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 1w1r_1_A DATA FIRST_RESID 40 DATA SEQUENCE ALALDGKLRT DSNATAAAST DFGNITSALP AAVLYPSSTG DLVALLSAAN DATA SEQUENCE STPGWPYTIA FRGRGHSLMG QAFAPGGVVV NMASLGDAAA PPRINVSADG DATA SEQUENCE RYVDAGGEQV WIDVLRASLA RGVAPRSWTD YLYLTVGGTL SNAGISGQAF DATA SEQUENCE RHGPQISNVL EMDVITGHGE MVTCSKQLNA DLFDAVLGGL GQFGVITRAR DATA SEQUENCE IAVEPAPARA RWVRFVYTDF AAFSADQERL TAPRXXXXXX SFGPMSYVEG DATA SEQUENCE SVFVNQSLAT DLANTGFFTD ADVARIVALA GERNATTVYS IEATLNYXXX DATA SEQUENCE XXXXAAVDQE LASVLGTLSY VEGFAFQRDV AYAAFLDRVH GEEVALNKLG DATA SEQUENCE LWRVPHPWLN MFVPRSRIAD FDRGVFKGIL QGTDIVGPLI VYPLNKSMWD DATA SEQUENCE DGMSAATPSE DVFYAVSLLF SSXXXNDLAR LQEQNRRILR FCDLAGIQYK DATA SEQUENCE TYLARHTDRS DWVRHFGAAK WNRFVEMKNK YDPKRLLSPG QDIFN 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 40 A HA 0.000 nan 4.320 nan 0.000 0.244 40 A C 0.000 177.620 177.584 0.061 0.000 1.274 40 A CA 0.000 52.072 52.037 0.059 0.000 0.836 40 A CB 0.000 19.038 19.000 0.064 0.000 0.831 41 L N -0.798 120.469 121.223 0.073 0.000 2.586 41 L HA 0.379 4.719 4.340 -0.000 0.000 0.204 41 L C 2.673 179.585 176.870 0.070 0.000 1.053 41 L CA 1.036 55.921 54.840 0.075 0.000 0.856 41 L CB -0.099 42.016 42.059 0.094 0.000 1.192 41 L HN 0.341 nan 8.230 nan 0.000 0.484 42 A N 0.270 123.133 122.820 0.071 0.000 1.902 42 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 42 A C 2.180 179.790 177.584 0.044 0.000 1.181 42 A CA 1.480 53.553 52.037 0.059 0.000 0.623 42 A CB -0.686 18.349 19.000 0.058 0.000 0.818 42 A HN 0.322 nan 8.150 nan 0.000 0.443 43 L N -0.766 120.482 121.223 0.041 0.000 2.141 43 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 43 L C 1.427 178.313 176.870 0.027 0.000 1.094 43 L CA 1.419 56.277 54.840 0.031 0.000 0.763 43 L CB -0.290 41.787 42.059 0.030 0.000 0.908 43 L HN 0.293 nan 8.230 nan 0.000 0.437 44 D N -0.450 119.970 120.400 0.033 0.000 2.363 44 D HA 0.058 4.697 4.640 -0.000 0.000 0.226 44 D C 1.452 177.769 176.300 0.028 0.000 1.020 44 D CA 0.945 54.964 54.000 0.030 0.000 0.892 44 D CB 0.211 41.033 40.800 0.037 0.000 0.900 44 D HN 0.372 nan 8.370 nan 0.000 0.531 45 G N 0.391 109.208 108.800 0.027 0.000 2.179 45 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.260 45 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.260 45 G C 1.302 176.222 174.900 0.034 0.000 0.977 45 G CA 0.616 45.725 45.100 0.015 0.000 0.641 45 G HN 0.357 nan 8.290 nan 0.000 0.533 46 K N -1.112 119.331 120.400 0.071 0.000 2.137 46 K HA 0.302 4.622 4.320 -0.000 0.000 0.202 46 K C 0.941 177.648 176.600 0.179 0.000 1.052 46 K CA 0.602 56.966 56.287 0.128 0.000 0.961 46 K CB 0.195 32.762 32.500 0.112 0.000 0.741 46 K HN 0.309 nan 8.250 nan 0.000 0.452 47 L N 2.081 123.380 121.223 0.126 0.000 2.272 47 L HA 0.211 4.551 4.340 -0.000 0.000 0.284 47 L C -0.895 176.034 176.870 0.098 0.000 1.045 47 L CA -0.083 54.827 54.840 0.117 0.000 0.842 47 L CB 0.589 42.701 42.059 0.087 0.000 1.224 47 L HN -0.076 nan 8.230 nan 0.000 0.430 48 R N 1.918 122.504 120.500 0.144 0.000 2.407 48 R HA 0.502 4.842 4.340 -0.000 0.000 0.303 48 R C 0.561 176.898 176.300 0.062 0.000 0.981 48 R CA 0.277 56.441 56.100 0.106 0.000 0.905 48 R CB 1.300 31.691 30.300 0.151 0.000 1.099 48 R HN 0.706 nan 8.270 nan 0.000 0.459 49 T N -3.142 111.428 114.554 0.026 0.000 3.043 49 T HA 0.020 4.370 4.350 -0.000 0.000 0.272 49 T C 0.317 175.018 174.700 0.002 0.000 0.990 49 T CA -0.612 61.487 62.100 -0.001 0.000 0.897 49 T CB -0.060 68.801 68.868 -0.012 0.000 1.111 49 T HN 0.626 nan 8.240 nan 0.000 0.529 50 D N 2.235 122.642 120.400 0.012 0.000 2.382 50 D HA 0.040 4.680 4.640 -0.000 0.000 0.240 50 D C 1.433 177.737 176.300 0.007 0.000 