0.000 1.057 158 L CA 0.368 55.213 54.840 0.008 0.000 0.854 158 L CB 0.886 42.956 42.059 0.017 0.000 1.078 158 L HN 0.045 nan 8.230 nan 0.000 0.480 159 V N 1.604 121.522 119.914 0.007 0.000 2.405 159 V HA 0.263 4.383 4.120 0.000 0.000 0.253 159 V C -2.440 173.651 176.094 -0.005 0.000 0.963 159 V CA -1.198 61.105 62.300 0.005 0.000 1.003 159 V CB 0.487 32.319 31.823 0.015 0.000 1.251 159 V HN -0.011 nan 8.190 nan 0.000 0.520 160 P HA 0.325 nan 4.420 nan 0.000 0.271 160 P C -0.487 176.793 177.300 -0.033 0.000 1.216 160 P CA 0.159 63.245 63.100 -0.023 0.000 0.771 160 P CB 1.495 33.181 31.700 -0.024 0.000 0.864 161 I N 2.179 122.721 120.570 -0.047 0.000 2.362 161 I HA 0.428 4.598 4.170 0.000 0.000 0.289 161 I C 1.137 177.201 176.117 -0.089 0.000 0.994 161 I CA -0.364 60.900 61.300 -0.059 0.000 1.158 161 I CB 1.710 39.676 38.000 -0.057 0.000 1.315 161 I HN 0.341 nan 8.210 nan 0.000 0.451 162 G N 4.701 113.447 108.800 -0.089 0.000 2.531 162 G HA2 0.522 4.482 3.960 0.000 0.000 0.313 162 G HA3 0.522 4.482 3.960 0.000 0.000 0.313 162 G C -0.459 174.355 174.900 -0.142 0.000 1.238 162 G CA -0.807 44.218 45.100 -0.124 0.000 0.994 162 G HN 0.517 nan 8.290 nan 0.000 0.493 163 R N -0.352 120.030 120.500 -0.197 0.000 2.248 163 R HA 0.447 4.787 4.340 0.000 0.000 0.337 163 R C 1.010 177.242 176.300 -0.113 0.000 1.085 163 R CA 1.273 57.255 56.100 -0.197 0.000 0.934 163 R CB 0.505 30.602 30.300 -0.339 0.000 1.034 163 R HN 1.035 nan 8.270 nan 0.000 0.465 164 G N 2.109 110.871 108.800 -0.064 0.000 2.184 164 G HA2 -0.275 3.685 3.960 0.000 0.000 0.206 164 G HA3 -0.275 3.685 3.960 0.000 0.000 0.206 164 G C 0.028 174.914 174.900 -0.023 0.000 0.995 164 G CA -0.135 44.950 45.100 -0.024 0.000 0.651 164 G HN 0.565 nan 8.290 nan 0.000 0.511 165 Q N 0.143 119.920 119.800 -0.040 0.000 2.354 165 Q HA 0.652 4.992 4.340 0.000 0.000 0.244 165 Q C -0.095 175.888 176.000 -0.028 0.000 0.969 165 Q CA -0.425 55.359 55.803 -0.032 0.000 0.885 165 Q CB 0.418 29.131 28.738 -0.041 0.000 1.241 165 Q HN 0.292 nan 8.270 nan 0.000 0.461 166 R N 2.436 122.923 120.500 -0.021 0.000 2.288 166 R HA 0.281 4.621 4.340 0.000 0.000 0.326 166 R C -1.363 174.921 176.300 -0.027 0.000 0.959 166 R CA -0.524 55.563 56.100 -0.022 0.000 0.834 166 R CB 1.398 31.686 30.300 -0.019 0.000 1.157 166 R HN 0.505 nan 8.270 nan 0.000 0.470 167 E N 2.892 123.073 120.200 -0.032 0.000 2.129 167 E HA 0.266 4.616 4.350 0.000 0.000 0.268 167 E C -1.312 175.268 176.600 -0.034 0.000 0.900 167 E CA -0.912 55.471 56.400 -0.028 0.000 0.755 167 E CB 0.898 30.581 29.700 -0.028 0.000 1.117 167 E HN 0.406 nan 8.360 nan 0.000 0.410 168 L N 5.785 126.987 121.223 -0.035 0.000 2.319 168 L HA 0.435 4.776 4.340 0.000 0.000 0.280 168 L C -0.894 175.948 176.870 -0.048 0.000 1.099 168 L CA 0.102 54.911 54.840 -0.052 0.000 0.828 168 L CB 0.463 42.484 42.059 -0.064 0.000 1.150 168 L HN 0.649 nan 8.230 nan 0.000 0.442 169 I N 7.088 127.623 120.570 -0.059 0.000 2.301 169 I HA 0.324 4.494 4.170 0.000 0.000 0.292 169 I C -0.029 176.026 176.117 -0.103 0.000 1.046 169 I CA 0.112 61.374 61.300 -0.063 0.000 1.282 169 I CB 0.734 38.705 38.000 -0.049 0.000 1.409 169 I HN 0.597 nan 8.210 nan 0.000 0.484 170 I N 5.207 125.685 120.570 -0.153 0.000 2.740 170 I HA 0.906 5.076 4.170 0.000 0.000 0.303 170 I C -0.027 175.848 176.117 -0.402 0.000 1.044 170 I CA -0.135 61.011 61.300 -0.258 0.000 1.064 170 I CB 2.087 39.919 38.000 -0.280 0.000 1.249 170 I HN 0.688 nan 8.210 nan 0.000 0.433 171 G N 4.417 112.982 108.800 -0.391 0.000 2.339 171 G HA2 0.095 4.055 3.960 0.000 0.000 0.302 171 G HA3 0.095 4.055 3.960 0.000 0.000 0.302 171 G C -1.911 172.867 174.900 -0.203 0.000 1.425 171 G CA -0.871 43.992 45.100 -0.396 0.000 0.899 171 G HN 0.526 nan 8.290 nan 0.000 0.619 172 D N 0.246 120.563 120.400 -0.137 0.000 2.354 172 D HA 0.400 5.040 4.640 0.000 0.000 0.238 172 D C 1.437 177.702 176.300 -0.059 0.000 1.250 172 D CA 0.049 54.010 54.000 -0.064 0.000 0.911 172 D CB 0.391 41.179 40.800 -0.019 0.000 1.163 172 D HN 0.692 nan 8.370 nan 0.000 0.456 173 R N 0.346 120.825 120.500 -0.036 0.000 2.756 173 R HA 0.023 4.363 4.340 0.000 0.000 0.264 173 R C -0.201 176.066 176.300 -0.054 0.000 1.026 173 R CA -0.149 55.931 56.100 -0.033 0.000 1.121 173 R CB -0.224 30.068 30.300 -0.013 0.000 0.999 173 R HN 0.404 nan 8.270 nan 0.000 0.449 174 Q N -0.386 119.376 119.800 -0.063 0.000 2.453 174 Q HA -0.221 4.119 4.340 0.000 0.000 0.294 174 Q C -0.027 175.858 176.000 -0.191 0.000 1.295 174 Q CA 1.148 56.887 55.803 -0.106 0.000 0.853 174 Q CB -1.810 26.875 28.738 -0.089 0.000 1.193 174 Q HN 1.002 nan 8.270 nan 0.000 0.461 175 T N -4.923 109.546 114.554 -0.141 0.000 3.038 175 T HA 0.420 4.770 4.350 0.000 0.000 0.244 175 T C 1.230 175.908 174.700 -0.036 0.000 1.016 175 T CA 0.540 62.559 62.100 -0.135 0.000 1.098 175 T CB 1.050 69.875 68.868 -0.071 0.000 0.954 175 T HN 0.879 nan 8.240 nan 0.000 0.469 176 G N 1.235 110.024 108.800 -0.019 0.000 2.223 176 G HA2 -0.063 3.897 3.960 0.000 0.000 0.200 176 G HA3 -0.063 3.897 3.960 0.000 0.000 0.200 176 G C 0.523 175.425 174.900 0.003 0.000 1.061 176 G CA 0.016 45.134 45.100 0.030 0.000 0.790 176 G HN 0.373 nan 8.290 nan 0.000 0.498 177 K N -0.258 120.133 120.400 -0.016 0.000 2.062 177 K HA -0.007 4.313 4.320 0.000 0.000 0.205 177 K C 2.473 179.071 176.600 -0.003 0.000 1.051 177 K CA 1.713 57.986 56.287 -0.022 0.000 0.941 177 K CB -0.142 32.333 32.500 -0.041 0.000 0.719 177 K HN 0.245 nan 8.250 nan 0.000 0.440 178 T N 1.383 115.945 114.554 0.015 0.000 2.737 178 T HA -0.115 4.235 4.350 0.000 0.000 0.265 178 T C 2.069 176.772 174.700 0.006 0.000 1.038 178 T CA 1.297 63.426 62.100 0.049 0.000 1.144 178 T CB -0.320 68.594 68.868 0.075 0.000 0.866 178 T HN 0.312 nan 8.240 nan 0.000 0.434 179 A N 1.161 123.960 122.820 -0.034 0.000 1.927 179 A HA -0.149 4.171 4.320 0.000 0.000 0.220 179 A C 2.569 180.097 177.584 -0.093 0.000 1.185 179 A CA 1.820 53.794 52.037 -0.105 0.000 0.639 179 A CB -1.260 17.670 19.000 -0.116 0.000 0.820 179 A HN 0.367 nan 8.150 nan 0.000 0.451 180 V N -0.645 119.240 119.914 -0.048 0.000 2.407 180 V HA -0.233 3.887 4.120 0.000 0.000 0.248 180 V C 2.958 179.037 176.094 -0.025 0.000 1.055 180 V CA 2.027 64.306 62.300 -0.035 0.000 1.049 180 V CB -1.039 30.773 31.823 -0.018 0.000 0.662 180 V HN 0.667 nan 8.190 nan 0.000 0.455 181 A N -0.564 122.253 122.820 -0.005 0.000 1.898 181 A HA -0.068 4.252 4.320 0.000 0.000 0.214 181 A C 2.087 179.683 177.584 0.020 0.000 1.183 181 A CA 1.467 53.517 52.037 0.022 0.000 0.622 181 A CB -0.468 18.574 19.000 0.070 0.000 0.824 181 A HN 0.421 nan 8.150 nan 0.000 0.444 182 L N 0.352 121.570 121.223 -0.010 0.000 2.017 182 L HA -0.181 4.159 4.340 0.000 0.000 0.208 182 L C 1.717 178.551 176.870 -0.060 0.000 1.073 182 L CA 2.641 57.450 54.840 -0.052 0.000 0.745 182 L CB -0.681 41.323 42.059 -0.091 0.000 0.894 182 L HN 0.364 nan 8.230 nan 0.000 0.432 183 D N -1.414 118.929 120.400 -0.094 0.000 2.149 183 D HA -0.171 4.469 4.640 0.000 0.000 0.198 183 D C 2.069 178.357 176.300 -0.021 0.000 0.990 183 D CA 1.641 55.589 54.000 -0.087 0.000 0.839 183 D CB -0.048 40.686 40.800 -0.110 0.000 0.948 183 D HN 0.374 nan 8.370 nan 0.000 0.460 184 T N -0.034 114.517 114.554 -0.006 0.000 2.777 184 T HA -0.069 4.281 4.350 0.000 0.000 0.266 184 T C 2.064 176.796 174.700 0.054 0.000 1.040 184 T CA 0.575 62.686 62.100 0.019 0.000 1.141 184 T CB -0.150 68.720 68.868 0.002 0.000 0.868 184 T HN 0.162 nan 8.240 nan 0.000 0.444 185 I N 0.749 121.357 120.570 0.063 0.000 2.252 185 I HA -0.116 4.054 4.170 0.000 0.000 0.245 185 I C 2.214 178.454 176.117 0.206 0.000 1.102 185 I CA 1.116 62.497 61.300 0.135 0.000 1.385 185 I CB -0.355 37.702 38.000 0.095 0.000 1.064 185 I HN 0.198 nan 8.210 nan 0.000 0.414 186 L N 0.295 121.583 121.223 0.107 0.000 2.083 186 L HA -0.223 4.117 4.340 0.000 0.000 0.209 186 L C 2.171 179.123 176.870 0.137 0.000 1.083 186 L CA 1.346 56.252 54.840 0.110 0.000 0.752 186 L CB -0.821 41.227 42.059 -0.018 0.000 0.899 186 L HN 0.327 nan 8.230 nan 0.000 0.433 187 N N -0.248 118.513 118.700 0.102 0.000 2.453 187 N HA -0.162 4.578 4.740 0.000 0.000 0.183 187 N C 1.771 177.372 175.510 0.151 0.000 1.041 187 N CA 0.684 53.793 53.050 0.099 0.000 0.900 187 N CB 0.113 38.669 38.487 0.117 0.000 0.961 187 N HN 0.245 nan 8.380 nan 0.000 0.443 188 Q N 0.153 120.045 119.800 0.154 0.000 2.436 188 Q HA -0.051 4.289 4.340 0.000 0.000 0.209 188 Q C 1.579 177.524 176.000 -0.091 0.000 0.965 188 Q CA 0.464 56.326 55.803 0.098 0.000 0.910 188 Q CB -0.122 28.488 28.738 -0.212 0.000 0.980 188 Q HN 0.415 nan 8.270 nan 0.000 0.491 189 K N 1.113 121.494 120.400 -0.031 0.000 2.107 189 K HA -0.205 4.115 4.320 0.000 0.000 0.211 189 K C 2.001 178.487 176.600 -0.191 0.000 1.049 189 K CA 1.539 57.814 56.287 -0.021 0.000 0.927 189 K CB 0.050 32.578 32.500 0.047 0.000 0.714 189 K HN 0.158 nan 8.250 nan 0.000 0.452 190 R N -1.021 119.230 120.500 -0.416 0.000 2.105 190 R HA -0.161 4.179 4.340 0.000 0.000 0.239 190 R C 1.867 177.698 176.300 -0.782 0.000 1.135 190 R CA 1.660 57.278 56.100 -0.803 0.000 0.967 190 R CB -0.153 29.217 30.300 -1.549 0.000 0.861 190 R HN 0.438 nan 8.270 nan 0.000 0.442 191 W N -0.445 120.765 121.300 -0.151 0.000 2.842 191 W HA 0.197 4.857 4.660 0.000 0.000 0.267 191 W C 0.904 177.304 176.519 -0.199 0.000 1.219 191 W CA -0.497 56.752 57.345 -0.161 0.000 1.458 191 W CB -0.242 29.114 29.460 -0.173 0.000 1.006 191 W HN 0.033 nan 8.180 nan 0.000 0.603 192 N N 1.302 119.945 118.700 -0.095 0.000 2.515 192 N HA -0.065 4.675 4.740 0.000 0.000 0.191 192 N C 0.835 176.310 175.510 -0.059 0.000 1.182 192 N CA 0.639 53.570 53.050 -0.198 0.000 0.879 192 N CB -0.238 37.934 38.487 -0.525 0.000 0.984 192 N HN 0.218 nan 8.380 nan 0.000 0.453 193 N N -0.401 118.273 118.700 -0.043 0.000 2.516 193 N HA 0.054 4.795 4.740 0.000 0.000 0.197 193 N C 1.155 176.661 175.510 -0.007 0.000 1.064 193 N CA 0.262 53.305 53.050 -0.012 0.000 0.866 193 N CB -0.077 38.393 38.487 -0.030 0.000 1.255 193 N HN 0.097 nan 8.380 nan 0.000 0.447 194 G N 0.145 108.934 108.800 -0.019 0.000 2.653 194 G HA2 0.246 4.206 3.960 0.000 0.000 0.265 194 G HA3 0.246 4.206 3.960 0.000 0.000 0.265 194 G C 0.853 175.768 174.900 0.025 0.000 1.237 194 G CA -0.179 44.921 45.100 -0.001 0.000 0.946 194 G HN 0.079 nan 8.290 nan 0.000 0.522 195 S N -0.434 115.284 115.700 0.030 0.000 2.363 195 S HA -0.102 4.368 4.470 0.000 0.000 0.218 195 S C 1.089 175.720 174.600 0.052 0.000 1.035 195 S CA 0.858 59.083 58.200 0.041 0.000 1.043 195 S CB -0.346 62.875 63.200 0.035 0.000 0.986 195 S HN 0.681 nan 8.310 nan 0.000 0.423 196 D N 1.829 122.262 120.400 0.055 0.000 2.581 196 D HA -0.052 4.589 4.640 0.000 0.000 0.238 196 D C 0.907 177.243 176.300 0.060 0.000 1.145 196 D CA 0.332 54.367 54.000 0.059 0.000 0.866 196 D CB 0.462 41.300 40.800 0.064 0.000 1.151 196 D HN 0.286 nan 8.370 nan 0.000 0.500 197 E N 1.443 121.682 120.200 0.064 0.000 2.170 197 E HA -0.104 4.246 4.350 0.000 0.000 0.191 197 E C 1.874 178.519 176.600 0.075 0.000 0.981 197 E CA 0.517 56.963 56.400 0.076 0.000 0.830 197 E CB -0.004 29.754 29.700 0.096 0.000 0.775 197 E HN 0.541 nan 8.360 nan 0.000 0.470 198 S N 0.797 116.544 115.700 0.079 0.000 2.481 198 S HA -0.027 4.443 4.470 0.000 0.000 0.231 198 S C 1.770 176.455 174.600 0.143 0.000 0.996 198 S CA 0.693 58.982 58.200 0.148 0.000 0.942 198 S CB -0.019 63.252 63.200 0.118 0.000 0.768 198 S HN 0.077 nan 8.310 nan 0.000 0.520 199 K N 0.839 121.257 120.400 0.030 0.000 2.262 199 K HA 0.201 4.522 4.320 0.000 0.000 0.200 199 K C 0.279 176.806 176.600 -0.121 0.000 1.049 199 K CA 0.240 56.469 56.287 -0.096 0.000 0.979 199 K CB 0.126 32.618 32.500 -0.012 0.000 0.773 199 K HN 0.283 nan 8.250 nan 0.000 0.474 200 K N 1.646 122.011 120.400 -0.059 0.000 2.416 200 K HA 0.044 4.364 4.320 0.000 0.000 0.283 200 K C -0.838 175.579 176.600 -0.306 0.000 1.037 200 K CA -0.106 56.056 56.287 -0.208 0.000 0.995 200 K CB 0.523 32.859 32.500 -0.273 0.000 0.938 200 K HN -0.114 nan 8.250 nan 0.000 0.475 201 L N 5.380 126.353 121.223 -0.416 0.000 2.316 201 L HA 0.301 4.641 4.340 0.000 0.000 0.280 201 L C -1.400 175.196 176.870 -0.456 0.000 1.006 201 L CA -0.487 54.146 54.840 -0.345 0.000 0.836 201 L CB 0.491 42.395 42.059 -0.258 0.000 1.221 201 L HN 0.401 nan 8.230 nan 0.000 0.418 202 Y N 3.149 123.312 120.300 -0.229 0.000 2.301 202 Y HA 0.458 5.008 4.550 0.000 0.000 0.325 202 Y C 0.430 176.214 175.900 -0.193 0.000 1.203 202 Y CA -0.147 57.777 58.100 -0.294 0.000 1.255 202 Y CB 1.052 39.024 38.460 -0.813 0.000 1.232 202 Y HN 0.495 nan 8.280 nan 0.000 0.501 203 C N 2.500 121.877 119.300 0.128 0.000 2.417 203 C HA 0.699 5.159 4.460 0.000 0.000 0.324 203 C C -0.483 174.556 174.990 0.082 0.000 1.240 203 C CA -1.138 57.940 59.018 0.100 0.000 1.632 203 C CB 0.746 28.593 27.740 0.177 0.000 2.241 203 C HN 0.540 nan 8.230 nan 0.000 0.499 204 V N 3.480 123.420 119.914 0.044 0.000 2.349 204 V HA 0.254 4.375 4.120 0.000 0.000 0.284 204 V C -0.947 175.155 176.094 0.014 0.000 1.014 204 V CA -0.492 61.834 62.300 0.044 0.000 0.826 204 V CB 0.834 32.676 31.823 0.032 0.000 1.009 204 V HN 0.813 nan 8.190 nan 0.000 0.431 205 Y N 5.214 125.482 120.300 -0.052 0.000 2.367 205 Y HA 0.604 5.154 4.550 0.000 0.000 0.342 205 Y C -0.186 175.689 175.900 -0.042 0.000 0.979 205 Y CA -0.504 57.559 58.100 -0.063 0.000 1.161 205 Y CB 1.500 39.939 38.460 -0.034 0.000 1.155 205 Y HN 0.410 nan 8.280 nan 0.000 0.503 206 V N 6.713 126.338 119.914 -0.482 0.000 2.333 206 V HA 0.537 4.658 4.120 0.000 0.000 0.274 206 V C 0.049 175.903 176.094 -0.400 0.000 1.028 206 V CA -0.706 61.430 62.300 -0.274 0.000 0.851 206 V CB 0.700 32.478 31.823 -0.075 0.000 1.000 206 V HN 0.926 nan 8.190 nan 0.000 0.456 207 A N 5.682 128.402 122.820 -0.167 0.000 2.316 207 A HA 0.679 4.999 4.320 0.000 0.000 0.311 207 A C -0.357 177.219 177.584 -0.013 0.000 1.339 207 A CA -0.324 51.680 52.037 -0.056 0.000 0.960 207 A CB 0.303 19.388 19.000 0.141 0.000 1.152 207 A HN 0.676 nan 8.150 nan 0.000 0.547 208 V N 2.591 122.491 119.914 -0.024 0.000 2.378 208 V HA 0.626 4.746 4.120 0.000 0.000 0.288 208 V C 1.215 177.329 176.094 0.034 0.000 1.016 208 V CA 0.464 62.772 62.300 0.013 0.000 0.840 208 V CB 0.547 32.375 31.823 0.008 0.000 0.994 208 V HN 1.697 nan 8.190 nan 0.000 0.431 209 G N 3.741 112.571 108.800 0.050 0.000 2.179 209 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 209 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 209 G C 0.268 175.199 174.900 0.052 0.000 0.977 209 G CA 0.375 45.509 45.100 0.057 0.000 0.641 209 G HN 0.642 nan 8.290 nan 0.000 0.533 210 Q N 0.365 120.197 119.800 0.054 0.000 2.535 210 Q HA 0.413 4.753 4.340 0.000 0.000 0.228 210 Q C 0.793 176.826 176.000 0.055 0.000 1.062 210 Q CA 0.400 56.239 55.803 0.059 0.000 0.967 210 Q CB 0.455 29.242 28.738 0.081 0.000 1.273 210 Q HN 0.668 nan 8.270 nan 0.000 0.554 211 K N 0.128 120.558 120.400 0.051 0.000 2.144 211 K HA 0.244 4.564 4.320 0.000 0.000 0.270 211 K C 0.416 177.043 176.600 0.045 0.000 1.005 211 K CA -0.571 55.742 56.287 0.044 0.000 0.932 211 K CB 1.192 33.714 32.500 0.037 0.000 1.021 211 K HN 0.410 nan 8.250 nan 0.000 0.462 212 R N 0.644 121.167 120.500 0.039 0.000 2.103 212 R HA -0.181 4.159 4.340 0.000 0.000 0.242 212 R C 2.292 178.610 176.300 0.031 0.000 1.142 212 R CA 2.305 58.426 56.100 0.036 0.000 0.960 212 R CB -0.407 29.911 30.300 0.029 0.000 0.858 212 R HN 0.950 nan 8.270 nan 0.000 0.439 213 S N -0.533 115.184 115.700 0.028 0.000 2.419 213 S HA -0.113 4.357 4.470 0.000 0.000 0.233 213 S C 1.863 176.479 174.600 0.025 0.000 1.016 213 S CA 1.626 59.840 58.200 0.023 0.000 0.974 213 S CB -0.277 62.935 63.200 0.021 0.000 0.786 213 S HN 0.204 nan 8.310 nan 0.000 0.492 214 T N 2.179 116.754 114.554 0.034 0.000 2.770 214 T HA 0.043 4.393 4.350 0.000 0.000 0.263 214 T C 1.928 176.650 174.700 0.037 0.000 1.039 214 T CA 1.280 63.403 62.100 0.039 0.000 1.142 214 T CB -0.555 68.344 68.868 0.051 0.000 0.868 214 T HN 0.275 nan 8.240 nan 0.000 0.435 215 V N 1.927 121.872 119.914 0.050 0.000 2.332 215 V HA -0.204 3.916 4.120 0.000 0.000 0.248 215 V C 2.899 179.002 176.094 0.015 0.000 1.055 215 V CA 1.776 64.107 62.300 0.052 0.000 1.038 215 V CB -1.229 30.640 31.823 0.077 0.000 0.651 215 V HN 0.531 nan 8.190 nan 0.000 0.450 216 A N -0.353 122.477 122.820 0.016 0.000 1.908 216 A HA -0.328 3.992 4.320 0.000 0.000 0.218 216 A C 2.184 179.765 177.584 -0.005 0.000 1.181 216 A CA 2.312 54.351 52.037 0.004 0.000 0.627 216 A CB -0.581 18.424 19.000 0.008 0.000 0.818 216 A HN 0.557 nan 8.150 nan 0.000 0.445 217 Q N -0.528 119.273 119.800 0.001 0.000 2.167 217 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 217 Q C 1.799 177.793 176.000 -0.010 0.000 0.970 217 Q CA 1.778 57.581 55.803 -0.000 0.000 0.855 217 Q CB -0.484 28.262 28.738 0.014 0.000 0.911 217 Q HN 0.595 nan 8.270 nan 0.000 0.438 218 L N -1.037 120.167 121.223 -0.032 0.000 2.072 218 L HA -0.039 4.301 4.340 0.000 0.000 0.205 218 L C 2.011 178.824 176.870 -0.095 0.000 1.079 218 L CA 0.966 55.756 54.840 -0.083 0.000 0.752 218 L CB -0.322 41.629 42.059 -0.179 0.000 0.906 218 L HN 0.100 nan 8.230 nan 0.000 0.436 219 V N -0.196 119.671 119.914 -0.078 0.000 2.295 219 V HA -0.336 3.784 4.120 0.000 0.000 0.246 219 V C 2.554 178.619 176.094 -0.049 0.000 1.049 219 V CA 2.197 64.457 62.300 -0.066 0.000 1.024 219 V CB -0.675 31.123 31.823 -0.042 0.000 0.648 219 V HN 0.598 nan 8.190 nan 0.000 0.447 220 Q N -0.652 119.127 119.800 -0.035 0.000 2.226 220 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 220 Q C 2.204 178.185 176.000 -0.031 0.000 0.975 220 Q CA 1.981 57.764 55.803 -0.033 0.000 0.866 220 Q CB -0.065 28.655 28.738 -0.028 0.000 0.915 220 Q HN 0.707 nan 8.270 nan 0.000 0.440 221 T N 1.092 115.639 114.554 -0.010 0.000 2.732 221 T HA -0.059 4.291 4.350 0.000 0.000 0.261 221 T C 1.866 176.619 174.700 0.087 0.000 1.040 221 T CA 0.737 62.862 62.100 0.042 0.000 1.145 221 T CB -0.211 68.708 68.868 0.084 0.000 0.866 221 T HN 0.242 nan 8.240 nan 0.000 0.427 222 L N 0.718 121.953 121.223 0.019 0.000 2.129 222 L HA -0.177 4.163 4.340 0.000 0.000 0.212 222 L C 2.670 179.521 176.870 -0.031 0.000 1.087 222 L CA 1.472 56.302 54.840 -0.016 0.000 0.757 222 L CB -0.512 41.489 42.059 -0.098 0.000 0.896 222 L HN 0.376 nan 8.230 nan 0.000 0.434 223 E N -0.465 119.710 120.200 -0.042 0.000 2.047 223 E HA -0.254 4.097 4.350 0.000 0.000 0.191 223 E C 2.225 178.788 176.600 -0.063 0.000 0.987 223 E CA 1.033 57.400 56.400 -0.055 0.000 0.799 223 E CB -0.007 29.661 29.700 -0.053 0.000 0.752 223 E HN 0.419 nan 8.360 nan 0.000 0.449 224 Q N -0.260 119.488 119.800 -0.087 0.000 2.096 224 Q HA -0.208 4.132 4.340 0.000 0.000 0.208 224 Q C 1.246 177.097 176.000 -0.247 0.000 0.993 224 Q CA 1.796 57.482 55.803 -0.195 0.000 0.862 224 Q CB -0.129 28.434 28.738 -0.292 0.000 0.915 224 Q HN 0.430 nan 8.270 nan 0.000 0.416 225 H N -0.548 118.491 119.070 -0.053 0.000 2.555 225 H HA 0.067 4.623 4.556 0.000 0.000 0.283 225 H C -0.355 174.955 175.328 -0.029 0.000 1.037 225 H CA 0.343 56.374 56.048 -0.028 0.000 1.169 225 H CB 0.250 30.014 29.762 0.003 0.000 1.375 225 H HN 0.216 nan 8.280 nan 0.000 0.582 226 D N -0.498 119.911 120.400 0.015 0.000 2.811 226 D HA -0.228 4.412 4.640 0.000 0.000 0.231 226 D C 0.983 177.243 176.300 -0.066 0.000 1.157 226 D CA 0.797 54.788 54.000 -0.015 0.000 0.716 226 D CB -1.009 39.797 40.800 0.010 0.000 1.077 226 D HN 0.564 nan 8.370 nan 0.000 0.428 227 A N -0.924 121.804 122.820 -0.153 0.000 2.252 227 A HA 0.158 4.478 4.320 0.000 0.000 0.213 227 A C 2.073 179.240 177.584 -0.695 0.000 1.188 227 A CA 0.236 51.974 52.037 -0.498 0.000 0.863 227 A CB 0.008 18.865 19.000 -0.239 0.000 0.893 227 A HN 0.286 nan 8.150 nan 0.000 0.495 228 M N 1.178 120.578 119.600 -0.333 0.000 2.149 228 M HA -0.183 4.297 4.480 0.000 0.000 0.261 228 M C 2.152 178.319 176.300 -0.223 0.000 1.064 228 M CA 2.008 57.166 55.300 -0.235 0.000 1.102 228 M CB -0.765 31.762 32.600 -0.123 0.000 1.369 228 M HN 0.712 nan 8.290 nan 0.000 0.408 229 K N 0.354 120.628 120.400 -0.210 0.000 2.281 229 K HA -0.183 4.137 4.320 0.000 0.000 0.203 229 K C 0.721 177.366 176.600 0.076 0.000 1.046 229 K CA 1.528 57.788 56.287 -0.045 0.000 0.938 229 K CB -0.584 31.934 32.500 0.029 0.000 0.737 229 K HN 0.524 nan 8.250 nan 0.000 0.458 230 Y N -0.546 119.816 120.300 0.103 0.000 2.720 230 Y HA 0.539 5.089 4.550 0.000 0.000 0.268 230 Y C -0.573 175.406 175.900 0.131 0.000 1.142 230 Y CA -1.184 57.022 58.100 0.177 0.000 1.193 230 Y CB 0.300 38.831 38.460 0.119 0.000 1.176 230 Y HN -0.130 nan 8.280 nan 0.000 0.542 231 S N 1.208 116.933 115.700 0.040 0.000 2.536 231 S HA 0.716 5.186 4.470 0.000 0.000 0.287 231 S C -0.901 173.727 174.600 0.047 0.000 1.101 231 S CA -0.625 57.598 58.200 0.039 0.000 0.950 231 S CB 1.726 64.883 63.200 -0.071 0.000 1.056 231 S HN 0.284 nan 8.310 nan 0.000 0.481 232 I N 2.918 123.535 120.570 0.078 0.000 2.410 232 I HA 0.388 4.559 4.170 0.000 0.000 0.286 232 I C -0.757 175.414 176.117 0.090 0.000 1.009 232 I CA -0.551 60.794 61.300 0.075 0.000 1.111 232 I CB 1.189 39.246 38.000 0.095 0.000 1.262 232 I HN 0.404 nan 8.210 nan 0.000 0.443 233 I N 6.977 127.595 120.570 0.080 0.000 2.352 233 I HA 0.244 4.414 4.170 0.000 0.000 0.290 233 I C -0.021 176.150 176.117 0.089 0.000 1.036 233 I CA -0.476 60.898 61.300 0.123 0.000 1.336 233 I CB 1.272 39.335 38.000 0.105 0.000 1.407 233 I HN 0.192 nan 8.210 nan 0.000 0.497 234 V N 6.416 126.383 119.914 0.087 0.000 2.328 234 V HA 0.554 4.675 4.120 0.000 0.000 0.278 234 V C 0.434 176.557 176.094 0.049 0.000 1.021 234 V CA -0.602 61.727 62.300 0.050 0.000 0.838 234 V CB 1.335 33.178 31.823 0.034 0.000 0.999 234 V HN 0.851 nan 8.190 nan 0.000 0.447 235 A N 4.359 127.207 122.820 0.046 0.000 2.285 235 A HA 0.830 5.150 4.320 0.000 0.000 0.310 235 A C 0.214 177.819 177.584 0.034 0.000 1.266 235 A CA -0.323 51.745 52.037 0.051 0.000 0.832 235 A CB 1.019 20.056 19.000 0.063 0.000 1.163 235 A HN 1.170 nan 8.150 nan 0.000 0.499 236 A N 3.516 126.356 122.820 0.034 0.000 2.801 236 A HA 0.592 4.912 4.320 0.000 0.000 0.344 236 A C 0.712 178.325 177.584 0.048 0.000 1.322 236 A CA -0.088 51.971 52.037 0.038 0.000 0.913 236 A CB -0.680 18.345 19.000 0.041 0.000 1.140 236 A HN 0.995 nan 8.150 nan 0.000 0.487 237 T N -1.026 113.557 114.554 0.048 0.000 2.726 237 T HA 0.450 4.800 4.350 0.000 0.000 0.294 237 T C 1.622 176.354 174.700 0.052 0.000 1.013 237 T CA -0.001 62.129 62.100 0.051 0.000 0.996 237 T CB 0.843 69.739 68.868 0.047 0.000 1.016 237 T HN 0.910 nan 8.240 nan 0.000 0.529 238 A N 0.760 123.610 122.820 0.050 0.000 2.024 238 A HA -0.063 4.257 4.320 0.000 0.000 0.220 238 A C 2.299 179.911 177.584 0.048 0.000 1.164 238 A CA 1.728 53.795 52.037 0.049 0.000 0.643 238 A CB -1.181 17.845 19.000 0.044 0.000 0.806 238 A HN 1.030 nan 8.150 nan 0.000 0.451 239 S N -0.636 115.091 115.700 0.044 0.000 2.557 239 S HA 0.191 4.661 4.470 0.000 0.000 0.223 239 S C 0.134 174.763 174.600 0.048 0.000 0.969 239 S CA -0.519 57.706 58.200 0.041 0.000 0.927 239 S CB 0.030 63.251 63.200 0.034 0.000 0.806 239 S HN 0.552 nan 8.310 nan 0.000 0.489 240 E N 1.865 122.099 120.200 0.056 0.000 2.266 240 E HA 0.536 4.886 4.350 0.000 0.000 0.277 240 E C -0.008 176.644 176.600 0.087 0.000 1.018 240 E CA -0.485 55.955 56.400 0.067 0.000 0.840 240 E CB 1.375 31.113 29.700 0.062 0.000 1.082 240 E HN 0.412 nan 8.360 nan 0.000 0.395 241 A N 2.009 124.891 122.820 0.104 0.000 2.603 241 A HA 0.064 4.384 4.320 0.000 0.000 0.235 241 A C 1.379 179.061 177.584 0.162 0.000 1.035 241 A CA 0.830 52.944 52.037 0.129 0.000 0.755 241 A CB 0.148 19.251 19.000 0.171 0.000 0.954 241 A HN 0.824 nan 8.150 nan 0.000 0.511 242 A N 4.289 127.195 122.820 0.144 0.000 1.917 242 A HA -0.087 4.233 4.320 0.000 0.000 0.219 242 A C 0.003 177.747 177.584 0.265 0.000 1.182 242 A CA 2.106 54.245 52.037 0.170 0.000 0.633 242 A CB -1.666 17.405 19.000 0.119 0.000 0.819 242 A HN 0.659 nan 8.150 nan 0.000 0.448 243 P HA -0.181 nan 4.420 nan 0.000 0.217 243 P C 1.440 179.034 177.300 0.490 0.000 1.151 243 P CA 1.035 64.424 63.100 0.480 0.000 0.849 243 P CB -0.175 31.864 31.700 0.565 0.000 0.787 244 L N -1.029 120.381 121.223 0.313 0.000 2.056 244 L HA -0.198 4.143 4.340 0.000 0.000 0.207 244 L C 2.611 179.561 176.870 0.133 0.000 1.078 244 L CA 1.560 56.473 54.840 0.122 0.000 0.749 244 L CB -1.078 41.004 42.059 