1.146 50 D CA 0.326 54.330 54.000 0.006 0.000 0.897 50 D CB 1.556 42.357 40.800 0.001 0.000 1.197 50 D HN 0.257 nan 8.370 nan 0.000 0.432 51 S N 2.200 117.900 115.700 0.000 0.000 2.370 51 S HA -0.279 4.190 4.470 -0.000 0.000 0.226 51 S C 1.383 175.986 174.600 0.004 0.000 1.033 51 S CA 1.237 59.435 58.200 -0.003 0.000 1.011 51 S CB -0.491 62.705 63.200 -0.007 0.000 0.852 51 S HN 0.514 nan 8.310 nan 0.000 0.457 52 N N 2.633 121.340 118.700 0.012 0.000 2.120 52 N HA 0.121 4.861 4.740 -0.000 0.000 0.188 52 N C 1.987 177.527 175.510 0.049 0.000 1.024 52 N CA 1.523 54.586 53.050 0.023 0.000 0.852 52 N CB -0.880 37.618 38.487 0.019 0.000 1.003 52 N HN 0.615 nan 8.380 nan 0.000 0.424 53 A N 0.184 123.045 122.820 0.069 0.000 1.858 53 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 53 A C 2.345 179.979 177.584 0.084 0.000 1.190 53 A CA 2.405 54.526 52.037 0.141 0.000 0.617 53 A CB -1.429 17.688 19.000 0.196 0.000 0.827 53 A HN 0.502 nan 8.150 nan 0.000 0.443 54 T N -1.719 112.854 114.554 0.031 0.000 2.746 54 T HA 0.028 4.377 4.350 -0.000 0.000 0.267 54 T C 1.977 176.654 174.700 -0.039 0.000 1.039 54 T CA 1.755 63.844 62.100 -0.018 0.000 1.142 54 T CB -0.701 68.145 68.868 -0.038 0.000 0.866 54 T HN 0.596 nan 8.240 nan 0.000 0.444 55 A N 2.116 124.922 122.820 -0.024 0.000 1.902 55 A HA 0.291 4.611 4.320 -0.000 0.000 0.217 55 A C 2.828 180.398 177.584 -0.022 0.000 1.181 55 A CA 1.956 53.971 52.037 -0.035 0.000 0.623 55 A CB -1.423 17.567 19.000 -0.018 0.000 0.818 55 A HN 0.770 nan 8.150 nan 0.000 0.443 56 A N -0.641 122.190 122.820 0.020 0.000 2.019 56 A HA 0.266 4.586 4.320 -0.000 0.000 0.219 56 A C 2.081 179.693 177.584 0.047 0.000 1.164 56 A CA 1.705 53.772 52.037 0.050 0.000 0.644 56 A CB -0.586 18.469 19.000 0.092 0.000 0.805 56 A HN 1.128 nan 8.150 nan 0.000 0.449 57 A N -0.217 122.611 122.820 0.014 0.000 2.379 57 A HA 0.360 4.680 4.320 -0.000 0.000 0.236 57 A C 1.720 179.261 177.584 -0.071 0.000 1.272 57 A CA 0.929 52.975 52.037 0.015 0.000 0.886 57 A CB -0.432 18.561 19.000 -0.011 0.000 0.962 57 A HN 0.815 nan 8.150 nan 0.000 0.504 58 S N -0.916 114.674 115.700 -0.184 0.000 2.539 58 S HA 0.157 4.627 4.470 -0.000 0.000 0.221 58 S C 0.707 174.910 174.600 -0.662 0.000 0.987 58 S CA 0.594 58.478 58.200 -0.527 0.000 0.929 58 S CB -0.341 62.655 63.200 -0.340 0.000 0.832 58 S HN 0.610 nan 8.310 nan 0.000 0.492 59 T N 0.167 114.651 114.554 -0.116 0.000 2.916 59 T HA 0.735 5.085 4.350 -0.000 0.000 0.292 59 T C -1.420 173.526 174.700 0.410 0.000 1.064 59 T CA -0.541 61.664 62.100 0.175 0.000 1.011 59 T CB 2.064 70.971 68.868 0.065 0.000 1.152 59 T HN 0.310 nan 8.240 nan 0.000 0.510 60 D N -0.257 120.344 120.400 0.336 0.000 2.732 60 D HA 0.336 4.976 4.640 -0.000 0.000 0.292 60 D C 0.546 176.876 176.300 0.051 0.000 1.135 60 D CA -1.246 52.850 54.000 0.159 0.000 1.071 60 D CB 0.113 40.923 40.800 0.016 0.000 1.457 60 D HN 0.373 nan 8.370 nan 0.000 0.547 61 F N 0.721 120.566 119.950 -0.176 0.000 2.161 61 F HA 0.052 4.579 4.527 -0.000 0.000 0.300 61 F C 2.113 177.792 175.800 -0.202 0.000 1.089 61 F CA 2.415 60.242 58.000 -0.289 0.000 1.282 61 F CB -0.455 38.202 39.000 -0.572 0.000 1.010 61 F HN 0.459 nan 8.300 nan 0.000 0.485 62 G N -0.185 108.488 108.800 -0.212 0.000 2.442 62 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.219 62 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.219 62 G C 0.945 175.675 174.900 -0.284 0.000 1.141 62 G CA 0.929 45.862 45.100 -0.279 0.000 0.763 62 G HN 0.659 nan 8.290 nan 0.000 0.554 63 N N -1.171 117.417 118.700 -0.186 0.000 2.725 63 N HA -0.179 4.560 4.740 -0.000 0.000 0.249 63 N C 0.858 176.291 175.510 -0.128 0.000 1.103 63 N CA 0.661 53.614 53.050 -0.161 0.000 0.707 63 N CB -0.740 37.584 38.487 -0.272 0.000 1.043 63 N HN 0.471 nan 8.380 nan 0.000 0.553 64 I N -1.620 118.904 120.570 -0.077 0.000 4.033 64 I HA 0.056 4.226 4.170 -0.000 0.000 0.296 64 I C 1.060 177.178 176.117 0.002 0.000 1.210 64 I CA 0.424 61.691 61.300 -0.055 0.000 1.341 64 I CB 0.892 38.851 38.000 -0.068 0.000 1.369 64 I HN 0.140 nan 8.210 nan 0.000 0.453 65 T N 0.637 115.226 114.554 0.059 0.000 2.918 65 T HA 0.597 4.947 4.350 -0.000 0.000 0.286 65 T C -0.602 174.264 174.700 0.276 0.000 1.026 65 T CA -0.425 61.758 62.100 0.138 0.000 1.031 65 T CB 1.184 70.138 68.868 0.143 0.000 1.046 65 T HN 0.252 nan 8.240 nan 0.000 0.479 66 S N 1.397 117.196 115.700 0.165 0.000 2.546 66 S HA 0.869 5.338 4.470 -0.000 0.000 0.274 66 S C -1.178 173.293 174.600 -0.215 0.000 1.121 66 S CA -0.816 57.336 58.200 -0.081 0.000 0.887 66 S CB 1.714 64.846 63.200 -0.113 0.000 1.094 66 S HN 1.201 nan 8.310 nan 0.000 0.474 67 A N 2.442 124.879 122.820 -0.639 0.000 2.485 67 A HA 0.598 4.918 4.320 -0.000 0.000 0.285 67 A C -0.981 176.352 177.584 -0.418 0.000 1.045 67 A CA -0.645 51.166 52.037 -0.377 0.000 0.792 67 A CB 0.687 19.612 19.000 -0.125 0.000 1.307 67 A HN 0.887 nan 8.150 nan 0.000 0.406 68 L N 4.695 125.779 121.223 -0.231 0.000 2.410 68 L HA 0.330 4.670 4.340 -0.000 0.000 0.273 68 L C -1.677 175.116 176.870 -0.129 0.000 1.144 68 L CA -1.318 53.416 54.840 -0.177 0.000 0.863 68 L CB 1.032 43.023 42.059 -0.114 0.000 1.140 68 L HN 0.516 nan 8.230 nan 0.000 0.463 69 P HA 0.137 nan 4.420 nan 0.000 0.278 69 P C -0.128 177.106 177.300 -0.110 0.000 1.258 69 P CA -0.501 62.537 63.100 -0.103 0.000 0.811 69 P CB 1.362 33.000 31.700 -0.103 0.000 1.063 70 A N 1.122 123.850 122.820 -0.154 0.000 1.929 70 A HA 0.363 4.683 4.320 -0.000 0.000 0.216 70 A C 1.095 178.554 177.584 -0.209 0.000 1.176 70 A CA 1.676 53.602 52.037 -0.184 0.000 0.628 70 A CB -0.756 18.082 19.000 -0.270 0.000 0.816 70 A HN 0.777 nan 8.150 nan 0.000 0.444 71 A N -1.969 120.699 122.820 -0.253 0.000 2.609 71 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 71 A C -1.399 176.114 177.584 -0.119 0.000 1.096 71 A CA -0.358 51.574 52.037 -0.175 0.000 0.684 71 A CB 1.137 19.996 19.000 -0.234 0.000 1.282 71 A HN 0.514 nan 8.150 nan 0.000 0.412 72 V N 1.253 121.144 119.914 -0.038 0.000 2.483 72 V HA 0.479 4.599 4.120 -0.000 0.000 0.297 72 V C -0.734 175.347 176.094 -0.021 0.000 1.027 72 V CA -0.407 61.854 62.300 -0.066 0.000 0.855 72 V CB 1.330 33.110 31.823 -0.071 0.000 0.995 72 V HN 0.847 nan 8.190 nan 0.000 0.424 73 L N 5.483 126.659 121.223 -0.080 0.000 2.305 73 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 73 L C -0.992 175.811 176.870 -0.111 0.000 1.085 73 L CA 0.292 55.136 54.840 0.006 0.000 0.813 73 L CB 0.587 42.672 42.059 0.042 0.000 1.157 73 L HN 0.598 nan 8.230 nan 0.000 0.436 74 Y N 6.315 126.642 120.300 0.045 0.000 2.944 74 Y HA 0.377 4.926 4.550 -0.000 0.000 0.335 74 Y C -2.012 173.915 175.900 0.044 0.000 1.075 74 Y CA -2.291 55.836 58.100 0.045 0.000 1.240 74 Y CB 0.253 38.735 38.460 0.037 0.000 1.167 74 Y HN 0.526 nan 8.280 nan 0.000 0.555 75 P HA 0.052 nan 4.420 nan 0.000 0.276 75 P C 0.533 177.885 177.300 0.088 0.000 1.235 75 P CA 0.007 63.165 63.100 0.097 0.000 0.772 75 P CB 1.916 33.658 31.700 0.069 0.000 0.871 76 S N 1.483 117.226 115.700 0.073 0.000 2.478 76 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 76 S C 0.779 175.402 174.600 0.038 0.000 1.008 76 S CA 0.363 58.597 58.200 0.057 0.000 0.928 76 S CB -0.432 62.797 63.200 0.049 0.000 0.781 76 S HN 0.682 nan 8.310 nan 0.000 0.518 77 S N -0.033 115.687 115.700 0.034 0.000 2.625 77 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 77 S C 