0.038 0.000 0.901 244 L HN 0.045 nan 8.230 nan 0.000 0.433 245 Q N -0.818 119.084 119.800 0.170 0.000 2.124 245 Q HA -0.257 4.083 4.340 0.000 0.000 0.202 245 Q C 2.121 178.239 176.000 0.197 0.000 0.977 245 Q CA 1.915 57.809 55.803 0.152 0.000 0.850 245 Q CB -0.321 28.508 28.738 0.152 0.000 0.901 245 Q HN 0.532 nan 8.270 nan 0.000 0.429 246 Y N 0.856 121.261 120.300 0.176 0.000 2.200 246 Y HA -0.164 4.386 4.550 0.000 0.000 0.290 246 Y C 1.746 177.807 175.900 0.268 0.000 1.137 246 Y CA 1.199 59.437 58.100 0.231 0.000 1.163 246 Y CB -0.253 38.383 38.460 0.294 0.000 0.988 246 Y HN -0.025 nan 8.280 nan 0.000 0.518 247 L N -0.078 121.102 121.223 -0.072 0.000 2.131 247 L HA -0.024 4.316 4.340 0.000 0.000 0.206 247 L C 2.803 179.668 176.870 -0.007 0.000 1.087 247 L CA 0.931 55.690 54.840 -0.134 0.000 0.767 247 L CB -0.810 41.254 42.059 0.008 0.000 0.917 247 L HN 0.356 nan 8.230 nan 0.000 0.441 248 A N 0.992 123.809 122.820 -0.005 0.000 1.927 248 A HA -0.181 4.139 4.320 0.000 0.000 0.220 248 A C -0.316 177.256 177.584 -0.020 0.000 1.185 248 A CA 2.173 54.206 52.037 -0.006 0.000 0.639 248 A CB -1.838 17.165 19.000 0.006 0.000 0.820 248 A HN 0.331 nan 8.150 nan 0.000 0.451 249 P HA 0.008 nan 4.420 nan 0.000 0.231 249 P C 0.946 178.090 177.300 -0.259 0.000 1.168 249 P CA 0.569 63.566 63.100 -0.173 0.000 0.779 249 P CB -0.145 31.236 31.700 -0.532 0.000 0.844 250 F N 1.286 121.144 119.950 -0.153 0.000 2.149 250 F HA -0.094 4.433 4.527 0.000 0.000 0.294 250 F C 2.659 178.423 175.800 -0.058 0.000 1.095 250 F CA 2.076 59.993 58.000 -0.139 0.000 1.276 250 F CB -1.787 37.074 39.000 -0.231 0.000 1.023 250 F HN -0.055 nan 8.300 nan 0.000 0.480 251 T N -1.728 112.905 114.554 0.131 0.000 2.833 251 T HA -0.127 4.223 4.350 0.000 0.000 0.269 251 T C 2.091 176.833 174.700 0.070 0.000 1.054 251 T CA 1.021 63.166 62.100 0.074 0.000 1.135 251 T CB -0.797 68.089 68.868 0.030 0.000 0.869 251 T HN 0.184 nan 8.240 nan 0.000 0.466 252 A N 1.727 124.591 122.820 0.073 0.000 1.929 252 A HA 0.460 4.780 4.320 0.000 0.000 0.216 252 A C 2.813 180.464 177.584 0.111 0.000 1.176 252 A CA 1.492 53.580 52.037 0.084 0.000 0.628 252 A CB -1.294 17.755 19.000 0.082 0.000 0.816 252 A HN 0.728 nan 8.150 nan 0.000 0.444 253 A N -0.222 122.679 122.820 0.135 0.000 1.978 253 A HA -0.080 4.240 4.320 0.000 0.000 0.220 253 A C 2.402 180.060 177.584 0.124 0.000 1.170 253 A CA 2.084 54.206 52.037 0.142 0.000 0.636 253 A CB -0.744 18.330 19.000 0.123 0.000 0.810 253 A HN 0.462 nan 8.150 nan 0.000 0.448 254 S N -0.104 115.662 115.700 0.110 0.000 2.368 254 S HA -0.077 4.393 4.470 0.000 0.000 0.224 254 S C 1.789 176.452 174.600 0.105 0.000 1.029 254 S CA 1.331 59.590 58.200 0.098 0.000 0.988 254 S CB -0.476 62.770 63.200 0.077 0.000 0.838 254 S HN 0.559 nan 8.310 nan 0.000 0.462 255 I N 1.730 122.359 120.570 0.098 0.000 2.208 255 I HA -0.176 3.994 4.170 0.000 0.000 0.245 255 I C 2.707 178.950 176.117 0.209 0.000 1.097 255 I CA 1.300 62.660 61.300 0.100 0.000 1.363 255 I CB -0.858 37.197 38.000 0.091 0.000 1.051 255 I HN 0.387 nan 8.210 nan 0.000 0.413 256 G N 0.051 109.000 108.800 0.248 0.000 2.422 256 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 256 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 256 G C 1.507 176.608 174.900 0.334 0.000 1.146 256 G CA 0.430 45.745 45.100 0.359 0.000 0.769 256 G HN 0.414 nan 8.290 nan 0.000 0.547 257 E N -0.787 119.532 120.200 0.199 0.000 2.204 257 E HA -0.140 4.210 4.350 0.000 0.000 0.195 257 E C 1.918 178.576 176.600 0.098 0.000 0.990 257 E CA 0.407 56.888 56.400 0.134 0.000 0.821 257 E CB -0.183 29.573 29.700 0.093 0.000 0.750 257 E HN 0.688 nan 8.360 nan 0.000 0.477 258 W N 0.438 121.666 121.300 -0.120 0.000 2.342 258 W HA -0.225 4.435 4.660 0.000 0.000 0.297 258 W C 1.395 177.738 176.519 -0.293 0.000 1.213 258 W CA 1.488 58.668 57.345 -0.274 0.000 1.251 258 W CB -0.199 28.980 29.460 -0.468 0.000 1.136 258 W HN -0.005 nan 8.180 nan 0.000 0.526 259 F N 0.054 120.146 119.950 0.237 0.000 2.206 259 F HA -0.045 4.482 4.527 0.000 0.000 0.298 259 F C 2.682 178.429 175.800 -0.088 0.000 1.090 259 F CA 1.865 59.915 58.000 0.084 0.000 1.323 259 F CB -1.289 37.846 39.000 0.224 0.000 1.028 259 F HN -0.205 nan 8.300 nan 0.000 0.492 260 R N 0.751 121.331 120.500 0.133 0.000 2.081 260 R HA -0.168 4.172 4.340 0.000 0.000 0.235 260 R C 1.637 177.888 176.300 -0.082 0.000 1.131 260 R CA 2.100 58.219 56.100 0.033 0.000 0.960 260 R CB -0.444 29.893 30.300 0.062 0.000 0.856 260 R HN 0.196 nan 8.270 nan 0.000 0.436 261 D N 0.327 120.634 120.400 -0.155 0.000 2.123 261 D HA -0.096 4.544 4.640 0.000 0.000 0.200 261 D C 0.695 176.818 176.300 -0.295 0.000 0.976 261 D CA 0.897 54.773 54.000 -0.208 0.000 0.831 261 D CB -0.301 40.362 40.800 -0.228 0.000 0.974 261 D HN 0.240 nan 8.370 nan 0.000 0.469 262 N N 0.375 118.787 118.700 -0.479 0.000 2.410 262 N HA 0.117 4.857 4.740 0.000 0.000 0.231 262 N C 0.947 176.270 175.510 -0.313 0.000 1.172 262 N CA 0.362 53.104 53.050 -0.513 0.000 0.849 262 N CB 0.758 38.647 38.487 -0.996 0.000 1.116 262 N HN 0.170 nan 8.380 nan 0.000 0.485 263 G N 0.764 109.429 108.800 -0.227 0.000 2.168 263 G HA2 -0.322 3.638 3.960 0.000 0.000 0.257 263 G HA3 -0.322 3.638 3.960 0.000 0.000 0.257 263 G C 0.191 174.945 174.900 -0.242 0.000 0.997 263 G CA 0.592 45.578 45.100 -0.189 0.000 0.708 263 G HN 0.371 nan 8.290 nan 0.000 0.520 264 K N -0.607 119.672 120.400 -0.203 0.000 2.288 264 K HA 0.669 4.989 4.320 0.000 0.000 0.234 264 K C -0.389 176.059 176.600 -0.254 0.000 1.037 264 K CA -1.011 55.185 56.287 -0.152 0.000 0.914 264 K CB 1.004 33.641 32.500 0.228 0.000 1.197 264 K HN 0.271 nan 8.250 nan 0.000 0.471 265 H N -0.401 118.754 119.070 0.142 0.000 2.489 265 H HA 0.540 5.096 4.556 0.000 0.000 0.343 265 H C -0.947 174.404 175.328 0.037 0.000 1.086 265 H CA -0.695 55.381 56.048 0.047 0.000 1.198 265 H CB 1.904 31.626 29.762 -0.067 0.000 1.490 265 H HN 0.700 nan 8.280 nan 0.000 0.504 266 A N 2.973 125.883 122.820 0.151 0.000 2.454 266 A HA 0.609 4.929 4.320 0.000 0.000 0.302 266 A C -1.324 176.269 177.584 0.015 0.000 1.079 266 A CA -0.675 51.388 52.037 0.044 0.000 0.731 266 A CB 1.983 21.050 19.000 0.112 0.000 1.299 266 A HN 0.505 nan 8.150 nan 0.000 0.413 267 L N 1.216 122.426 121.223 -0.023 0.000 2.362 267 L HA 0.848 5.188 4.340 0.000 0.000 0.271 267 L C -1.159 175.666 176.870 -0.076 0.000 1.002 267 L CA -0.529 54.282 54.840 -0.048 0.000 0.818 267 L CB 1.617 43.647 42.059 -0.049 0.000 1.298 267 L HN 0.695 nan 8.230 nan 0.000 0.420 268 I N 4.588 125.061 120.570 -0.162 0.000 2.478 268 I HA 0.505 4.675 4.170 0.000 0.000 0.287 268 I C -1.437 174.387 176.117 -0.488 0.000 1.042 268 I CA -0.579 60.520 61.300 -0.335 0.000 1.067 268 I CB 1.830 39.572 38.000 -0.430 0.000 1.233 268 I HN 0.347 nan 8.210 nan 0.000 0.431 269 V N 8.080 127.737 119.914 -0.428 0.000 2.347 269 V HA 0.308 4.428 4.120 0.000 0.000 0.280 269 V C -1.005 174.769 176.094 -0.533 0.000 1.021 269 V CA -0.473 61.601 62.300 -0.377 0.000 0.847 269 V CB 0.915 32.664 31.823 -0.123 0.000 0.990 269 V HN 0.462 nan 8.190 nan 0.000 0.444 270 Y N 2.500 122.653 120.300 -0.245 0.000 2.594 270 Y HA 0.421 4.971 4.550 0.000 0.000 0.342 270 Y C 0.431 176.165 175.900 -0.276 0.000 1.010 270 Y CA -0.968 56.966 58.100 -0.277 0.000 1.270 270 Y CB 0.584 38.893 38.460 -0.253 0.000 1.125 270 Y HN 0.528 nan 8.280 nan 0.000 0.513 271 D N 3.690 123.946 120.400 -0.239 0.000 2.477 271 D HA 0.189 4.829 4.640 0.000 0.000 0.239 271 D C -1.188 175.048 176.300 -0.106 0.000 1.102 271 D CA -0.303 53.582 54.000 -0.192 0.000 0.901 271 D CB 0.258 40.883 40.800 -0.293 0.000 1.026 271 D HN 0.685 nan 8.370 nan 0.000 0.515 272 D N 0.322 120.693 120.400 -0.049 0.000 2.552 272 D HA 0.206 4.846 4.640 0.000 0.000 0.239 272 D C 1.147 177.419 176.300 -0.047 0.000 1.139 272 D CA -0.730 53.238 54.000 -0.052 0.000 0.914 272 D CB 1.000 41.773 40.800 -0.044 0.000 1.461 272 D HN 0.045 nan 8.370 nan 0.000 0.462 273 L N 0.201 121.363 121.223 -0.103 0.000 2.131 273 L HA -0.111 4.229 4.340 0.000 0.000 0.210 273 L C 2.027 178.903 176.870 0.010 0.000 1.092 273 L CA 1.108 55.864 54.840 -0.140 0.000 0.759 273 L CB -0.587 41.178 42.059 -0.489 0.000 0.903 273 L HN 0.424 nan 8.230 nan 0.000 0.435 274 S N 0.334 116.033 115.700 -0.002 0.000 2.365 274 S HA -0.237 4.233 4.470 0.000 0.000 0.225 274 S C 1.945 176.617 174.600 0.120 0.000 1.039 274 S CA 1.604 59.842 58.200 0.064 0.000 1.033 274 S CB -0.206 63.017 63.200 0.038 0.000 0.887 274 S HN 0.410 nan 8.310 nan 0.000 0.447 275 K N 0.952 121.404 120.400 0.088 0.000 2.217 275 K HA -0.017 4.303 4.320 0.000 0.000 0.202 275 K C 2.438 179.119 176.600 0.136 0.000 1.051 275 K CA 0.653 57.003 56.287 0.105 0.000 0.952 275 K CB -0.109 32.434 32.500 0.072 0.000 0.736 275 K HN 0.343 nan 8.250 nan 0.000 0.453 276 Q N 0.750 120.628 119.800 0.129 0.000 2.020 276 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 276 Q C 2.121 178.273 176.000 0.254 0.000 0.982 276 Q CA 1.778 57.683 55.803 0.171 0.000 0.838 276 Q CB -0.144 28.668 28.738 0.122 0.000 0.899 276 Q HN 0.349 nan 8.270 nan 0.000 0.423 277 A N 0.028 123.005 122.820 0.261 0.000 1.908 277 A HA -0.159 4.161 4.320 0.000 0.000 0.218 277 A C 2.225 180.087 177.584 0.463 0.000 1.181 277 A CA 1.687 53.908 52.037 0.306 0.000 0.627 277 A CB -0.799 18.318 19.000 0.196 0.000 0.818 277 A HN 0.321 nan 8.150 nan 0.000 0.445 278 V N -0.310 119.827 119.914 0.372 0.000 2.407 278 V HA -0.233 3.887 4.120 0.000 0.000 0.248 278 V C 3.024 179.233 176.094 0.193 0.000 1.055 278 V CA 1.844 64.305 62.300 0.270 0.000 1.049 278 V CB -1.149 30.791 31.823 0.194 0.000 0.662 278 V HN 0.639 nan 8.190 nan 0.000 0.455 279 A N -0.766 122.185 122.820 0.218 0.000 1.858 279 A HA -0.278 4.042 4.320 0.000 0.000 0.216 279 A C 2.175 179.887 177.584 0.214 0.000 1.190 279 A CA 2.085 54.243 52.037 0.202 0.000 0.617 279 A CB -0.851 18.293 19.000 0.239 0.000 0.827 279 A HN 0.602 nan 8.150 nan 0.000 0.443 280 Y N 0.392 120.794 120.300 0.170 0.000 2.274 280 Y HA -0.194 4.356 4.550 0.000 0.000 0.290 280 Y C 2.506 178.444 175.900 0.064 0.000 1.145 280 Y CA 2.006 60.171 58.100 0.108 0.000 1.203 280 Y CB -0.307 38.269 38.460 0.192 0.000 0.984 280 Y HN 0.324 nan 8.280 nan 0.000 0.533 281 R N 0.110 120.659 120.500 0.083 0.000 2.066 281 R HA -0.220 4.120 4.340 0.000 0.000 0.232 281 R C 2.443 178.660 176.300 -0.138 0.000 1.131 281 R CA 1.718 57.780 56.100 -0.063 0.000 0.955 281 R CB -0.416 29.828 30.300 -0.094 0.000 0.851 281 R HN 0.511 nan 8.270 nan 0.000 0.432 282 Q N 0.593 120.348 119.800 -0.075 0.000 2.029 282 Q HA -0.239 4.101 4.340 0.000 0.000 0.209 282 Q C 2.198 178.130 176.000 -0.113 0.000 0.999 282 Q CA 2.333 58.093 55.803 -0.072 0.000 0.857 282 Q CB -0.217 28.510 28.738 -0.019 0.000 0.926 282 Q HN 0.437 nan 8.270 nan 0.000 0.415 283 L N -0.105 121.028 121.223 -0.152 0.000 1.989 283 L HA -0.223 4.117 4.340 0.000 0.000 0.211 283 L C 2.692 179.416 176.870 -0.244 0.000 1.071 283 L CA 1.429 56.150 54.840 -0.198 0.000 0.749 283 L CB -0.645 41.258 42.059 -0.260 0.000 0.890 283 L HN 0.209 nan 8.230 nan 0.000 0.431 284 S N 0.106 115.588 115.700 -0.363 0.000 2.353 284 S HA -0.165 4.305 4.470 0.000 0.000 0.222 284 S C 1.992 176.488 174.600 -0.174 0.000 1.035 284 S CA 1.395 59.408 58.200 -0.311 0.000 1.025 284 S CB -0.368 62.606 63.200 -0.377 0.000 0.902 284 S HN 0.265 nan 8.310 nan 0.000 0.440 285 L N 0.906 122.038 121.223 -0.152 0.000 2.046 285 L HA -0.075 4.265 4.340 0.000 0.000 0.208 285 L C 2.171 178.988 176.870 -0.089 0.000 1.077 285 L CA 1.007 55.783 54.840 -0.107 0.000 0.747 285 L CB -0.483 41.514 42.059 -0.102 0.000 0.896 285 L HN 0.294 nan 8.230 nan 0.000 0.432 286 L N -0.640 120.526 121.223 -0.094 0.000 2.291 286 L HA -0.147 4.193 4.340 0.000 0.000 0.214 286 L C 2.009 178.837 176.870 -0.070 0.000 1.120 286 L CA 0.739 55.535 54.840 -0.074 0.000 0.799 286 L CB -0.123 41.894 42.059 -0.069 0.000 0.925 286 L HN 0.308 nan 8.230 nan 0.000 0.446 287 L N -0.747 120.424 121.223 -0.086 0.000 2.611 287 L HA 0.083 4.423 4.340 0.000 0.000 0.229 287 L C 0.676 177.511 176.870 -0.059 0.000 1.137 287 L CA 0.003 54.800 54.840 -0.072 0.000 0.901 287 L CB -0.093 41.913 42.059 -0.089 0.000 1.098 287 