0.698 175.307 174.600 0.015 0.000 1.161 77 S CA -0.031 58.180 58.200 0.019 0.000 0.820 77 S CB 0.784 63.994 63.200 0.016 0.000 1.137 77 S HN 0.299 nan 8.310 nan 0.000 0.470 78 T N -1.450 113.105 114.554 0.002 0.000 2.881 78 T HA 0.061 4.411 4.350 -0.000 0.000 0.270 78 T C 2.034 176.735 174.700 0.001 0.000 1.068 78 T CA 1.602 63.697 62.100 -0.007 0.000 1.131 78 T CB -1.356 67.499 68.868 -0.022 0.000 0.871 78 T HN 1.121 nan 8.240 nan 0.000 0.479 79 G N 1.748 110.551 108.800 0.006 0.000 2.469 79 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 79 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 79 G C 1.335 176.247 174.900 0.020 0.000 1.136 79 G CA 1.021 46.127 45.100 0.011 0.000 0.759 79 G HN 0.488 nan 8.290 nan 0.000 0.562 80 D N 0.317 120.735 120.400 0.030 0.000 2.178 80 D HA -0.038 4.602 4.640 -0.000 0.000 0.202 80 D C 2.588 178.918 176.300 0.050 0.000 0.974 80 D CA 0.383 54.410 54.000 0.045 0.000 0.841 80 D CB -0.126 40.708 40.800 0.056 0.000 0.953 80 D HN 0.311 nan 8.370 nan 0.000 0.478 81 L N 0.369 121.617 121.223 0.042 0.000 2.072 81 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 81 L C 2.531 179.420 176.870 0.032 0.000 1.079 81 L CA 0.463 55.333 54.840 0.050 0.000 0.752 81 L CB -0.201 41.874 42.059 0.026 0.000 0.906 81 L HN -0.085 nan 8.230 nan 0.000 0.436 82 V N 0.193 120.114 119.914 0.012 0.000 2.332 82 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 82 V C 2.751 178.844 176.094 -0.001 0.000 1.055 82 V CA 1.909 64.210 62.300 0.002 0.000 1.038 82 V CB -0.981 30.841 31.823 -0.002 0.000 0.651 82 V HN 0.503 nan 8.190 nan 0.000 0.450 83 A N -0.183 122.644 122.820 0.011 0.000 1.877 83 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 83 A C 2.177 179.761 177.584 0.000 0.000 1.186 83 A CA 2.184 54.228 52.037 0.012 0.000 0.620 83 A CB -0.603 18.416 19.000 0.032 0.000 0.822 83 A HN 0.461 nan 8.150 nan 0.000 0.443 84 L N -0.260 120.977 121.223 0.022 0.000 1.994 84 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 84 L C 2.286 179.085 176.870 -0.118 0.000 1.071 84 L CA 1.872 56.723 54.840 0.018 0.000 0.745 84 L CB -0.525 41.593 42.059 0.097 0.000 0.892 84 L HN 0.389 nan 8.230 nan 0.000 0.431 85 L N -1.254 119.928 121.223 -0.069 0.000 2.141 85 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 85 L C 2.675 179.442 176.870 -0.171 0.000 1.094 85 L CA 1.236 56.007 54.840 -0.114 0.000 0.763 85 L CB -0.643 41.410 42.059 -0.010 0.000 0.908 85 L HN 0.363 nan 8.230 nan 0.000 0.437 86 S N -0.258 115.373 115.700 -0.116 0.000 2.368 86 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 86 S C 2.165 176.665 174.600 -0.166 0.000 1.029 86 S CA 1.162 59.301 58.200 -0.101 0.000 0.988 86 S CB -0.037 63.134 63.200 -0.048 0.000 0.838 86 S HN 0.431 nan 8.310 nan 0.000 0.462 87 A N 1.469 124.160 122.820 -0.215 0.000 1.877 87 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 87 A C 2.465 179.676 177.584 -0.622 0.000 1.186 87 A CA 1.897 53.774 52.037 -0.268 0.000 0.620 87 A CB -1.432 17.477 19.000 -0.151 0.000 0.822 87 A HN 0.733 nan 8.150 nan 0.000 0.443 88 A N 0.430 122.570 122.820 -1.133 0.000 1.908 88 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 88 A C 1.961 179.128 177.584 -0.695 0.000 1.181 88 A CA 2.286 53.310 52.037 -1.688 0.000 0.627 88 A CB -0.863 17.306 19.000 -1.385 0.000 0.818 88 A HN 0.716 nan 8.150 nan 0.000 0.445 89 N N 0.158 118.624 118.700 -0.390 0.000 2.142 89 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 89 N C 1.713 177.170 175.510 -0.088 0.000 1.023 89 N CA 2.352 55.300 53.050 -0.170 0.000 0.852 89 N CB -0.210 38.237 38.487 -0.066 0.000 0.998 89 N HN 0.445 nan 8.380 nan 0.000 0.424 90 S N -2.308 113.337 115.700 -0.093 0.000 2.524 90 S HA 0.114 4.584 4.470 -0.000 0.000 0.216 90 S C 0.318 174.922 174.600 0.007 0.000 0.987 90 S CA -0.204 57.979 58.200 -0.029 0.000 0.909 90 S CB -0.279 62.907 63.200 -0.023 0.000 0.781 90 S HN 0.120 nan 8.310 nan 0.000 0.521 91 T N 5.132 119.700 114.554 0.022 0.000 2.728 91 T HA 0.462 4.812 4.350 -0.000 0.000 0.296 91 T C -2.830 171.954 174.700 0.140 0.000 0.940 91 T CA -1.290 60.885 62.100 0.124 0.000 1.013 91 T CB 1.178 70.220 68.868 0.289 0.000 0.912 91 T HN 0.170 nan 8.240 nan 0.000 0.484 92 P HA 0.283 nan 4.420 nan 0.000 0.271 92 P C 0.941 178.292 177.300 0.085 0.000 1.216 92 P CA 0.305 63.452 63.100 0.078 0.000 0.771 92 P CB 0.409 32.138 31.700 0.048 0.000 0.864 93 G N 1.970 110.814 108.800 0.073 0.000 2.221 93 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.265 93 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.265 93 G C -0.085 174.831 174.900 0.028 0.000 1.041 93 G CA -0.501 44.618 45.100 0.032 0.000 0.807 93 G HN 0.648 nan 8.290 nan 0.000 0.502 94 W N 0.948 122.204 121.300 -0.073 0.000 2.397 94 W HA 0.312 4.972 4.660 -0.000 0.000 0.327 94 W C -1.096 175.324 176.519 -0.164 0.000 1.421 94 W CA -0.881 56.403 57.345 -0.101 0.000 1.288 94 W CB 0.798 30.230 29.460 -0.047 0.000 1.312 94 W HN 0.206 nan 8.180 nan 0.000 0.559 95 P HA -0.006 nan 4.420 nan 0.000 0.230 95 P C -0.925 175.919 177.300 -0.759 0.000 1.168 95 P CA 1.084 63.638 63.100 -0.910 0.000 0.793 95 P CB 0.186 31.125 31.700 -1.268 0.000 0.851 96 Y N 0.530 120.411 120.300 -0.698 0.000 2.335 96 Y HA 0.343 4.893 4.550 -0.000 0.000 0.338 96 Y C 1.237 177.228 175.900 0.152 0.000 0.977 96 Y CA -1.642 56.325 58.100 -0.222 0.000 1.114 96 Y CB 0.230 38.548 38.460 -0.237 0.000 1.182 96 Y HN -0.230 nan 8.280 nan 0.000 0.463 97 T N 0.971 115.671 114.554 0.244 0.000 2.856 97 T HA 0.602 4.952 4.350 -0.000 0.000 0.306 97 T C -0.216 174.565 174.700 0.134 0.000 1.062 97 T CA -0.353 61.852 62.100 0.174 0.000 1.083 97 T CB 0.539 69.465 68.868 0.096 0.000 0.984 97 T HN 0.452 nan 8.240 nan 0.000 0.542 98 I N 1.137 121.713 120.570 0.011 0.000 2.499 98 I HA 0.596 4.766 4.170 -0.000 0.000 0.288 98 I C 0.014 175.857 176.117 -0.456 0.000 1.048 98 I CA -1.083 60.121 61.300 -0.160 0.000 1.062 98 I CB 1.815 39.742 38.000 -0.121 0.000 1.238 98 I HN 0.951 nan 8.210 nan 0.000 0.426 99 A N 5.677 128.227 122.820 -0.450 0.000 2.337 99 A HA 0.883 5.202 4.320 -0.000 0.000 0.331 99 A C -1.240 175.982 177.584 -0.605 0.000 1.137 99 A CA -0.370 51.366 52.037 -0.502 0.000 0.807 99 A CB 0.723 19.632 19.000 -0.151 0.000 1.250 99 A HN 0.499 nan 8.150 nan 0.000 0.468 100 F N 1.060 121.028 119.950 0.029 0.000 2.325 100 F HA 0.443 4.970 4.527 -0.000 0.000 0.369 100 F C 0.737 176.550 175.800 0.022 0.000 1.095 100 F CA -0.424 57.586 58.000 0.016 0.000 1.082 100 F CB 1.091 40.098 39.000 0.011 0.000 1.289 100 F HN 0.615 nan 8.300 nan 0.000 0.462 101 R N 1.747 122.330 120.500 0.138 0.000 2.296 101 R HA 0.351 4.691 4.340 -0.000 0.000 0.323 101 R C 1.052 177.416 176.300 0.107 0.000 1.067 101 R CA 0.147 56.312 56.100 0.108 0.000 0.946 101 R CB 0.577 30.924 30.300 0.078 0.000 0.991 101 R HN 0.880 nan 8.270 nan 0.000 0.448 102 G N 3.226 112.091 108.800 0.109 0.000 2.654 102 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 102 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 102 G C 0.712 175.660 174.900 0.080 0.000 1.310 102 G CA 0.142 45.291 45.100 0.081 0.000 0.866 102 G HN 0.488 nan 8.290 nan 0.000 0.558 103 R N -0.005 120.571 120.500 0.127 0.000 2.572 103 R HA 0.246 4.586 4.340 -0.000 0.000 0.370 103 R C 1.062 177.507 176.300 0.242 0.000 1.005 103 R CA 0.198 56.419 56.100 0.201 0.000 1.146 103 R CB 0.352 30.782 30.300 0.216 0.000 1.390 103 R HN 