L HN 0.193 nan 8.230 nan 0.000 0.456 288 R N 0.475 120.939 120.500 -0.060 0.000 3.516 288 R HA -0.178 4.162 4.340 0.000 0.000 0.271 288 R C -0.052 176.222 176.300 -0.044 0.000 1.098 288 R CA 0.432 56.503 56.100 -0.048 0.000 0.732 288 R CB -1.509 28.769 30.300 -0.036 0.000 1.152 288 R HN 0.363 nan 8.270 nan 0.000 0.455 289 R N 1.481 121.948 120.500 -0.055 0.000 2.543 289 R HA 0.134 4.474 4.340 0.000 0.000 0.277 289 R C -1.830 174.449 176.300 -0.036 0.000 1.074 289 R CA -1.439 54.635 56.100 -0.042 0.000 1.076 289 R CB 0.235 30.503 30.300 -0.053 0.000 0.993 289 R HN -0.017 nan 8.270 nan 0.000 0.459 290 P HA 0.022 nan 4.420 nan 0.000 0.261 290 P C -2.367 174.924 177.300 -0.015 0.000 1.203 290 P CA -0.872 62.219 63.100 -0.016 0.000 0.767 290 P CB 0.031 31.728 31.700 -0.006 0.000 0.785 291 P HA 0.188 nan 4.420 nan 0.000 0.280 291 P C 0.463 177.747 177.300 -0.026 0.000 1.244 291 P CA 0.162 63.243 63.100 -0.031 0.000 0.784 291 P CB 1.224 32.894 31.700 -0.050 0.000 0.913 292 G N 2.706 111.493 108.800 -0.021 0.000 2.945 292 G HA2 0.256 4.216 3.960 0.000 0.000 0.156 292 G HA3 0.256 4.216 3.960 0.000 0.000 0.156 292 G C -0.366 174.482 174.900 -0.086 0.000 1.375 292 G CA -0.735 44.333 45.100 -0.054 0.000 1.039 292 G HN 0.543 nan 8.290 nan 0.000 0.586 293 R N 0.575 120.965 120.500 -0.183 0.000 2.570 293 R HA 0.092 4.432 4.340 0.000 0.000 0.277 293 R C 0.195 176.469 176.300 -0.043 0.000 1.039 293 R CA 0.798 56.788 56.100 -0.182 0.000 1.065 293 R CB -0.138 29.932 30.300 -0.383 0.000 0.964 293 R HN 0.721 nan 8.270 nan 0.000 0.428 294 E N 2.341 122.550 120.200 0.014 0.000 2.971 294 E HA -0.347 4.003 4.350 0.000 0.000 0.271 294 E C 0.288 176.816 176.600 -0.121 0.000 1.053 294 E CA 0.609 57.038 56.400 0.048 0.000 0.817 294 E CB -1.074 28.783 29.700 0.260 0.000 1.410 294 E HN 0.880 nan 8.360 nan 0.000 0.445 295 A N -2.345 120.410 122.820 -0.109 0.000 3.201 295 A HA -0.287 4.034 4.320 0.000 0.000 0.260 295 A C -0.018 177.458 177.584 -0.180 0.000 1.222 295 A CA 1.486 53.429 52.037 -0.157 0.000 1.124 295 A CB -2.099 16.788 19.000 -0.188 0.000 1.155 295 A HN 0.394 nan 8.150 nan 0.000 0.924 296 Y N 1.031 121.344 120.300 0.022 0.000 2.359 296 Y HA 0.432 4.982 4.550 0.000 0.000 0.330 296 Y C -1.140 174.809 175.900 0.080 0.000 1.143 296 Y CA -1.150 57.009 58.100 0.100 0.000 1.318 296 Y CB 0.304 38.914 38.460 0.250 0.000 1.234 296 Y HN 0.271 nan 8.280 nan 0.000 0.522 297 P HA 0.000 nan 4.420 nan 0.000 0.271 297 P C 0.670 178.126 177.300 0.260 0.000 1.233 297 P CA 0.107 63.320 63.100 0.188 0.000 0.789 297 P CB 0.818 32.608 31.700 0.149 0.000 0.951 298 G N 0.961 109.876 108.800 0.191 0.000 2.470 298 G HA2 -0.196 3.764 3.960 0.000 0.000 0.220 298 G HA3 -0.196 3.764 3.960 0.000 0.000 0.220 298 G C 0.528 175.584 174.900 0.260 0.000 1.121 298 G CA 0.566 45.781 45.100 0.192 0.000 0.766 298 G HN 0.619 nan 8.290 nan 0.000 0.553 299 D N 0.021 120.604 120.400 0.305 0.000 2.491 299 D HA 0.135 4.775 4.640 0.000 0.000 0.228 299 D C 1.582 178.092 176.300 0.350 0.000 1.183 299 D CA -0.465 53.748 54.000 0.354 0.000 0.827 299 D CB 0.276 41.305 40.800 0.382 0.000 0.989 299 D HN 0.089 nan 8.370 nan 0.000 0.494 300 V N -0.448 119.675 119.914 0.349 0.000 2.591 300 V HA -0.074 4.046 4.120 0.000 0.000 0.249 300 V C 1.702 177.809 176.094 0.021 0.000 1.053 300 V CA 1.005 63.411 62.300 0.177 0.000 1.068 300 V CB -0.587 31.398 31.823 0.270 0.000 0.689 300 V HN 0.220 nan 8.190 nan 0.000 0.462 301 F N 0.040 120.005 119.950 0.025 0.000 2.102 301 F HA -0.231 4.296 4.527 0.000 0.000 0.298 301 F C 2.196 178.042 175.800 0.077 0.000 1.105 301 F CA 2.385 60.382 58.000 -0.005 0.000 1.239 301 F CB -0.593 38.420 39.000 0.022 0.000 0.991 301 F HN 0.358 nan 8.300 nan 0.000 0.474 302 Y N 0.608 121.048 120.300 0.233 0.000 2.256 302 Y HA -0.240 4.310 4.550 0.000 0.000 0.288 302 Y C 2.149 178.045 175.900 -0.007 0.000 1.155 302 Y CA 1.668 59.846 58.100 0.129 0.000 1.203 302 Y CB -0.923 37.620 38.460 0.139 0.000 0.980 302 Y HN 0.248 nan 8.280 nan 0.000 0.530 303 L N -0.325 120.814 121.223 -0.139 0.000 1.989 303 L HA -0.268 4.072 4.340 0.000 0.000 0.211 303 L C 2.278 179.031 176.870 -0.195 0.000 1.071 303 L CA 2.463 57.137 54.840 -0.276 0.000 0.749 303 L CB -0.919 40.843 42.059 -0.495 0.000 0.890 303 L HN 0.333 nan 8.230 nan 0.000 0.431 304 H N -1.530 117.384 119.070 -0.260 0.000 2.372 304 H HA -0.067 4.489 4.556 0.000 0.000 0.301 304 H C 2.413 177.526 175.328 -0.359 0.000 1.065 304 H CA 1.033 56.866 56.048 -0.358 0.000 1.364 304 H CB 0.025 29.552 29.762 -0.392 0.000 1.406 304 H HN 0.572 nan 8.280 nan 0.000 0.521 305 S N 0.939 116.473 115.700 -0.277 0.000 2.368 305 S HA -0.177 4.293 4.470 0.000 0.000 0.224 305 S C 2.094 176.637 174.600 -0.094 0.000 1.029 305 S CA 0.744 58.815 58.200 -0.216 0.000 0.988 305 S CB -0.132 62.943 63.200 -0.207 0.000 0.838 305 S HN 0.300 nan 8.310 nan 0.000 0.462 306 R N 0.480 120.912 120.500 -0.114 0.000 2.096 306 R HA -0.107 4.233 4.340 0.000 0.000 0.240 306 R C 2.474 178.770 176.300 -0.007 0.000 1.139 306 R CA 1.815 57.852 56.100 -0.105 0.000 0.952 306 R CB -0.619 29.483 30.300 -0.329 0.000 0.854 306 R HN 0.562 nan 8.270 nan 0.000 0.436 307 L N 0.524 121.727 121.223 -0.033 0.000 2.044 307 L HA -0.077 4.263 4.340 0.000 0.000 0.205 307 L C 1.856 178.623 176.870 -0.172 0.000 1.075 307 L CA 1.621 56.346 54.840 -0.192 0.000 0.747 307 L CB -0.146 41.507 42.059 -0.676 0.000 0.903 307 L HN 0.146 nan 8.230 nan 0.000 0.435 308 L N -0.541 120.584 121.223 -0.164 0.000 2.558 308 L HA 0.066 4.406 4.340 0.000 0.000 0.225 308 L C 2.103 178.949 176.870 -0.041 0.000 1.128 308 L CA 0.046 54.823 54.840 -0.104 0.000 0.868 308 L CB -0.361 41.612 42.059 -0.143 0.000 1.006 308 L HN 0.237 nan 8.230 nan 0.000 0.454 309 E N 0.370 120.553 120.200 -0.029 0.000 2.358 309 E HA -0.067 4.283 4.350 0.000 0.000 0.195 309 E C 1.806 178.417 176.600 0.019 0.000 1.010 309 E CA 0.374 56.776 56.400 0.004 0.000 0.856 309 E CB 0.082 29.795 29.700 0.021 0.000 0.795 309 E HN 0.432 nan 8.360 nan 0.000 0.504 310 R N 0.654 121.166 120.500 0.021 0.000 2.357 310 R HA 0.050 4.390 4.340 0.000 0.000 0.202 310 R C 0.594 176.922 176.300 0.046 0.000 1.047 310 R CA 0.371 56.495 56.100 0.039 0.000 1.034 310 R CB 0.073 30.404 30.300 0.052 0.000 0.875 310 R HN -0.087 nan 8.270 nan 0.000 0.473 311 A N 1.036 123.879 122.820 0.038 0.000 2.252 311 A HA 0.699 5.019 4.320 0.000 0.000 0.309 311 A C -0.438 177.161 177.584 0.026 0.000 1.285 311 A CA -0.304 51.755 52.037 0.036 0.000 0.900 311 A CB 0.772 19.791 19.000 0.031 0.000 1.157 311 A HN 0.232 nan 8.150 nan 0.000 0.536 312 A N 2.385 125.224 122.820 0.030 0.000 2.610 312 A HA 0.755 5.075 4.320 0.000 0.000 0.291 312 A C -0.864 176.739 177.584 0.032 0.000 1.086 312 A CA -0.771 51.282 52.037 0.027 0.000 0.677 312 A CB 1.165 20.182 19.000 0.029 0.000 1.278 312 A HN 0.791 nan 8.150 nan 0.000 0.414 313 K N 1.665 122.083 120.400 0.030 0.000 2.334 313 K HA 0.617 4.937 4.320 0.000 0.000 0.265 313 K C -0.933 175.696 176.600 0.048 0.000 1.039 313 K CA -0.235 56.078 56.287 0.043 0.000 0.920 313 K CB -0.074 32.443 32.500 0.028 0.000 1.160 313 K HN 0.589 nan 8.250 nan 0.000 0.451 314 L N 2.913 124.162 121.223 0.045 0.000 2.473 314 L HA 0.167 4.507 4.340 0.000 0.000 0.268 314 L C 0.745 177.638 176.870 0.038 0.000 1.215 314 L CA -0.405 54.454 54.840 0.031 0.000 0.823 314 L CB 0.734 42.799 42.059 0.011 0.000 1.099 314 L HN 0.844 nan 8.230 nan 0.000 0.483 315 S N 0.141 115.857 115.700 0.026 0.000 2.589 315 S HA 0.031 4.501 4.470 0.000 0.000 0.265 315 S C 0.834 175.447 174.600 0.022 0.000 1.342 315 S CA -0.574 57.641 58.200 0.026 0.000 1.005 315 S CB 0.922 64.131 63.200 0.014 0.000 0.909 315 S HN 0.669 nan 8.310 nan 0.000 0.555 316 E N 0.504 120.717 120.200 0.020 0.000 2.160 316 E HA -0.200 4.150 4.350 0.000 0.000 0.195 316 E C 1.918 178.520 176.600 0.002 0.000 0.991 316 E CA 1.093 57.502 56.400 0.014 0.000 0.810 316 E CB -0.113 29.591 29.700 0.008 0.000 0.742 316 E HN 0.701 nan 8.360 nan 0.000 0.466 317 K N 0.783 121.183 120.400 -0.001 0.000 2.025 317 K HA -0.133 4.187 4.320 0.000 0.000 0.207 317 K C 1.402 177.994 176.600 -0.013 0.000 1.049 317 K CA 1.021 57.304 56.287 -0.007 0.000 0.933 317 K CB 0.219 32.717 32.500 -0.005 0.000 0.714 317 K HN -0.027 nan 8.250 nan 0.000 0.438 318 E N -0.783 119.409 120.200 -0.012 0.000 2.445 318 E HA 0.043 4.393 4.350 0.000 0.000 0.189 318 E C 0.661 177.239 176.600 -0.037 0.000 1.069 318 E CA 0.641 57.028 56.400 -0.023 0.000 0.871 318 E CB 0.989 30.679 29.700 -0.016 0.000 0.991 318 E HN 0.636 nan 8.360 nan 0.000 0.481 319 G N 0.691 109.472 108.800 -0.033 0.000 2.192 319 G HA2 -0.276 3.684 3.960 0.000 0.000 0.193 319 G HA3 -0.276 3.684 3.960 0.000 0.000 0.193 319 G C 0.600 175.476 174.900 -0.041 0.000 0.999 319 G CA 0.023 45.093 45.100 -0.050 0.000 0.659 319 G HN 0.103 nan 8.290 nan 0.000 0.503 320 S N -1.014 114.682 115.700 -0.008 0.000 3.319 320 S HA -0.170 4.300 4.470 0.000 0.000 0.319 320 S C 1.582 176.192 174.600 0.016 0.000 1.236 320 S CA 1.774 59.993 58.200 0.032 0.000 0.964 320 S CB -1.419 61.815 63.200 0.056 0.000 1.040 320 S HN 2.137 nan 8.310 nan 0.000 0.620 321 G N 0.795 109.564 108.800 -0.052 0.000 2.599 321 G HA2 0.591 4.551 3.960 0.000 0.000 0.264 321 G HA3 0.591 4.551 3.960 0.000 0.000 0.264 321 G C -0.119 174.795 174.900 0.024 0.000 1.200 321 G CA 0.295 45.326 45.100 -0.115 0.000 0.896 321 G HN 1.197 nan 8.290 nan 0.000 0.536 322 S N -1.260 114.494 115.700 0.091 0.000 2.570 322 S HA 0.636 5.106 4.470 0.000 0.000 0.270 322 S C -1.532 173.149 174.600 0.135 0.000 1.149 322 S CA -0.819 57.471 58.200 0.149 0.000 0.837 322 S CB 1.930 65.253 63.200 0.205 0.000 1.124 322 S HN 0.912 nan 8.310 nan 0.000 0.465 323 L N 1.369 122.644 121.223 0.087 0.000 2.385 323 L HA 0.818 5.158 4.340 0.000 0.000 0.273 323 L C -0.936 175.950 176.870 0.027 0.000 0.990 323 L CA 0.214 55.097 54.840 0.071 0.000 0.821 323 L CB 2.234 44.340 42.059 0.079 0.000 1.279 323 L HN 0.992 nan 8.230 nan 0.000 0.412 324 T N 3.795 118.348 114.554 -0.002 0.000 2.824 324 T HA 0.839 5.189 4.350 0.000 0.000 0.282 324 T C -0.686 173.980 174.700 -0.057 0.000 0.993 324 T CA -0.428 61.651 62.100 -0.035 0.000 0.967 324 T CB 1.609 70.440 68.868 -0.062 0.000 0.960 324 T HN 0.762 nan 8.240 nan 0.000 0.441 325 A N 3.199 125.990 122.820 -0.049 0.000 2.318 325 A HA 0.791 5.112 4.320 0.000 0.000 0.324 325 A C -0.535 177.006 177.584 -0.071 0.000 1.170 325 A CA -0.711 51.285 52.037 -0.068 0.000 0.810 325 A CB 0.449 19.466 19.000 0.028 0.000 1.198 325 A HN 0.866 nan 8.150 nan 0.000 0.484 326 L N 4.851 126.005 121.223 -0.116 0.000 2.445 326 L HA 0.327 4.667 4.340 0.000 0.000 0.252 326 L C -2.292 174.532 176.870 -0.077 0.000 1.105 326 L CA -1.688 53.102 54.840 -0.083 0.000 0.943 326 L CB 1.520 43.534 42.059 -0.076 0.000 1.277 326 L HN 0.502 nan 8.230 nan 0.000 0.465 327 P HA 0.184 nan 4.420 nan 0.000 0.277 327 P C -0.601 176.666 177.300 -0.056 0.000 1.240 327 P CA -0.207 62.907 63.100 0.023 0.000 0.798 327 P CB 2.043 33.733 31.700 -0.016 0.000 0.979 328 V N 3.520 123.393 119.914 -0.068 0.000 2.513 328 V HA 0.414 4.534 4.120 0.000 0.000 0.299 328 V C 0.316 176.347 176.094 -0.106 0.000 1.035 328 V CA -0.631 61.620 62.300 -0.082 0.000 0.889 328 V CB 1.670 33.455 31.823 -0.063 0.000 0.988 328 V HN 0.404 nan 8.190 nan 0.000 0.440 329 I N 3.248 123.751 120.570 -0.112 0.000 2.498 329 I HA 0.427 4.597 4.170 0.000 0.000 0.290 329 I C -0.022 176.035 176.117 -0.101 0.000 1.032 329 I CA -0.419 60.815 61.300 -0.110 0.000 1.073 329 I CB 2.005 39.929 38.000 -0.126 0.000 1.251 329 I HN 0.800 nan 8.210 nan 0.000 0.426 330 E N 5.487 125.647 120.200 -0.067 0.000 2.081 330 E HA 0.347 4.697 4.350 0.000 0.000 0.276 330 E C -0.594 175.980 176.600 -0.044 0.000 0.950 330 E CA -0.367 55.998 56.400 -0.059 0.000 0.776 330 E CB 1.049 30.732 29.700 -0.028 0.000 1.094 330 E HN 0.691 nan 8.360 nan 0.000 0.402 331 T N 2.100 116.612 114.554 -0.069 0.000 2.913 331 T HA 0.264 4.614 4.350 0.000 0.000 0.287 331 T C 0.073 174.771 174.700 -0.004 0.000 1.008 331 T CA -0.974 61.104 62.100 -0.036 0.000 1.067 331 T CB 1.460 70.289 68.868 -0.066 0.000 0.996 331 T HN 0.344 nan 8.240 nan 0.000 0.513 332 Q N 1.092 120.908 119.800 