0.666 nan 8.270 nan 0.000 0.553 104 G N 1.435 110.342 108.800 0.177 0.000 2.273 104 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.280 104 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.280 104 G C 0.526 175.481 174.900 0.092 0.000 1.047 104 G CA 0.375 45.554 45.100 0.133 0.000 0.869 104 G HN 0.465 nan 8.290 nan 0.000 0.502 105 H N -0.029 119.089 119.070 0.079 0.000 2.547 105 H HA 0.155 4.711 4.556 -0.000 0.000 0.266 105 H C 1.578 176.885 175.328 -0.036 0.000 0.988 105 H CA 0.875 56.920 56.048 -0.004 0.000 1.147 105 H CB 0.337 30.055 29.762 -0.074 0.000 1.365 105 H HN 0.462 nan 8.280 nan 0.000 0.589 106 S N 0.397 116.118 115.700 0.036 0.000 2.559 106 S HA -0.029 4.440 4.470 -0.000 0.000 0.282 106 S C 1.671 176.235 174.600 -0.061 0.000 1.336 106 S CA -0.181 57.994 58.200 -0.042 0.000 1.037 106 S CB 0.805 63.928 63.200 -0.128 0.000 0.853 106 S HN 0.306 nan 8.310 nan 0.000 0.523 107 L N 1.253 122.429 121.223 -0.079 0.000 2.408 107 L HA 0.244 4.583 4.340 -0.000 0.000 0.215 107 L C 0.964 177.764 176.870 -0.118 0.000 1.081 107 L CA 0.668 55.453 54.840 -0.092 0.000 0.840 107 L CB 0.017 42.041 42.059 -0.059 0.000 1.002 107 L HN 0.497 nan 8.230 nan 0.000 0.468 108 M N -0.207 119.307 119.600 -0.144 0.000 3.637 108 M HA 0.336 4.816 4.480 -0.000 0.000 0.452 108 M C 0.658 176.832 176.300 -0.211 0.000 1.718 108 M CA 0.074 55.295 55.300 -0.132 0.000 0.690 108 M CB 0.509 33.059 32.600 -0.085 0.000 1.448 108 M HN 0.210 nan 8.290 nan 0.000 0.524 109 G N 0.773 109.280 108.800 -0.488 0.000 2.143 109 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.249 109 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.249 109 G C 0.699 175.212 174.900 -0.646 0.000 0.981 109 G CA 0.638 45.153 45.100 -0.975 0.000 0.665 109 G HN 0.460 nan 8.290 nan 0.000 0.528 110 Q N -0.172 119.404 119.800 -0.373 0.000 2.291 110 Q HA 0.327 4.667 4.340 -0.000 0.000 0.206 110 Q C 2.635 178.552 176.000 -0.138 0.000 0.976 110 Q CA 1.942 57.648 55.803 -0.162 0.000 0.875 110 Q CB -0.096 28.599 28.738 -0.073 0.000 0.927 110 Q HN 1.011 nan 8.270 nan 0.000 0.450 111 A N -0.722 121.955 122.820 -0.239 0.000 2.423 111 A HA 0.213 4.533 4.320 -0.000 0.000 0.246 111 A C -0.460 177.176 177.584 0.086 0.000 1.278 111 A CA -0.333 51.664 52.037 -0.067 0.000 0.903 111 A CB 0.168 19.161 19.000 -0.012 0.000 0.997 111 A HN 0.081 nan 8.150 nan 0.000 0.510 112 F N -0.230 119.718 119.950 -0.004 0.000 2.371 112 F HA 0.601 5.128 4.527 -0.000 0.000 0.329 112 F C 0.710 176.491 175.800 -0.032 0.000 1.107 112 F CA -1.744 56.246 58.000 -0.017 0.000 1.137 112 F CB 1.308 40.306 39.000 -0.005 0.000 1.214 112 F HN 0.072 nan 8.300 nan 0.000 0.536 113 A N 3.479 126.395 122.820 0.159 0.000 2.709 113 A HA 0.598 4.918 4.320 -0.000 0.000 0.332 113 A C -2.757 174.853 177.584 0.043 0.000 1.241 113 A CA -1.615 50.461 52.037 0.064 0.000 0.782 113 A CB -0.072 18.925 19.000 -0.005 0.000 1.109 113 A HN 0.367 nan 8.150 nan 0.000 0.472 114 P HA 0.234 nan 4.420 nan 0.000 0.261 114 P C 1.145 178.462 177.300 0.028 0.000 1.203 114 P CA 1.766 64.884 63.100 0.030 0.000 0.767 114 P CB 0.664 32.399 31.700 0.057 0.000 0.785 115 G N 2.621 111.423 108.800 0.003 0.000 2.203 115 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.263 115 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.263 115 G C 0.558 175.503 174.900 0.074 0.000 1.012 115 G CA 0.119 45.236 45.100 0.028 0.000 0.749 115 G HN 0.838 nan 8.290 nan 0.000 0.512 116 G N -2.051 106.752 108.800 0.004 0.000 3.212 116 G HA2 0.722 4.682 3.960 -0.000 0.000 0.188 116 G HA3 0.722 4.682 3.960 -0.000 0.000 0.188 116 G C -0.723 174.046 174.900 -0.217 0.000 1.254 116 G CA 0.013 45.110 45.100 -0.005 0.000 0.957 116 G