0.027 0.000 2.430 332 Q HA 0.438 4.778 4.340 0.000 0.000 0.245 332 Q C 0.945 176.973 176.000 0.047 0.000 1.021 332 Q CA 0.029 55.855 55.803 0.038 0.000 0.867 332 Q CB 0.855 29.623 28.738 0.050 0.000 1.210 332 Q HN 1.315 nan 8.270 nan 0.000 0.487 333 G N 1.763 110.591 108.800 0.046 0.000 2.272 333 G HA2 -0.212 3.748 3.960 0.000 0.000 0.280 333 G HA3 -0.212 3.748 3.960 0.000 0.000 0.280 333 G C 0.768 175.714 174.900 0.077 0.000 1.067 333 G CA 0.656 45.791 45.100 0.058 0.000 0.902 333 G HN 1.164 nan 8.290 nan 0.000 0.500 334 G N -0.748 108.103 108.800 0.085 0.000 2.233 334 G HA2 -0.245 3.715 3.960 0.000 0.000 0.270 334 G HA3 -0.245 3.715 3.960 0.000 0.000 0.270 334 G C 0.244 175.232 174.900 0.147 0.000 1.011 334 G CA 1.096 46.284 45.100 0.147 0.000 0.762 334 G HN 1.430 nan 8.290 nan 0.000 0.511 335 D N -0.063 120.395 120.400 0.097 0.000 2.352 335 D HA 0.399 5.039 4.640 0.000 0.000 0.245 335 D C 1.672 178.029 176.300 0.094 0.000 1.224 335 D CA 0.334 54.390 54.000 0.094 0.000 0.879 335 D CB 0.849 41.696 40.800 0.079 0.000 1.057 335 D HN 0.485 nan 8.370 nan 0.000 0.491 336 V N 1.021 121.007 119.914 0.119 0.000 3.608 336 V HA 0.069 4.189 4.120 0.000 0.000 0.269 336 V C 1.563 177.711 176.094 0.091 0.000 1.245 336 V CA 0.389 62.757 62.300 0.113 0.000 1.138 336 V CB 0.093 32.018 31.823 0.170 0.000 0.841 336 V HN 0.327 nan 8.190 nan 0.000 0.451 337 S N 0.905 116.660 115.700 0.091 0.000 2.496 337 S HA 0.443 4.913 4.470 0.000 0.000 0.224 337 S C 1.369 176.036 174.600 0.112 0.000 0.996 337 S CA 0.509 58.764 58.200 0.092 0.000 0.927 337 S CB -0.165 63.085 63.200 0.083 0.000 0.774 337 S HN 0.877 nan 8.310 nan 0.000 0.524 338 A N 0.631 123.517 122.820 0.110 0.000 2.448 338 A HA 0.259 4.579 4.320 0.000 0.000 0.239 338 A C 0.863 178.548 177.584 0.168 0.000 1.080 338 A CA -0.134 51.988 52.037 0.142 0.000 0.779 338 A CB -0.168 18.905 19.000 0.122 0.000 1.026 338 A HN 0.336 nan 8.150 nan 0.000 0.499 339 Y N 1.443 121.779 120.300 0.060 0.000 2.049 339 Y HA -0.230 4.320 4.550 0.000 0.000 0.277 339 Y C 1.961 177.842 175.900 -0.031 0.000 1.143 339 Y CA 2.380 60.495 58.100 0.026 0.000 1.115 339 Y CB -0.203 38.283 38.460 0.043 0.000 0.975 339 Y HN 0.532 nan 8.280 nan 0.000 0.487 340 I N 0.406 120.886 120.570 -0.150 0.000 2.179 340 I HA -0.200 3.970 4.170 0.000 0.000 0.242 340 I C -0.429 175.609 176.117 -0.133 0.000 1.088 340 I CA 1.389 62.550 61.300 -0.231 0.000 1.357 340 I CB -2.811 35.074 38.000 -0.192 0.000 1.051 340 I HN 0.172 nan 8.210 nan 0.000 0.409 341 P HA -0.103 nan 4.420 nan 0.000 0.215 341 P C 1.873 179.153 177.300 -0.035 0.000 1.157 341 P CA 1.750 64.822 63.100 -0.048 0.000 0.868 341 P CB -0.200 31.493 31.700 -0.011 0.000 0.788 342 T N -0.324 114.223 114.554 -0.012 0.000 2.653 342 T HA -0.192 4.158 4.350 0.000 0.000 0.268 342 T C 1.645 176.345 174.700 0.000 0.000 1.035 342 T CA 1.715 63.822 62.100 0.011 0.000 1.154 342 T CB -0.997 67.897 68.868 0.044 0.000 0.862 342 T HN 0.125 nan 8.240 nan 0.000 0.441 343 N N 0.724 119.378 118.700 -0.078 0.000 2.043 343 N HA -0.078 4.662 4.740 0.000 0.000 0.193 343 N C 1.977 177.441 175.510 -0.076 0.000 1.037 343 N CA 1.021 54.059 53.050 -0.020 0.000 0.851 343 N CB -0.847 37.534 38.487 -0.176 0.000 1.027 343 N HN 0.227 nan 8.380 nan 0.000 0.422 344 V N 1.584 121.423 119.914 -0.126 0.000 2.548 344 V HA -0.099 4.021 4.120 0.000 0.000 0.249 344 V C 2.238 178.272 176.094 -0.100 0.000 1.055 344 V CA 0.867 63.065 62.300 -0.170 0.000 1.065 344 V CB -0.387 31.294 31.823 -0.237 0.000 0.681 344 V HN 0.214 nan 8.190 nan 0.000 0.462 345 I N 1.200 121.742 120.570 -0.046 0.000 2.179 345 I HA -0.233 3.938 4.170 0.000 0.000 0.242 345 I C 2.668 178.795 176.117 0.016 0.000 1.088 345 I CA 1.938 63.235 61.300 -0.005 0.000 1.357 345 I CB -0.489 37.528 38.000 0.027 0.000 1.051 345 I HN 0.474 nan 8.210 nan 0.000 0.409 346 S N 0.720 116.449 115.700 0.048 0.000 2.423 346 S HA -0.058 4.412 4.470 0.000 0.000 0.231 346 S C 1.947 176.600 174.600 0.088 0.000 1.014 346 S CA 0.720 58.975 58.200 0.092 0.000 0.965 346 S CB -0.692 62.607 63.200 0.164 0.000 0.785 346 S HN 0.398 nan 8.310 nan 0.000 0.495 347 I N 2.366 122.946 120.570 0.017 0.000 2.286 347 I HA -0.076 4.094 4.170 0.000 0.000 0.245 347 I C 1.910 178.006 176.117 -0.034 0.000 1.104 347 I CA 1.108 62.378 61.300 -0.050 0.000 1.397 347 I CB -0.771 37.099 38.000 -0.216 0.000 1.072 347 I HN 0.477 nan 8.210 nan 0.000 0.417 348 T N -2.319 112.211 114.554 -0.040 0.000 2.729 348 T HA 0.079 4.429 4.350 0.000 0.000 0.298 348 T C 0.659 175.354 174.700 -0.007 0.000 1.013 348 T CA -0.388 61.693 62.100 -0.032 0.000 0.957 348 T CB 0.912 69.755 68.868 -0.042 0.000 1.130 348 T HN 0.028 nan 8.240 nan 0.000 0.526 349 D N -0.321 120.074 120.400 -0.008 0.000 2.394 349 D HA 0.273 4.913 4.640 0.000 0.000 0.226 349 D C 0.999 177.301 176.300 0.004 0.000 0.990 349 D CA 0.657 54.657 54.000 -0.000 0.000 0.902 349 D CB 0.231 41.028 40.800 -0.005 0.000 1.038 349 D HN 0.788 nan 8.370 nan 0.000 0.499 350 G N 0.081 108.882 108.800 0.001 0.000 2.727 350 G HA2 0.548 4.508 3.960 0.000 0.000 0.289 350 G HA3 0.548 4.508 3.960 0.000 0.000 0.289 350 G C -1.802 173.106 174.900 0.014 0.000 1.418 350 G CA -0.717 44.389 45.100 0.010 0.000 0.818 350 G HN 0.042 nan 8.290 nan 0.000 0.486 351 Q N -0.649 119.172 119.800 0.035 0.000 2.285 351 Q HA 0.633 4.973 4.340 0.000 0.000 0.269 351 Q C -1.411 174.632 176.000 0.073 0.000 1.030 351 Q CA -0.831 55.001 55.803 0.049 0.000 0.788 351 Q CB 2.434 31.224 28.738 0.088 0.000 1.266 351 Q HN 0.432 nan 8.270 nan 0.000 0.438 352 I N 3.682 124.280 120.570 0.047 0.000 2.301 352 I HA 0.295 4.465 4.170 0.000 0.000 0.292 352 I C -0.942 175.229 176.117 0.090 0.000 1.046 352 I CA -0.486 60.853 61.300 0.065 0.000 1.282 352 I CB 0.406 38.421 38.000 0.025 0.000 1.409 352 I HN 0.623 nan 8.210 nan 0.000 0.484 353 F N 7.848 127.797 119.950 -0.002 0.000 2.411 353 F HA 0.561 5.088 4.527 0.000 0.000 0.352 353 F C -0.778 175.026 175.800 0.006 0.000 1.123 353 F CA -0.694 57.307 58.000 0.001 0.000 1.044 353 F CB 0.843 39.845 39.000 0.003 0.000 1.135 353 F HN 0.207 nan 8.300 nan 0.000 0.461 354 L N 6.040 127.315 121.223 0.087 0.000 2.322 354 L HA 0.501 4.841 4.340 0.000 0.000 0.281 354 L C -0.754 176.220 176.870 0.173 0.000 1.014 354 L CA -0.697 54.224 54.840 0.134 0.000 0.815 354 L CB 1.808 43.881 42.059 0.024 0.000 1.247 354 L HN 0.568 nan 8.230 nan 0.000 0.421 355 E N 1.154 121.479 120.200 0.209 0.000 2.199 355 E HA 0.405 4.755 4.350 0.000 0.000 0.269 355 E C 0.223 176.865 176.600 0.069 0.000 0.899 355 E CA -0.505 56.000 56.400 0.175 0.000 0.772 355 E CB 2.446 32.257 29.700 0.184 0.000 1.155 355 E HN 0.736 nan 8.360 nan 0.000 0.408 356 A N 3.031 125.863 122.820 0.020 0.000 1.933 356 A HA -0.219 4.101 4.320 0.000 0.000 0.218 356 A C 1.803 179.305 177.584 -0.137 0.000 1.175 356 A CA 1.472 53.439 52.037 -0.115 0.000 0.628 356 A CB -0.300 18.684 19.000 -0.027 0.000 0.814 356 A HN 0.767 nan 8.150 nan 0.000 0.444 357 E N -0.384 119.849 120.200 0.055 0.000 2.130 357 E HA -0.202 4.148 4.350 0.000 0.000 0.196 357 E C 1.822 178.469 176.600 0.079 0.000 0.998 357 E CA 1.288 57.760 56.400 0.120 0.000 0.806 357 E CB -0.252 29.513 29.700 0.108 0.000 0.738 357 E HN 0.682 nan 8.360 nan 0.000 0.459 358 L N -0.466 120.786 121.223 0.048 0.000 2.217 358 L HA -0.107 4.233 4.340 0.000 0.000 0.211 358 L C 2.216 179.095 176.870 0.016 0.000 1.107 358 L CA 0.383 55.250 54.840 0.044 0.000 0.783 358 L CB -0.267 41.824 42.059 0.053 0.000 0.919 358 L HN 0.127 nan 8.230 nan 0.000 0.442 359 F N 0.137 119.962 119.950 -0.207 0.000 2.084 359 F HA -0.251 4.276 4.527 0.000 0.000 0.296 359 F C 2.252 177.944 175.800 -0.180 0.000 1.111 359 F CA 1.643 59.478 58.000 -0.274 0.000 1.224 359 F CB -0.219 38.468 39.000 -0.522 0.000 0.991 359 F HN -0.026 nan 8.300 nan 0.000 0.471 360 Y N -0.024 120.459 120.300 0.304 0.000 2.509 360 Y HA -0.023 4.527 4.550 0.000 0.000 0.293 360 Y C 2.163 178.123 175.900 0.099 0.000 1.133 360 Y CA 0.502 58.719 58.100 0.195 0.000 1.283 360 Y CB -1.041 37.514 38.460 0.158 0.000 1.001 360 Y HN 0.027 nan 8.280 nan 0.000 0.555 361 K N -0.831 119.674 120.400 0.175 0.000 2.155 361 K HA 0.049 4.369 4.320 0.000 0.000 0.203 361 K C 1.652 178.285 176.600 0.055 0.000 1.052 361 K CA 1.182 57.532 56.287 0.104 0.000 0.948 361 K CB -0.195 32.352 32.500 0.079 0.000 0.728 361 K HN 0.474 nan 8.250 nan 0.000 0.448 362 G N 0.386 109.186 108.800 -0.000 0.000 2.421 362 G HA2 -0.155 3.805 3.960 0.000 0.000 0.188 362 G HA3 -0.155 3.805 3.960 0.000 0.000 0.188 362 G C 0.116 174.947 174.900 -0.114 0.000 1.001 362 G CA -0.516 44.549 45.100 -0.059 0.000 0.693 362 G HN 0.111 nan 8.290 nan 0.000 0.479 363 I N 2.814 123.337 120.570 -0.079 0.000 2.574 363 I HA 0.281 4.451 4.170 0.000 0.000 0.291 363 I C 0.510 176.541 176.117 -0.143 0.000 1.131 363 I CA 0.497 61.756 61.300 -0.068 0.000 1.352 363 I CB 0.075 38.071 38.000 -0.007 0.000 1.431 363 I HN 0.061 nan 8.210 nan 0.000 0.543 364 R N 7.651 128.055 120.500 -0.161 0.000 2.515 364 R HA 0.395 4.735 4.340 0.000 0.000 0.291 364 R C -2.647 173.589 176.300 -0.106 0.000 1.046 364 R CA -1.881 54.092 56.100 -0.212 0.000 0.914 364 R CB 1.889 31.949 30.300 -0.399 0.000 1.191 364 R HN 0.233 nan 8.270 nan 0.000 0.435 365 P HA -0.070 nan 4.420 nan 0.000 0.269 365 P C -0.304 176.985 177.300 -0.018 0.000 1.211 365 P CA -0.027 63.052 63.100 -0.034 0.000 0.781 365 P CB 0.647 32.342 31.700 -0.009 0.000 0.877 366 A N 3.193 126.033 122.820 0.033 0.000 3.197 366 A HA 0.269 4.590 4.320 0.000 0.000 0.263 366 A C 0.583 178.216 177.584 0.081 0.000 1.524 366 A CA -0.435 51.636 52.037 0.057 0.000 1.176 366 A CB -1.416 17.662 19.000 0.130 0.000 1.096 366 A HN 0.423 nan 8.150 nan 0.000 0.655 367 I N 1.167 121.775 120.570 0.064 0.000 2.471 367 I HA 0.027 4.197 4.170 0.000 0.000 0.286 367 I C 0.586 176.755 176.117 0.087 0.000 1.079 367 I CA -0.246 61.105 61.300 0.085 0.000 1.398 367 I CB 0.653 38.690 38.000 0.061 0.000 1.403 367 I HN 0.351 nan 8.210 nan 0.000 0.530 368 N N 6.509 125.280 118.700 0.118 0.000 2.482 368 N HA 0.076 4.816 4.740 0.000 0.000 0.242 368 N C 0.836 176.356 175.510 0.017 0.000 1.100 368 N CA -0.011 53.064 53.050 0.042 0.000 0.946 368 N CB 1.127 39.589 38.487 -0.042 0.000 1.227 368 N HN 0.433 nan 8.380 nan 0.000 0.508 369 V N 3.333 123.260 119.914 0.021 0.000 2.332 369 V HA -0.206 3.914 4.120 0.000 0.000 0.248 369 V C 2.424 178.514 176.094 -0.006 0.000 1.055 369 V CA 2.249 64.561 62.300 0.021 0.000 1.038 369 V CB -0.977 30.868 31.823 0.036 0.000 0.651 369 V HN 0.707 nan 8.190 nan 0.000 0.450 370 G N -0.050 108.731 108.800 -0.031 0.000 2.469 370 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 370 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 370 G C 1.389 176.240 174.900 -0.082 0.000 1.136 370 G CA 1.047 46.114 45.100 -0.055 0.000 0.759 370 G HN 0.546 nan 8.290 nan 0.000 0.562 371 L N 0.582 121.727 121.223 -0.130 0.000 2.640 371 L HA 0.279 4.619 4.340 0.000 0.000 0.230 371 L C 0.344 177.194 176.870 -0.034 0.000 1.123 371 L CA -0.227 54.510 54.840 -0.172 0.000 0.900 371 L CB 0.583 42.334 42.059 -0.513 0.000 1.146 371 L HN -0.034 nan 8.230 nan 0.000 0.484 372 S N 0.847 116.555 115.700 0.013 0.000 2.462 372 S HA 0.641 5.111 4.470 0.000 0.000 0.294 372 S C -0.152 174.470 174.600 0.037 0.000 1.144 372 S CA -0.549 57.689 58.200 0.064 0.000 1.088 372 S CB 1.980 65.226 63.200 0.076 0.000 1.009 372 S HN 0.032 nan 8.310 nan 0.000 0.484 373 V N 0.477 120.415 119.914 0.041 0.000 3.007 373 V HA 0.862 4.982 4.120 0.000 0.000 0.311 373 V C -0.372 175.733 176.094 0.018 0.000 1.120 373 V CA -0.907 61.407 62.300 0.023 0.000 0.980 373 V CB 1.930 33.765 31.823 0.019 0.000 1.033 373 V HN 0.708 nan 8.190 nan 0.000 0.429 374 S N 1.151 116.856 115.700 0.009 0.000 2.774 374 S HA 0.477 4.947 4.470 0.000 0.000 0.297 374 S C 0.426 175.026 174.600 0.001 0.000 1.143 374 S CA -0.705 57.496 58.200 0.002 0.000 1.090 374 S CB 1.192 64.389 63.200 -0.005 0.000 1.019 374 S HN 0.769 nan 8.310 nan 0.000 0.482 375 R N 2.989 123.490 120.500 0.003 0.000 2.323 375 R HA 0.080 4.420 4.340 0.000 0.000 0.198 375 R C 1.540 177.841 176.300 0.001 0.000 0.988 375 R CA 0.481 56.583 56.100 0.003 0.000 1.041 375 R CB -0.123 30.181 30.300 0.008 0.000 0.926 375 R HN 0.558 nan 8.270 nan 0.000 0.476 376 V N 0.153 120.065 119.914 -0.003 0.000 2.307 376 V HA -0.078 4.042 4.120 0.000 0.000 0.245 376 V C 1.516 177.606 176.094 -0.006 0.000 1.045 376 V CA 1.858 64.155 62.300 -0.006 0.000 1.024 376 V CB -0.723 31.092 31.823 -0.014 0.000 0.651 376 V HN 0.718 nan 8.190 nan 0.000 0.449 377 G N -0.503 108.292 108.800 -0.009 0.000 2.499 377 G HA2 -0.290 3.671 3.960 0.000 0.000 0.232 377 G HA3 -0.290 3.671 3.960 0.000 0.000 0.232 377 G C 0.758 175.652 174.900 -0.011 0.000 1.251 377 G CA 0.167 45.262 45.100 -0.009 0.000 0.917 377 G HN 0.283 nan 8.290 nan 0.000 0.580 378 S N 0.565 116.259 115.700 -0.010 0.000 2.402 378 S HA -0.037 4.433 4.470 0.000 0.000 0.233 378 S C 2.823 177.418 174.600 -0.008 0.000 1.030 378 S CA 2.405 60.599 58.200 -0.010 0.000 1.003 378 S CB -0.708 62.487 63.200 -0.009 0.000 0.813 378 S HN 1.844 nan 8.310 nan 0.000 0.477 379 A N 0.968 123.786 122.820 -0.004 0.000 2.093 379 A HA 0.004 4.324 4.320 0.000 0.000 0.222 379 A C 1.998 179.580 177.584 -0.005 0.000 1.162 379 A CA 1.686 53.726 52.037 0.006 0.000 0.655 379 A CB -0.617 18.392 19.000 0.014 0.000 0.805 379 A HN 0.563 nan 8.150 nan 0.000 0.461 380 A N -1.904 120.901 122.820 -0.024 0.000 2.387 380 A HA 0.366 4.686 4.320 0.000 0.000 0.234 380 A C 0.776 178.325 177.584 -0.059 0.000 1.253 380 A CA -0.058 51.947 52.037 -0.052 0.000 0.894 380 A CB 0.004 18.971 19.000 -0.054 0.000 0.963 380 A HN 0.563 nan 8.150 nan 0.000 0.508 381 Q N 0.127 119.904 119.800 -0.038 0.000 2.274 381 Q HA 0.501 4.841 4.340 0.000 0.000 0.260 381 Q C -0.904 175.079 176.000 -0.030 0.000 0.974 381 Q CA -0.638 55.146 55.803 -0.032 0.000 0.876 381 Q CB 2.072 30.800 28.738 -0.017 0.000 1.297 381 Q HN 0.182 nan 8.270 nan 0.000 0.446 382 V N 4.288 124.184 119.914 -0.029 0.000 2.540 382 V HA -0.110 4.010 4.120 0.000 0.000 0.297 382 V C 1.448 177.541 176.094 -0.001 0.000 1.024 382 V CA 0.619 62.909 62.300 -0.017 0.000 1.105 382 V CB 0.672 32.493 31.823 -0.003 0.000 0.938 382 V HN 0.871 nan 8.190 nan 0.000 0.482 383 K N 4.025 124.426 120.400 0.001 0.000 2.103 383 K HA -0.199 4.121 4.320 0.000 0.000 0.207 383 K C 2.097 178.705 176.600 0.014 0.000 1.048 383 K CA 1.596 57.886 56.287 0.006 0.000 0.930 383 K CB -0.145 32.358 32.500 0.006 0.000 0.716 383 K HN 0.863 nan 8.250 nan 0.000 0.444 384 A N 1.045 123.876 122.820 0.017 0.000 1.902 384 A HA -0.169 4.151 4.320 0.000 0.000 0.217 384 A C 1.981 179.586 177.584 0.036 0.000 1.181 384 A CA 1.254 53.306 52.037 0.025 0.000 0.623 384 A CB -0.547 18.466 19.000 0.022 0.000 0.818 384 A HN 0.347 nan 8.150 nan 0.000 0.443 385 L N -0.031 121.212 121.223 0.032 0.000 2.141 385 L HA -0.089 4.251 4.340 0.000 0.000 0.209 385 L C 2.251 179.140 176.870 0.031 0.000 1.094 385 L CA 2.323 57.186 54.840 0.038 0.000 0.763 385 L CB -0.574 41.504 42.059 0.031 0.000 0.908 385 L HN 0.475 nan 8.230 nan 0.000 0.437 386 K N -0.972 119.439 120.400 0.019 0.000 2.057 386 K HA -0.213 4.107 4.320 0.000 0.000 0.207 386 K C 1.989 178.596 176.600 0.013 0.000 1.049 386 K CA 1.680 57.972 56.287 0.009 0.000 0.931 386 K CB -0.012 32.490 32.500 0.002 0.000 0.714 386 K HN 0.502 nan 8.250 nan 0.000 0.440 387 Q N 0.213 120.029 119.800 0.027 0.000 1.965 387 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 387 Q C 2.168 178.206 176.000 0.063 0.000 0.981 387 Q CA 2.066 57.893 55.803 0.040 0.000 0.834 387 Q CB -0.208 28.561 28.738 0.050 0.000 0.900 387 Q HN 0.330 nan 8.270 nan 0.000 0.426 388 V N -1.284 118.691 119.914 0.101 0.000 2.490 388 V HA -0.182 3.938 4.120 0.000 0.000 0.250 388 V C 2.144 178.288 176.094 0.084 0.000 1.061 388 V CA 1.638 64.033 62.300 0.158 0.000 1.064 388 V CB -1.366 30.588 31.823 0.218 0.000 0.670 388 V HN 0.320 nan 8.190 nan 0.000 0.461 389 A N 0.693 123.540 122.820 0.045 0.000 1.902 389 A HA 0.300 4.620 4.320 0.000 0.000 0.217 389 A C 2.221 179.775 177.584 -0.050 0.000 1.181 389 A CA 2.119 54.160 52.037 0.006 0.000 0.623 389 A CB -1.369 17.632 19.000 0.002 0.000 0.818 389 A HN 1.521 nan 8.150 nan 0.000 0.443 390 G N -0.627 108.141 108.800 -0.053 0.000 2.627 390 G HA2 -0.342 3.618 3.960 0.000 0.000 0.312 390 G HA3 -0.342 3.618 3.960 0.000 0.000 0.312 390 G C 0.814 175.607 174.900 -0.179 0.000 1.299 390 G CA 1.696 46.731 45.100 -0.108 0.000 0.989 390 G HN 1.802 nan 8.290 nan 0.000 0.547 391 S N 0.199 115.707 115.700 -0.320 0.000 2.994 391 S HA 0.380 4.850 4.470 0.000 0.000 0.247 391 S C 1.703 175.980 174.600 -0.538 0.000 1.323 391 S CA 0.765 58.717 58.200 -0.412 0.000 1.246 391 S CB 0.660 63.575 63.200 -0.476 0.000 0.994 391 S HN 1.303 nan 8.310 nan 0.000 0.484 392 L N 1.096 122.138 121.223 -0.302 0.000 2.131 392 L HA 0.066 4.406 4.340 0.000 0.000 0.210 392 L C 2.313 179.141 176.870 -0.070 0.000 1.092 392 L CA 1.821 56.569 54.840 -0.154 0.000 0.759 392 L CB -0.702 41.326 42.059 -0.052 0.000 0.903 392 L HN 0.388 nan 8.230 nan 0.000 0.435 393 K N -0.378 119.975 120.400 -0.078 0.000 2.020 393 K HA -0.225 4.095 4.320 0.000 0.000 0.212 393 K C 2.038 178.631 176.600 -0.012 0.000 1.050 393 K CA 2.145 58.413 56.287 -0.031 0.000 0.929 393 K CB -0.852 31.625 32.500 -0.038 0.000 0.714 393 K HN 0.316 nan 8.250 nan 0.000 0.443 394 L N -0.122 121.057 121.223 -0.073 0.000 2.046 394 L HA -0.071 4.269 4.340 0.000 0.000 0.208 394 L C 1.984 178.943 176.870 0.149 0.000 1.077 394 L CA 1.612 56.443 54.840 -0.015 0.000 0.747 394 L CB -0.545 41.459 42.059 -0.092 0.000 0.896 394 L HN 0.145 nan 8.230 nan 0.000 0.432 395 F N -0.651 119.306 119.950 0.012 0.000 2.134 395 F HA -0.156 4.371 4.527 0.000 0.000 0.299 395 F C 2.373 178.214 175.800 0.067 0.000 1.097 395 F CA 1.000 59.011 58.000 0.018 0.000 1.264 395 F CB -1.181 37.809 39.000 -0.018 0.000 1.001 395 F HN 0.035 nan 8.300 nan 0.000 0.479 396 L N -0.900 120.477 121.223 0.255 0.000 2.376 396 L HA -0.074 4.266 4.340 0.000 0.000 0.219 396 L C 2.341 179.326 176.870 0.192 0.000 1.133 396 L CA 0.754 55.731 54.840 0.229 0.000 0.816 396 L CB -0.436 41.715 42.059 0.153 0.000 0.933 396 L HN 0.102 nan 8.230 nan 0.000 0.449 397 A N -1.045 121.857 122.820 0.137 0.000 1.911 397 A HA -0.106 4.214 4.320 0.000 0.000 0.212 397 A C 2.109 179.740 177.584 0.079 0.000 1.189 397 A CA 0.481 52.566 52.037 0.080 0.000 0.639 397 A CB -0.146 18.883 19.000 0.050 0.000 0.839 397 A HN 0.369 nan 8.150 nan 0.000 0.449 398 Q N -1.663 118.209 119.800 0.121 0.000 2.224 398 Q HA -0.160 4.180 4.340 0.000 0.000 0.203 398 Q C 1.828 177.900 176.000 0.121 0.000 0.970 398 Q CA 1.566 57.433 55.803 0.107 0.000 0.865 398 Q CB -0.299 28.513 28.738 0.123 0.000 0.922 398 Q HN 0.851 nan 8.270 nan 0.000 0.445 399 Y N 1.339 121.665 120.300 0.042 0.000 2.163 399 Y HA -0.131 4.419 4.550 0.000 0.000 0.288 399 Y C 1.868 177.792 175.900 0.039 0.000 1.136 399 Y CA 1.420 59.535 58.100 0.025 0.000 1.147 399 Y CB -0.108 38.364 38.460 0.020 0.000 0.987 399 Y HN -0.145 nan 8.280 nan 0.000 0.509 400 R N 0.506 120.782 120.500 -0.373 0.000 2.127 400 R HA -0.169 4.171 4.340 0.000 0.000 0.238 400 R C 2.119 178.298 176.300 -0.201 0.000 1.134 400 R CA 1.735 57.591 56.100 -0.406 0.000 0.975 400 R CB -0.353 29.830 30.300 -0.196 0.000 0.865 400 R HN 0.544 nan 8.270 nan 0.000 0.447 401 E N 0.104 120.256 120.200 -0.080 0.000 2.153 401 E HA -0.138 4.212 4.350 0.000 0.000 0.194 401 E C 1.828 178.473 176.600 0.075 0.000 0.988 401 E CA 1.260 57.660 56.400 0.001 0.000 0.811 401 E CB 0.164 29.884 29.700 0.034 0.000 0.746 401 E HN 0.151 nan 8.360 nan 0.000 0.466 402 V N 0.792 120.751 119.914 0.075 0.000 2.878 402 V HA -0.057 4.063 4.120 0.000 0.000 0.250 402 V C 2.247 178.473 176.094 0.220 0.000 1.075 402 V CA 1.009 63.452 62.300 0.238 0.000 1.096 402 V CB -0.342 31.543 31.823 0.103 0.000 0.724 402 V HN 0.246 nan 8.190 nan 0.000 0.467 403 A N 0.897 123.682 122.820 -0.058 0.000 2.038 403 A HA -0.309 4.011 4.320 0.000 0.000 0.224 403 A C 2.084 179.663 177.584 -0.008 0.000 1.190 403 A CA 2.367 54.328 52.037 -0.128 0.000 0.668 403 A CB -0.651 18.150 19.000 -0.332 0.000 0.820 403 A HN 0.718 nan 8.150 nan 0.000 0.474 404 A N -2.767 120.042 122.820 -0.019 0.000 2.291 404 A HA 0.470 4.790 4.320 0.000 0.000 0.220 404 A C 1.284 178.768 177.584 -0.166 0.000 1.262 404 A CA 0.217 52.199 52.037 -0.093 0.000 0.867 404 A CB -0.608 18.299 19.000 -0.154 0.000 0.888 404 A HN 0.462 nan 8.150 nan 0.000 0.487 405 F N -0.357 119.582 119.950 -0.019 0.000 2.437 405 F HA 0.349 4.876 4.527 0.000 0.000 0.288 405 F C 1.852 177.653 175.800 0.002 0.000 1.085 405 F CA 0.611 58.607 58.000 -0.007 0.000 1.430 405 F CB -0.052 38.946 39.000 -0.003 0.000 1.120 405 F HN 0.240 nan 8.300 nan 0.000 0.556 411 D N 1.412 121.842 120.400 0.050 0.000 2.233 411 D HA 0.749 5.389 4.640 0.000 0.000 0.240 411 D C -0.635 175.686 176.300 0.034 0.000 1.074 411 D CA 0.119 54.140 54.000 0.035 0.000 0.838 411 D CB 1.619 42.438 40.800 0.031 0.000 1.124 411 D HN 0.519 nan 8.370 nan 0.000 0.475 412 L N 1.332 122.552 121.223 -0.005 0.000 2.415 412 L HA 0.455 4.795 4.340 0.000 0.000 0.256 412 L C -0.259 176.575 176.870 -0.061 0.000 1.010 412 L CA -1.186 53.623 54.840 -0.052 0.000 0.826 412 L CB 1.942 43.959 42.059 -0.070 0.000 1.405 412 L HN 0.265 nan 8.230 nan 0.000 0.410 413 D N 0.621 120.966 120.400 -0.091 0.000 2.539 413 D HA 0.416 5.056 4.640 0.000 0.000 0.276 413 D C 0.934 177.185 176.300 -0.082 0.000 1.206 413 D CA -0.122 53.833 54.000 -0.075 0.000 1.081 413 D CB 0.717 41.473 40.800 -0.073 0.000 1.142 413 D HN 0.523 nan 8.370 nan 0.000 0.595 414 A N -0.004 122.773 122.820 -0.071 0.000 1.873 414 A HA -0.214 4.106 4.320 0.000 0.000 0.218 414 A C 2.219 179.750 177.584 -0.088 0.000 1.193 414 A CA 2.921 54.915 52.037 -0.071 0.000 0.629 414 A CB -1.217 17.746 19.000 -0.060 0.000 0.826 414 A HN 0.532 nan 8.150 nan 0.000 0.447 415 S N -0.711 114.931 115.700 -0.095 0.000 2.335 415 S HA -0.175 4.295 4.470 0.000 0.000 0.216 415 S C 2.270 176.794 174.600 -0.127 0.000 1.032 415 S CA 2.722 60.857 58.200 -0.109 0.000 1.000 415 S CB -1.002 62.139 63.200 -0.098 0.000 0.928 415 S HN 0.843 nan 8.310 nan 0.000 0.434 416 T N -0.253 114.211 114.554 -0.151 0.000 2.822 416 T HA -0.113 4.237 4.350 0.000 0.000 0.270 416 T C 1.795 176.413 174.700 -0.137 0.000 1.064 416 T CA 1.668 63.657 62.100 -0.184 0.000 1.131 416 T CB -0.411 68.261 68.868 -0.326 0.000 0.858 416 T HN 0.489 nan 8.240 nan 0.000 0.483 417 K N 1.301 121.631 120.400 -0.116 0.000 2.021 417 K HA -0.110 4.210 4.320 0.000 0.000 0.205 417 K C 2.547 179.095 176.600 -0.087 0.000 1.047 417 K CA 1.407 57.643 56.287 -0.084 0.000 0.943 417 K CB -0.124 32.333 32.500 -0.072 0.000 0.725 417 K HN 0.565 nan 8.250 nan 0.000 0.439 418 Q N -0.325 119.411 119.800 -0.106 0.000 2.451 418 Q HA 0.025 4.365 4.340 0.000 0.000 0.206 418 Q C 1.106 177.007 176.000 -0.164 0.000 0.947 418 Q CA 1.245 56.972 55.803 -0.126 0.000 0.937 418 Q CB 0.277 28.941 28.738 -0.124 0.000 1.025 418 Q HN 0.084 nan 8.270 nan 0.000 0.511 419 T N 0.711 115.173 114.554 -0.154 0.000 2.770 419 T HA 0.006 4.356 4.350 0.000 0.000 0.263 419 T C 1.572 176.195 174.700 -0.128 0.000 1.039 419 T CA 1.011 63.010 62.100 -0.169 0.000 1.142 419 T CB -0.210 68.584 68.868 -0.124 0.000 0.868 419 T HN 0.216 nan 8.240 nan 0.000 0.435 420 L N 1.023 122.212 121.223 -0.058 0.000 2.043 420 L HA -0.145 4.195 4.340 0.000 0.000 0.212 420 L C 2.602 179.385 176.870 -0.144 0.000 1.075 420 L CA 1.043 55.876 54.840 -0.013 0.000 0.752 420 L CB -0.583 41.501 42.059 0.043 0.000 0.891 420 L HN 0.150 nan 8.230 nan 0.000 0.432 421 V N -0.696 119.135 119.914 -0.139 0.000 2.287 421 V HA -0.289 3.831 4.120 0.000 0.000 0.248 421 V C 2.632 178.598 176.094 -0.214 0.000 1.053 421 V CA 1.646 63.852 62.300 -0.155 0.000 1.027 421 V CB -0.718 31.026 31.823 -0.131 0.000 0.646 421 V HN 0.418 nan 8.190 nan 0.000 0.447 422 R N 0.296 120.649 120.500 -0.245 0.000 2.096 422 R HA -0.100 4.240 4.340 0.000 0.000 0.235 422 R C 2.430 178.528 176.300 -0.337 0.000 1.127 422 R CA 1.508 57.447 56.100 -0.268 0.000 0.968 422 R CB -1.102 29.014 30.300 -0.307 0.000 0.861 422 R HN 0.600 nan 8.270 nan 0.000 0.440 423 G N 1.520 110.003 108.800 -0.528 0.000 2.552 423 G HA2 -0.294 3.666 3.960 0.000 0.000 0.216 423 G HA3 -0.294 3.666 3.960 0.000 0.000 