HN 0.887 nan 8.290 nan 0.000 0.596 117 V N 0.570 120.398 119.914 -0.143 0.000 2.384 117 V HA 0.438 4.558 4.120 -0.000 0.000 0.287 117 V C -0.214 175.819 176.094 -0.102 0.000 1.020 117 V CA -0.607 61.601 62.300 -0.154 0.000 0.850 117 V CB 1.279 33.055 31.823 -0.078 0.000 0.987 117 V HN 0.411 nan 8.190 nan 0.000 0.436 118 V N 5.819 125.672 119.914 -0.101 0.000 2.465 118 V HA 0.308 4.428 4.120 -0.000 0.000 0.279 118 V C 0.149 176.186 176.094 -0.096 0.000 1.045 118 V CA -0.483 61.764 62.300 -0.089 0.000 0.938 118 V CB 1.799 33.591 31.823 -0.052 0.000 0.986 118 V HN 0.621 nan 8.190 nan 0.000 0.467 119 V N 5.125 125.002 119.914 -0.061 0.000 2.408 119 V HA 0.183 4.303 4.120 -0.000 0.000 0.267 119 V C 0.839 176.906 176.094 -0.046 0.000 1.047 119 V CA -0.461 61.836 62.300 -0.005 0.000 0.937 119 V CB 1.061 32.999 31.823 0.191 0.000 0.999 119 V HN 0.902 nan 8.190 nan 0.000 0.472 120 N N 5.827 124.406 118.700 -0.201 0.000 2.549 120 N HA 0.044 4.784 4.740 -0.000 0.000 0.267 120 N C 1.180 176.647 175.510 -0.071 0.000 1.182 120 N CA -0.453 52.464 53.050 -0.222 0.000 1.019 120 N CB 0.549 38.664 38.487 -0.620 0.000 1.380 120 N HN 0.580 nan 8.380 nan 0.000 0.505 121 M N 1.630 121.235 119.600 0.009 0.000 2.149 121 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 121 M C 2.141 178.454 176.300 0.022 0.000 1.064 121 M CA 0.920 56.238 55.300 0.030 0.000 1.102 121 M CB -1.329 31.297 32.600 0.044 0.000 1.369 121 M HN 0.551 nan 8.290 nan 0.000 0.408 122 A N -0.194 122.645 122.820 0.031 0.000 2.032 122 A HA -0.150 4.170 4.320 -0.000 0.000 0.221 122 A C 2.419 180.043 177.584 0.065 0.000 1.165 122 A CA 2.043 54.108 52.037 0.047 0.000 0.645 122 A CB -0.806 18.242 19.000 0.079 0.000 0.807 122 A HN 0.516 nan 8.150 nan 0.000 0.453 123 S N -0.203 115.548 115.700 0.084 0.000 2.419 123 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 123 S C 1.599 176.243 174.600 0.074 0.000 1.019 123 S CA 1.262 59.532 58.200 0.116 0.000 0.982 123 S CB -0.427 62.877 63.200 0.173 0.000 0.789 123 S HN 0.585 nan 8.310 nan 0.000 0.490 124 L N 0.556 121.806 121.223 0.045 0.000 2.265 124 L HA -0.035 4.305 4.340 -0.000 0.000 0.215 124 L C 2.192 179.071 176.870 0.016 0.000 1.117 124 L CA 0.952 55.806 54.840 0.024 0.000 0.782 124 L CB -0.502 41.559 42.059 0.003 0.000 0.914 124 L HN 0.392 nan 8.230 nan 0.000 0.441 125 G N -1.934 106.878 108.800 0.020 0.000 3.337 125 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.246 125 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.246 125 G C 0.712 175.627 174.900 0.026 0.000 1.131 125 G CA -0.214 44.894 45.100 0.013 0.000 0.773 125 G HN 0.131 nan 8.290 nan 0.000 0.544 126 D N 1.602 122.025 120.400 0.039 0.000 2.097 126 D HA 0.046 4.686 4.640 -0.000 0.000 0.197 126 D C 1.964 178.282 176.300 0.030 0.000 0.984 126 D CA 0.784 54.810 54.000 0.043 0.000 0.826 126 D CB -0.048 40.785 40.800 0.055 0.000 0.973 126 D HN 0.303 nan 8.370 nan 0.000 0.460 127 A N 0.218 123.053 122.820 0.025 0.000 2.462 127 A HA 0.426 4.745 4.320 -0.000 0.000 0.243 127 A C 1.385 178.977 177.584 0.013 0.000 1.076 127 A CA 0.499 52.546 52.037 0.018 0.000 0.773 127 A CB 0.652 19.662 19.000 0.016 0.000 1.010 127 A HN 0.164 nan 8.150 nan 0.000 0.493 128 A N 2.061 124.887 122.820 0.011 0.000 1.930 128 A HA 0.402 4.722 4.320 -0.000 0.000 0.217 128 A C 1.266 178.853 177.584 0.004 0.000 1.175 128 A CA 1.748 53.789 52.037 0.007 0.000 0.627 128 A CB -0.337 18.668 19.000 0.007 0.000 0.815 128 A HN 2.088 nan 8.150 nan 0.000 0.443 129 A N -0.045 122.777 122.820 0.004 0.000 2.414 129 A HA 0.659 4.979 4.320 -0.000 0.000 0.306 129 A C -2.734 174.852 177.584 0.003 0.000 1.054 129 A CA -1.398 50.640 52.037 0.002 0.000 0.724 129 A CB 