0.216 423 G C 1.143 175.493 174.900 -0.917 0.000 1.240 423 G CA 0.852 45.254 45.100 -1.163 0.000 0.796 423 G HN 0.361 nan 8.290 nan 0.000 0.568 424 E N 0.102 119.902 120.200 -0.666 0.000 2.147 424 E HA -0.190 4.160 4.350 0.000 0.000 0.199 424 E C 2.660 179.148 176.600 -0.188 0.000 1.005 424 E CA 1.087 57.322 56.400 -0.275 0.000 0.810 424 E CB -0.122 29.498 29.700 -0.133 0.000 0.736 424 E HN 0.322 nan 8.360 nan 0.000 0.460 425 R N 0.129 120.505 120.500 -0.207 0.000 2.090 425 R HA 0.002 4.342 4.340 0.000 0.000 0.228 425 R C 2.305 178.535 176.300 -0.117 0.000 1.110 425 R CA 0.739 56.749 56.100 -0.149 0.000 0.973 425 R CB -0.049 30.152 30.300 -0.165 0.000 0.869 425 R HN 0.137 nan 8.270 nan 0.000 0.440 426 L N -0.482 120.662 121.223 -0.132 0.000 2.109 426 L HA -0.101 4.239 4.340 0.000 0.000 0.207 426 L C 2.111 178.960 176.870 -0.036 0.000 1.086 426 L CA 1.142 55.942 54.840 -0.066 0.000 0.760 426 L CB -0.453 41.579 42.059 -0.046 0.000 0.910 426 L HN 0.223 nan 8.230 nan 0.000 0.437 427 T N -1.003 113.516 114.554 -0.058 0.000 2.652 427 T HA -0.295 4.056 4.350 0.000 0.000 0.267 427 T C 1.826 176.527 174.700 0.002 0.000 1.039 427 T CA 1.717 63.818 62.100 0.002 0.000 1.153 427 T CB -0.193 68.698 68.868 0.038 0.000 0.863 427 T HN 0.195 nan 8.240 nan 0.000 0.428 428 Q N 0.525 120.315 119.800 -0.016 0.000 2.224 428 Q HA 0.114 4.454 4.340 0.000 0.000 0.203 428 Q C 2.014 178.021 176.000 0.010 0.000 0.970 428 Q CA 0.991 56.792 55.803 -0.004 0.000 0.865 428 Q CB -0.621 28.110 28.738 -0.013 0.000 0.922 428 Q HN 0.495 nan 8.270 nan 0.000 0.445 429 L N -0.534 120.693 121.223 0.007 0.000 2.093 429 L HA -0.066 4.274 4.340 0.000 0.000 0.208 429 L C 1.656 178.553 176.870 0.044 0.000 1.085 429 L CA 1.012 55.873 54.840 0.036 0.000 0.755 429 L CB -0.076 42.000 42.059 0.029 0.000 0.904 429 L HN 0.349 nan 8.230 nan 0.000 0.435 430 L N -0.509 120.732 121.223 0.030 0.000 2.552 430 L HA -0.053 4.287 4.340 0.000 0.000 0.227 430 L C 0.870 177.750 176.870 0.018 0.000 1.146 430 L CA 0.163 55.021 54.840 0.030 0.000 0.858 430 L CB -0.313 41.764 42.059 0.030 0.000 0.969 430 L HN 0.115 nan 8.230 nan 0.000 0.451 431 K N 1.076 121.483 120.400 0.012 0.000 2.355 431 K HA 0.183 4.503 4.320 0.000 0.000 0.270 431 K C -0.058 176.542 176.600 0.000 0.000 1.003 431 K CA 0.402 56.685 56.287 -0.007 0.000 0.957 431 K CB 0.603 33.096 32.500 -0.012 0.000 0.939 431 K HN -0.012 nan 8.250 nan 0.000 0.482 432 Q N 1.835 121.624 119.800 -0.018 0.000 2.438 432 Q HA 0.163 4.503 4.340 0.000 0.000 0.272 432 Q C -1.446 174.540 176.000 -0.023 0.000 0.994 432 Q CA -0.856 54.942 55.803 -0.008 0.000 0.887 432 Q CB 1.346 30.083 28.738 -0.003 0.000 1.432 432 Q HN 0.552 nan 8.270 nan 0.000 0.392 433 N N 2.010 120.709 118.700 -0.002 0.000 2.444 433 N HA 0.066 4.806 4.740 0.000 0.000 0.255 433 N C -0.493 175.010 175.510 -0.012 0.000 1.255 433 N CA -0.071 52.984 53.050 0.007 0.000 0.933 433 N CB 0.637 39.153 38.487 0.048 0.000 1.143 433 N HN 0.538 nan 8.380 nan 0.000 0.453 434 Q N 0.015 119.799 119.800 -0.028 0.000 2.368 434 Q HA 0.034 4.374 4.340 0.000 0.000 0.237 434 Q C -0.495 175.460 176.000 -0.074 0.000 0.987 434 Q CA -0.186 55.505 55.803 -0.187 0.000 0.896 434 Q CB 0.245 28.784 28.738 -0.332 0.000 1.241 434 Q HN 0.594 nan 8.270 nan 0.000 0.485 435 Y N -0.391 119.877 120.300 -0.054 0.000 4.177 435 Y HA -0.250 4.300 4.550 0.000 0.000 0.227 435 Y C -0.332 175.528 175.900 -0.066 0.000 1.154 435 Y CA 0.820 58.846 58.100 -0.122 0.000 1.887 435 Y CB -2.204 36.190 38.460 -0.110 0.000 1.594 435 Y HN 0.393 nan 8.280 nan 0.000 0.668 436 S N -0.162 115.564 115.700 0.042 0.000 2.300 436 S HA 0.306 4.776 4.470 0.000 0.000 0.172 436 S C -2.580 172.029 174.600 0.014 0.000 1.484 436 S CA -0.924 57.302 58.200 0.042 0.000 1.265 436 S CB 1.336 64.567 63.200 0.053 0.000 1.313 436 S HN 0.068 nan 8.310 nan 0.000 0.387 437 P HA 0.312 nan 4.420 nan 0.000 0.280 437 P C -0.658 176.649 177.300 0.012 0.000 1.244 437 P CA -0.405 62.700 63.100 0.008 0.000 0.784 437 P CB 0.858 32.566 31.700 0.013 0.000 0.913 438 L N 2.277 123.511 121.223 0.019 0.000 2.289 438 L HA 0.480 4.820 4.340 0.000 0.000 0.285 438 L C 1.053 177.937 176.870 0.024 0.000 1.049 438 L CA -0.931 53.918 54.840 0.016 0.000 0.804 438 L CB 1.189 43.263 42.059 0.025 0.000 1.195 438 L HN 0.429 nan 8.230 nan 0.000 0.428 439 A N 2.602 125.420 122.820 -0.004 0.000 2.448 439 A HA 0.126 4.446 4.320 0.000 0.000 0.239 439 A C 1.310 178.916 177.584 0.038 0.000 1.080 439 A CA 0.013 52.050 52.037 0.000 0.000 0.779 439 A CB 0.336 19.296 19.000 -0.067 0.000 1.026 439 A HN 0.860 nan 8.150 nan 0.000 0.499 440 T N 0.494 115.098 114.554 0.084 0.000 2.720 440 T HA -0.154 4.197 4.350 0.000 0.000 0.268 440 T C 1.878 176.603 174.700 0.042 0.000 1.037 440 T CA 1.897 64.045 62.100 0.080 0.000 1.144 440 T CB -0.254 68.683 68.868 0.115 0.000 0.864 440 T HN 0.880 nan 8.240 nan 0.000 0.444 441 E N 1.446 121.658 120.200 0.020 0.000 2.204 441 E HA -0.197 4.153 4.350 0.000 0.000 0.195 441 E C 1.556 178.141 176.600 -0.025 0.000 0.990 441 E CA 1.296 57.691 56.400 -0.009 0.000 0.821 441 E CB -0.298 29.385 29.700 -0.029 0.000 0.750 441 E HN 0.602 nan 8.360 nan 0.000 0.477 442 E N 0.459 120.647 120.200 -0.021 0.000 2.230 442 E HA -0.033 4.317 4.350 0.000 0.000 0.192 442 E C 2.201 178.810 176.600 0.015 0.000 0.987 442 E CA 0.426 56.808 56.400 -0.029 0.000 0.841 442 E CB 0.082 29.762 29.700 -0.034 0.000 0.783 442 E HN 0.344 nan 8.360 nan 0.000 0.481 443 Q N 0.379 120.202 119.800 0.038 0.000 2.096 443 Q HA -0.095 4.245 4.340 0.000 0.000 0.197 443 Q C 2.566 178.622 176.000 0.094 0.000 0.964 443 Q CA 1.446 57.289 55.803 0.067 0.000 0.838 443 Q CB 0.076 28.851 28.738 0.060 0.000 0.906 443 Q HN 0.293 nan 8.270 nan 0.000 0.444 444 V N -0.782 119.180 119.914 0.080 0.000 2.594 444 V HA -0.076 4.044 4.120 0.000 0.000 0.253 444 V C -0.930 175.260 176.094 0.160 0.000 1.069 444 V CA 1.116 63.478 62.300 0.102 0.000 1.082 444 V CB -1.766 30.098 31.823 0.068 0.000 0.680 444 V HN 0.214 nan 8.190 nan 0.000 0.469 445 P HA 0.034 nan 4.420 nan 0.000 0.224 445 P C 2.003 179.572 177.300 0.448 0.000 1.157 445 P CA 1.014 64.279 63.100 0.275 0.000 0.799 445 P CB 0.061 31.851 31.700 0.151 0.000 0.809 446 L N -0.854 120.577 121.223 0.346 0.000 2.093 446 L HA -0.069 4.271 4.340 0.000 0.000 0.208 446 L C 2.657 179.688 176.870 0.269 0.000 1.085 446 L CA 1.202 56.261 54.840 0.366 0.000 0.755 446 L CB -0.718 41.503 42.059 0.270 0.000 0.904 446 L HN -0.146 nan 8.230 nan 0.000 0.435 447 I N -1.600 119.101 120.570 0.218 0.000 2.406 447 I HA -0.287 3.883 4.170 0.000 0.000 0.249 447 I C 2.502 178.724 176.117 0.176 0.000 1.122 447 I CA 1.063 62.458 61.300 0.159 0.000 1.431 447 I CB -0.253 37.819 38.000 0.121 0.000 1.087 447 I HN 0.151 nan 8.210 nan 0.000 0.424 448 Y N 1.869 122.252 120.300 0.137 0.000 2.165 448 Y HA -0.320 4.230 4.550 0.000 0.000 0.286 448 Y C 2.561 178.571 175.900 0.182 0.000 1.155 448 Y CA 1.583 59.774 58.100 0.151 0.000 1.164 448 Y CB -0.213 38.353 38.460 0.176 0.000 0.978 448 Y HN 0.132 nan 8.280 nan 0.000 0.513 449 A N -0.097 122.938 122.820 0.358 0.000 1.908 449 A HA -0.127 4.193 4.320 0.000 0.000 0.218 449 A C 2.445 180.040 177.584 0.019 0.000 1.181 449 A CA 1.880 54.053 52.037 0.227 0.000 0.627 449 A CB -1.649 17.471 19.000 0.201 0.000 0.818 449 A HN 0.582 nan 8.150 nan 0.000 0.445 450 G N -0.741 108.063 108.800 0.005 0.000 2.424 450 G HA2 -0.033 3.927 3.960 0.000 0.000 0.214 450 G HA3 -0.033 3.927 3.960 0.000 0.000 0.214 450 G C 1.533 176.381 174.900 -0.086 0.000 1.202 450 G CA 1.124 46.187 45.100 -0.061 0.000 0.793 450 G HN 0.286 nan 8.290 nan 0.000 0.534 451 V N 1.873 121.757 119.914 -0.049 0.000 2.252 451 V HA -0.243 3.877 4.120 0.000 0.000 0.249 451 V C 2.558 178.589 176.094 -0.104 0.000 1.056 451 V CA 2.007 64.305 62.300 -0.003 0.000 1.022 451 V CB -0.522 31.301 31.823 0.001 0.000 0.641 451 V HN 0.386 nan 8.190 nan 0.000 0.445 452 N N -0.086 118.425 118.700 -0.314 0.000 2.453 452 N HA -0.053 4.687 4.740 0.000 0.000 0.183 452 N C 1.481 176.687 175.510 -0.507 0.000 1.041 452 N CA 1.289 54.057 53.050 -0.471 0.000 0.900 452 N CB 0.477 38.483 38.487 -0.801 0.000 0.961 452 N HN 0.674 nan 8.380 nan 0.000 0.443 453 G N -0.004 108.535 108.800 -0.435 0.000 2.159 453 G HA2 -0.192 3.768 3.960 0.000 0.000 0.170 453 G HA3 -0.192 3.768 3.960 0.000 0.000 0.170 453 G C 0.299 175.026 174.900 -0.288 0.000 1.007 453 G CA -0.127 44.772 45.100 -0.335 0.000 0.672 453 G HN 0.504 nan 8.290 nan 0.000 0.507 454 H N -0.301 118.679 119.070 -0.149 0.000 2.555 454 H HA 0.360 4.916 4.556 0.000 0.000 0.269 454 H C 2.273 177.469 175.328 -0.220 0.000 0.988 454 H CA 0.713 56.677 56.048 -0.140 0.000 1.178 454 H CB 0.258 29.966 29.762 -0.090 0.000 1.373 454 H HN 0.413 nan 8.280 nan 0.000 0.588 455 L N -0.164 120.954 121.223 -0.176 0.000 2.693 455 L HA 0.053 4.393 4.340 0.000 0.000 0.235 455 L C 0.854 177.599 176.870 -0.208 0.000 1.127 455 L CA -0.080 54.587 54.840 -0.288 0.000 0.914 455 L CB 0.455 42.300 42.059 -0.356 0.000 1.193 455 L HN 0.142 nan 8.230 nan 0.000 0.502 456 D N 0.763 121.064 120.400 -0.164 0.000 2.218 456 D HA -0.132 4.508 4.640 0.000 0.000 0.204 456 D C 2.074 178.304 176.300 -0.117 0.000 0.976 456 D CA 1.413 55.327 54.000 -0.143 0.000 0.853 456 D CB 0.037 40.754 40.800 -0.139 0.000 0.939 456 D HN 0.317 nan 8.370 nan 0.000 0.481 457 G N 0.269 109.006 108.800 -0.106 0.000 2.408 457 G HA2 -0.002 3.958 3.960 0.000 0.000 0.213 457 G HA3 -0.002 3.958 3.960 0.000 0.000 0.213 457 G C 0.736 175.586 174.900 -0.083 0.000 1.177 457 G CA -0.269 44.781 45.100 -0.083 0.000 0.802 457 G HN 0.214 nan 8.290 nan 0.000 0.533 458 I N 2.637 123.145 120.570 -0.104 0.000 2.752 458 I HA 0.028 4.198 4.170 0.000 0.000 0.289 458 I C 0.779 176.850 176.117 -0.077 0.000 1.197 458 I CA -0.226 61.020 61.300 -0.089 0.000 1.432 458 I CB 0.477 38.404 38.000 -0.122 0.000 1.359 458 I HN 0.446 nan 8.210 nan 0.000 0.571 459 E N 5.547 125.719 120.200 -0.048 0.000 2.438 459 E HA -0.072 4.278 4.350 0.000 0.000 0.261 459 E C 0.742 177.322 176.600 -0.034 0.000 1.103 459 E CA -0.616 55.761 56.400 -0.037 0.000 0.959 459 E CB 0.756 30.444 29.700 -0.021 0.000 0.958 459 E HN 0.499 nan 8.360 nan 0.000 0.447 460 L N 2.536 123.741 121.223 -0.030 0.000 2.056 460 L HA -0.206 4.134 4.340 0.000 0.000 0.207 460 L C 2.411 179.277 176.870 -0.006 0.000 1.078 460 L CA 2.468 57.291 54.840 -0.027 0.000 0.749 460 L CB -0.708 41.337 42.059 -0.024 0.000 0.901 460 L HN 0.810 nan 8.230 nan 0.000 0.433 461 S N -0.946 114.756 115.700 0.004 0.000 2.419 461 S HA -0.195 4.275 4.470 0.000 0.000 0.235 461 S C 1.975 176.593 174.600 0.031 0.000 1.019 461 S CA 0.963 59.173 58.200 0.017 0.000 0.982 461 S CB -0.614 62.596 63.200 0.016 0.000 0.789 461 S HN 0.522 nan 8.310 nan 0.000 0.490 462 R N 0.143 120.663 120.500 0.033 0.000 2.280 462 R HA 0.288 4.628 4.340 0.000 0.000 0.195 462 R C 1.680 178.043 176.300 0.104 0.000 0.935 462 R CA 0.153 56.292 56.100 0.065 0.000 1.033 462 R CB -0.246 30.090 30.300 0.061 0.000 0.964 462 R HN 0.399 nan 8.270 nan 0.000 0.489 463 I N 0.783 121.389 120.570 0.060 0.000 2.194 463 I HA -0.206 3.964 4.170 0.000 0.000 0.246 463 I C 2.399 178.610 176.117 0.156 0.000 1.093 463 I CA 1.749 63.089 61.300 0.067 0.000 1.355 463 I CB -1.556 36.440 38.000 -0.008 0.000 1.046 463 I HN 0.210 nan 8.210 nan 0.000 0.413 464 G N 1.590 110.458 108.800 0.114 0.000 2.514 464 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 464 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 464 G C 1.484 176.474 174.900 0.151 0.000 1.198 464 G CA 1.066 46.236 45.100 0.116 0.000 0.780 464 G HN 0.647 nan 8.290 nan 0.000 0.565 465 E N -0.468 119.819 120.200 0.145 0.000 2.204 465 E HA -0.165 4.185 4.350 0.000 0.000 0.195 465 E C 2.111 178.835 176.600 0.206 0.000 0.990 465 E CA 0.952 57.439 56.400 0.146 0.000 0.821 465 E CB -0.469 29.302 29.700 0.118 0.000 0.750 465 E HN 0.443 nan 8.360 nan 0.000 0.477 466 F N 2.234 122.261 119.950 0.128 0.000 2.102 466 F HA -0.180 4.347 4.527 0.000 0.000 0.298 466 F C 2.324 178.253 175.800 0.215 0.000 1.105 466 F CA 2.185 60.306 58.000 0.202 0.000 1.239 466 F CB -0.223 38.870 39.000 0.153 0.000 0.991 466 F HN 0.082 nan 8.300 nan 0.000 0.474 467 E N 0.063 120.452 120.200 0.315 0.000 2.049 467 E HA -0.239 4.111 4.350 0.000 0.000 0.198 467 E C 2.143 178.764 176.600 0.035 0.000 1.007 467 E CA 2.025 58.540 56.400 0.192 0.000 0.809 467 E CB -0.306 29.517 29.700 0.204 0.000 0.749 467 E HN 0.487 nan 8.360 nan 0.000 0.450 468 S N 0.099 115.828 115.700 0.048 0.000 2.383 468 S HA -0.139 4.331 4.470 0.000 0.000 0.229 468 S C 2.171 176.756 174.600 -0.024 0.000 1.030 468 S CA 1.151 59.360 58.200 0.015 0.000 1.002 468 S CB -0.187 63.038 63.200 0.042 0.000 0.829 468 S HN 0.180 nan 8.310 nan 0.000 0.467 469 S N 0.925 116.613 115.700 -0.021 0.000 2.336 469 S HA 0.084 4.554 4.470 0.000 0.000 0.216 469 S C 1.510 175.932 174.600 -0.298 0.000 1.032 469 S CA 0.658 58.858 58.200 -0.001 0.000 0.973 469 S CB -0.465 62.902 63.200 0.277 0.000 0.888 469 S HN 0.505 nan 8.310 nan 0.000 0.455 470 F N 2.422 121.825 119.950 -0.910 0.000 2.202 470 F HA -0.061 4.466 4.527 0.000 0.000 0.301 470 F C 1.712 177.188 175.800 -0.540 0.000 1.082 470 F CA 1.105 58.315 58.000 -1.317 0.000 1.313 470 F CB -0.513 37.649 39.000 -1.396 0.000 1.024 470 F HN 0.128 nan 8.300 nan 0.000 0.495 471 L N -0.450 120.514 121.223 -0.432 0.000 2.044 471 L HA -0.173 4.167 4.340 0.000 0.000 0.205 471 L C 2.709 179.417 176.870 -0.270 0.000 1.075 471 L CA 1.498 56.121 54.840 -0.362 0.000 0.747 471 L CB -0.903 41.044 42.059 -0.186 0.000 0.903 471 L HN 0.278 nan 8.230 nan 0.000 0.435 472 S N -1.300 114.294 115.700 -0.177 0.000 2.515 472 S HA -0.205 4.265 4.470 0.000 0.000 0.231 472 S C 1.893 176.437 174.600 -0.094 0.000 0.987 472 S CA 0.414 58.546 58.200 -0.113 0.000 0.936 472 S CB -0.446 62.721 63.200 -0.054 0.000 0.766 472 S HN 0.509 nan 8.310 nan 0.000 0.528 473 Y N 1.629 121.768 120.300 -0.269 0.000 2.314 473 Y HA 0.287 4.837 4.550 0.000 0.000 0.294 473 Y C 1.778 177.536 175.900 -0.236 0.000 1.119 473 Y CA 0.858 58.824 58.100 -0.223 0.000 1.179 473 Y CB -0.271 38.018 38.460 -0.284 0.000 1.025 473 Y HN 0.216 nan 8.280 nan 0.000 0.541 474 L N 0.311 121.307 121.223 -0.378 0.000 2.056 474 L HA -0.207 4.133 4.340 0.000 0.000 0.207 474 L C 2.367 179.056 176.870 -0.302 0.000 1.078 474 L CA 1.684 56.291 54.840 -0.388 0.000 0.749 474 L CB -0.459 41.295 42.059 -0.508 0.000 0.901 474 L HN 0.100 nan 8.230 nan 0.000 0.433 475 K N -0.650 119.595 120.400 -0.258 0.000 2.148 475 K HA -0.083 4.237 4.320 0.000 0.000 0.204 475 K C 2.275 178.759 176.600 -0.193 0.000 1.050 475 K CA 1.380 57.551 56.287 -0.193 0.000 0.942 475 K CB -0.022 32.387 32.500 -0.152 0.000 0.724 475 K HN 0.185 nan 8.250 nan 0.000 0.446 476 S N 0.996 116.562 115.700 -0.223 0.000 2.345 476 S HA -0.056 4.414 4.470 0.000 0.000 0.219 476 S C 1.556 175.982 174.600 -0.290 0.000 1.031 476 S CA 1.374 59.447 58.200 -0.212 0.000 0.984 476 S CB -0.187 62.913 63.200 -0.168 0.000 0.874 476 S HN 0.295 nan 8.310 nan 0.000 0.451 477 N N 0.250 118.663 118.700 -0.478 0.000 2.322 477 N HA 0.061 4.801 4.740 0.000 0.000 0.186 477 N C 0.539 175.679 175.510 -0.617 0.000 1.037 477 N CA 0.769 53.435 53.050 -0.640 0.000 0.869 477 N CB -0.031 37.836 38.487 -1.034 0.000 1.036 477 N HN 0.312 nan 8.380 nan 0.000 0.439 478 H N 0.175 119.041 119.070 -0.340 0.000 2.655 478 H HA 0.187 4.743 4.556 0.000 0.000 0.309 478 H C 0.406 175.617 175.328 -0.195 0.000 1.180 478 H CA -0.064 55.844 56.048 -0.233 0.000 1.087 478 H CB -0.386 29.244 29.762 -0.220 0.000 1.494 478 H HN 0.326 nan 8.280 nan 0.000 0.515 479 N N 1.287 119.909 118.700 -0.130 0.000 2.205 479 N HA -0.158 4.582 4.740 0.000 0.000 0.186 479 N C 1.536 177.001 175.510 -0.074 0.000 1.015 479 N CA 1.084 54.068 53.050 -0.110 0.000 0.862 479 N CB 0.315 38.731 38.487 -0.118 0.000 0.986 479 N HN 0.374 nan 8.380 nan 0.000 0.429 480 E N -0.570 119.596 120.200 -0.056 0.000 2.285 480 E HA -0.053 4.297 4.350 0.000 0.000 0.194 480 E C 1.655 178.235 176.600 -0.032 0.000 0.997 480 E CA 0.538 56.913 56.400 -0.041 0.000 0.845 480 E CB 0.107 29.787 29.700 -0.033 0.000 0.782 480 E HN 0.501 nan 8.360 nan 0.000 0.491 481 L N -0.100 121.105 121.223 -0.030 0.000 2.068 481 L HA -0.074 4.267 4.340 0.000 0.000 0.204 481 L C 2.344 179.184 176.870 -0.049 0.000 1.076 481 L CA 0.672 55.488 54.840 -0.039 0.000 0.753 481 L CB -0.643 41.385 42.059 -0.051 0.000 0.910 481 L HN 0.095 nan 8.230 nan 0.000 0.439 482 L N 0.197 121.382 121.223 -0.062 0.000 2.012 482 L HA -0.198 4.142 4.340 0.000 0.000 0.210 482 L C 2.767 179.605 176.870 -0.053 0.000 1.073 482 L CA 1.940 56.738 54.840 -0.070 0.000 0.748 482 L CB -1.170 40.831 42.059 -0.096 0.000 0.891 482 L HN 0.354 nan 8.230 nan 0.000 0.431 483 T N -1.150 113.373 114.554 -0.052 0.000 2.759 483 T HA -0.250 4.100 4.350 0.000 0.000 0.269 483 T C 1.771 176.455 174.700 -0.028 0.000 1.042 483 T CA 1.389 63.464 62.100 -0.042 0.000 1.140 483 T CB -0.164 68.679 68.868 -0.043 0.000 0.864 483 T HN 0.352 nan 8.240 nan 0.000 0.455 484 E N 0.095 120.279 120.200 -0.027 0.000 2.285 484 E HA 0.018 4.368 4.350 0.000 0.000 0.194 484 E C 1.973 178.565 176.600 -0.013 0.000 0.997 484 E CA 0.335 56.724 56.400 -0.018 0.000 0.845 484 E CB -0.070 29.619 29.700 -0.020 0.000 0.782 484 E HN 0.522 nan 8.360 nan 0.000 0.491 485 I N 0.241 120.800 120.570 -0.018 0.000 2.353 485 I HA -0.173 3.997 4.170 0.000 0.000 0.248 485 I C 2.621 178.743 176.117 0.007 0.000 1.119 485 I CA 0.661 61.956 61.300 -0.008 0.000 1.417 485 I CB -0.129 37.862 38.000 -0.015 0.000 1.078 485 I HN -0.050 nan 8.210 nan 0.000 0.421 486 R N 0.718 121.220 120.500 0.003 0.000 2.276 486 R HA -0.066 4.274 4.340 0.000 0.000 0.203 486 R C 1.554 177.875 176.300 0.034 0.000 1.017 486 R CA 0.977 57.090 56.100 0.021 0.000 1.010 486 R CB 0.223 30.520 30.300 -0.004 0.000 0.900 486 R HN 0.436 nan 8.270 nan 0.000 0.469 487 E N -1.271 118.940 120.200 0.019 0.000 2.391 487 E HA 0.048 4.398 4.350 0.000 0.000 0.206 487 E C 1.380 177.991 176.600 0.019 0.000 0.851 487 E CA -0.114 56.299 56.400 0.021 0.000 1.059 487 E CB 0.585 30.291 29.700 0.009 0.000 1.065 487 E HN -0.001 nan 8.360 nan 0.000 0.512 488 K N -0.062 120.345 120.400 0.012 0.000 2.186 488 K HA 0.047 4.367 4.320 0.000 0.000 0.202 488 K C 1.449 178.056 176.600 0.012 0.000 1.052 488 K CA 1.000 57.292 56.287 0.009 0.000 0.965 488 K CB 0.413 32.915 32.500 0.003 0.000 0.746 488 K HN 0.280 nan 8.250 nan 0.000 0.457 489 G N 1.865 110.674 108.800 0.015 0.000 2.220 489 G HA2 -0.287 3.673 3.960 0.000 0.000 0.269 489 G HA3 -0.287 3.673 3.960 0.000 0.000 0.269 489 G C 0.030 174.937 174.900 0.011 0.000 0.977 489 G CA 0.903 46.012 45.100 0.015 0.000 0.634 489 G HN 0.424 nan 8.290 nan 0.000 0.539 490 E N -1.036 119.169 120.200 0.009 0.000 2.339 490 E HA 0.733 5.083 4.350 0.000 0.000 0.262 490 E C -0.700 175.903 176.600 0.005 0.000 0.934 490 E CA -1.042 55.363 56.400 0.008 0.000 0.802 490 E CB 1.811 31.515 29.700 0.006 0.000 1.275 490 E HN 0.137 nan 8.360 nan 0.000 0.427 491 L N 1.956 123.183 121.223 0.007 0.000 2.388 491 L HA 0.228 4.568 4.340 0.000 0.000 0.267 491 L C -0.019 176.853 176.870 0.003 0.000 0.995 491 L CA -0.561 54.279 54.840 0.000 0.000 0.864 491 L CB 1.465 43.525 42.059 0.002 0.000 1.216 491 L HN 0.536 nan 8.230 nan 0.000 0.430 492 S N 1.262 116.961 115.700 -0.002 0.000 2.600 492 S HA 0.216 4.686 4.470 0.000 0.000 0.265 492 S C 0.985 175.585 174.600 -0.000 0.000 1.325 492 S CA -0.619 57.582 58.200 0.001 0.000 1.002 492 S CB 1.323 64.523 63.200 -0.001 0.000 0.921 492 S HN 0.587 nan 8.310 nan 0.000 0.554 493 K N 0.422 120.826 120.400 0.007 0.000 2.281 493 K HA -0.139 4.181 4.320 0.000 0.000 0.203 493 K C 1.709 178.309 176.600 0.001 0.000 1.046 493 K CA 1.560 57.853 56.287 0.010 0.000 0.938 493 K CB -0.165 32.345 32.500 0.017 0.000 0.737 493 K HN 0.633 nan 8.250 nan 0.000 0.458 494 E N 0.554 120.751 120.200 -0.004 0.000 2.072 494 E HA -0.114 4.236 4.350 0.000 0.000 0.190 494 E C 1.733 178.319 176.600 -0.024 0.000 0.982 494 E CA 0.885 57.279 56.400 -0.010 0.000 0.803 494 E CB -0.018 29.677 29.700 -0.007 0.000 0.755 494 E HN 0.182 nan 8.360 nan 0.000 0.453 495 L N -0.077 121.128 121.223 -0.030 0.000 2.156 495 L HA -0.074 4.266 4.340 0.000 0.000 0.208 495 L C 2.063 178.882 176.870 -0.085 0.000 1.095 495 L CA 0.285 55.094 54.840 -0.051 0.000 0.770 495 L CB -0.136 41.897 42.059 -0.043 0.000 0.914 495 L HN 0.181 nan 8.230 nan 0.000 0.439 496 L N -0.255 120.927 121.223 -0.067 0.000 2.217 496 L HA -0.027 4.313 4.340 0.000 0.000 0.211 496 L C 2.459 179.274 176.870 -0.091 0.000 1.107 496 L CA 1.696 56.480 54.840 -0.094 0.000 0.783 496 L CB -0.618 41.436 42.059 -0.008 0.000 0.919 496 L HN 0.129 nan 8.230 nan 0.000 0.442 497 A N -1.708 121.086 122.820 -0.043 0.000 1.930 497 A HA -0.081 4.239 4.320 0.000 0.000 0.215 497 A C 2.313 179.867 177.584 -0.049 0.000 1.176 497 A CA 1.463 53.489 52.037 -0.019 0.000 0.632 497 A CB -0.609 18.392 19.000 0.001 0.000 0.819 497 A HN 0.483 nan 8.150 nan 0.000 0.445 498 S N 0.019 115.673 115.700 -0.077 0.000 2.368 498 S HA -0.131 4.339 4.470 0.000 0.000 0.224 498 S C 1.827 176.328 174.600 -0.166 0.000 1.029 498 S CA 1.330 59.466 58.200 -0.106 0.000 0.988 498 S CB -0.500 62.641 63.200 -0.098 0.000 0.838 498 S HN 0.447 nan 8.310 nan 0.000 0.462 499 L N 2.209 123.308 121.223 -0.208 0.000 2.079 499 L HA -0.038 4.302 4.340 0.000 0.000 0.210 499 L C 2.159 178.866 176.870 -0.271 0.000 1.081 499 L CA 1.811 56.477 54.840 -0.291 0.000 0.752 499 L CB -0.656 41.109 42.059 -0.489 0.000 0.896 499 L HN 0.182 nan 8.230 nan 0.000 0.433 500 K N -1.384 118.894 120.400 -0.204 0.000 2.002 500 K HA -0.180 4.140 4.320 0.000 0.000 0.209 500 K C 2.357 178.963 176.600 0.011 0.000 1.048 500 K CA 1.678 58.011 56.287 0.075 0.000 0.930 500 K CB -0.343 32.264 32.500 0.179 0.000 0.714 500 K HN 0.353 nan 8.250 nan 0.000 0.438 501 S N -0.374 115.316 115.700 -0.017 0.000 2.355 501 S HA -0.094 4.376 4.470 0.000 0.000 0.222 501 S C 1.905 176.503 174.600 -0.004 0.000 1.031 501 S CA 1.203 59.398 58.200 -0.008 0.000 0.993 501 S CB -0.321 62.876 63.200 -0.004 0.000 0.859 501 S HN 0.488 nan 8.310 nan 0.000 0.453 502 A N 0.450 123.233 122.820 -0.061 0.000 1.972 502 A HA -0.059 4.261 4.320 0.000 0.000 0.219 502 A C 2.280 180.020 177.584 0.260 0.000 1.169 502 A CA 2.149 54.182 52.037 -0.006 0.000 0.635 502 A CB -1.375 17.366 19.000 -0.432 0.000 0.810 502 A HN 0.567 nan 8.150 nan 0.000 0.446 503 T N 0.268 114.914 114.554 0.153 0.000 2.652 503 T HA -0.170 4.180 4.350 0.000 0.000 0.267 503 T C 1.739 176.398 174.700 -0.069 0.000 1.039 503 T CA 1.822 63.917 62.100 -0.009 0.000 1.153 503 T CB -0.318 68.461 68.868 -0.148 0.000 0.863 503 T HN 0.689 nan 8.240 nan 0.000 0.428 504 E N 1.023 121.143 120.200 -0.134 0.000 2.204 504 E HA -0.026 4.324 4.350 0.000 0.000 0.194 504 E C 2.262 178.870 176.600 0.013 0.000 0.989 504 E CA 0.836 57.187 56.400 -0.082 0.000 0.824 504 E CB -0.084 29.570 29.700 -0.076 0.000 0.756 504 E HN 0.274 nan 8.360 nan 0.000 0.477 505 S N 0.016 115.766 115.700 0.084 0.000 2.595 505 S HA -0.057 4.413 4.470 0.000 0.000 0.235 505 S C 1.000 175.672 174.600 0.121 0.000 0.974 505 S CA 0.486 58.771 58.200 0.142 0.000 0.942 505 S CB -0.024 63.330 63.200 0.257 0.000 0.766 505 S HN 0.284 nan 8.310 nan 0.000 0.536 506 F N -0.034 119.851 119.950 -0.109 0.000 2.667 506 F HA 0.276 4.804 4.527 0.000 0.000 0.288 506 F C 1.687 177.408 175.800 -0.131 0.000 1.086 506 F CA 0.092 57.934 58.000 -0.264 0.000 1.297 506 F CB -0.125 38.683 39.000 -0.320 0.000 1.059 506 F HN -0.082 nan 8.300 nan 0.000 0.624 507 V N 1.215 121.087 119.914 -0.070 0.000 2.332 507 V HA -0.320 3.800 4.120 0.000 0.000 0.248 507 V C 2.747 178.743 176.094 -0.163 0.000 1.055 507 V CA 1.997 64.246 62.300 -0.086 0.000 1.038 507 V CB -1.415 30.394 31.823 -0.022 0.000 0.651 507 V HN 0.432 nan 8.190 nan 0.000 0.450 508 A N -0.637 122.100 122.820 -0.137 0.000 2.148 508 A HA -0.167 4.154 4.320 0.000 0.000 0.222 508 A C 1.435 178.925 177.584 -0.158 0.000 1.161 508 A CA 2.040 54.007 52.037 -0.116 0.000 0.662 508 A CB -0.666 18.288 19.000 -0.077 0.000 0.799 508 A HN 0.600 nan 8.150 nan 0.000 0.466 509 T N 0.000 114.391 114.554 -0.272 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.932 62.100 -0.279 0.000 1.349 509 T CB 0.000 68.662 68.868 -0.343 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658