0.745 19.746 19.000 0.002 0.000 1.267 129 A HN 0.220 nan 8.150 nan 0.000 0.418 130 P HA 0.533 nan 4.420 nan 0.000 0.278 130 P C -2.758 174.540 177.300 -0.004 0.000 1.258 130 P CA -1.289 61.810 63.100 -0.002 0.000 0.811 130 P CB -0.081 31.617 31.700 -0.002 0.000 1.063 131 P HA 0.135 nan 4.420 nan 0.000 0.269 131 P C 0.360 177.651 177.300 -0.014 0.000 1.209 131 P CA -0.110 62.984 63.100 -0.009 0.000 0.776 131 P CB 0.797 32.491 31.700 -0.009 0.000 0.876 132 R N 1.338 121.826 120.500 -0.021 0.000 2.334 132 R HA 0.331 4.671 4.340 -0.000 0.000 0.216 132 R C 0.343 176.616 176.300 -0.045 0.000 0.905 132 R CA 0.027 56.107 56.100 -0.033 0.000 1.064 132 R CB -0.040 30.238 30.300 -0.038 0.000 1.046 132 R HN 0.527 nan 8.270 nan 0.000 0.508 133 I N 1.902 122.451 120.570 -0.035 0.000 2.468 133 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 133 I C -0.888 175.218 176.117 -0.018 0.000 1.039 133 I CA -0.632 60.646 61.300 -0.037 0.000 1.074 133 I CB 1.815 39.788 38.000 -0.044 0.000 1.228 133 I HN -0.210 nan 8.210 nan 0.000 0.436 134 N N 6.162 124.859 118.700 -0.005 0.000 2.483 134 N HA 0.316 5.055 4.740 -0.000 0.000 0.267 134 N C -0.557 174.951 175.510 -0.004 0.000 0.998 134 N CA -0.433 52.617 53.050 -0.000 0.000 0.918 134 N CB 2.674 41.171 38.487 0.015 0.000 1.215 134 N HN 0.167 nan 8.380 nan 0.000 0.500 135 V N 1.739 121.632 119.914 -0.036 0.000 2.572 135 V HA 0.042 4.161 4.120 -0.000 0.000 0.291 135 V C 1.236 177.226 176.094 -0.175 0.000 1.039 135 V CA -0.441 61.808 62.300 -0.085 0.000 1.055 135 V CB 0.645 32.429 31.823 -0.065 0.000 0.969 135 V HN 0.766 nan 8.190 nan 0.000 0.482 136 S N 4.601 120.061 115.700 -0.399 0.000 2.569 136 S HA 0.253 4.723 4.470 -0.000 0.000 0.274 136 S C 1.451 175.862 174.600 -0.315 0.000 1.353 136 S CA 0.040 57.887 58.200 -0.588 0.000 1.023 136 S CB 1.108 63.416 63.200 -1.486 0.000 0.876 136 S HN 1.138 nan 8.310 nan 0.000 0.540 137 A N 1.840 124.527 122.820 -0.222 0.000 1.917 137 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 137 A C 1.750 179.260 177.584 -0.122 0.000 1.182 137 A CA 1.850 53.810 52.037 -0.127 0.000 0.633 137 A CB -1.065 17.887 19.000 -0.079 0.000 0.819 137 A HN 1.015 nan 8.150 nan 0.000 0.448 138 D N -2.257 118.052 120.400 -0.151 0.000 2.339 138 D HA 0.262 4.902 4.640 -0.000 0.000 0.217 138 D C 1.138 177.366 176.300 -0.120 0.000 1.050 138 D CA 0.839 54.774 54.000 -0.109 0.000 0.856 138 D CB -0.748 40.006 40.800 -0.077 0.000 0.922 138 D HN 0.856 nan 8.370 nan 0.000 0.518 139 G N 1.030 109.725 108.800 -0.177 0.000 2.160 139 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.251 139 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.251 139 G C 1.057 175.884 174.900 -0.122 0.000 1.008 139 G CA 0.338 45.352 45.100 -0.143 0.000 0.724 139 G HN 0.447 nan 8.290 nan 0.000 0.514 140 R N -1.180 119.225 120.500 -0.158 0.000 2.280 140 R HA 0.321 4.660 4.340 -0.000 0.000 0.195 140 R C 0.766 177.098 176.300 0.052 0.000 0.935 140 R CA 1.208 57.283 56.100 -0.041 0.000 1.033 140 R CB 0.240 30.548 30.300 0.014 0.000 0.964 140 R HN 0.799 nan 8.270 nan 0.000 0.489 141 Y N -4.494 115.796 120.300 -0.016 0.000 2.670 141 Y HA 0.598 5.148 4.550 -0.000 0.000 0.334 141 Y C -1.422 174.466 175.900 -0.019 0.000 1.185 141 Y CA -1.672 56.416 58.100 -0.020 0.000 1.053 141 Y CB 1.150 39.597 38.460 -0.021 0.000 1.298 141 Y HN -0.323 nan 8.280 nan 0.000 0.459 142 V N 2.194 122.268 119.914 0.267 0.000 2.577 142 V HA 0.458 4.578 4.120 -0.000 0.000 0.303 142 V C -1.488 174.713 176.094 0.178 0.000 1.042 142 V CA -0.503 61.892 62.300 0.159 0.000 0.872 142 V CB 1.502 33.355 31.823 0.051 0.000 0.998 142 V HN 0.859 nan 8.190 nan 0.000 0.423 143 D N 5.469 125.972 120.400 0.173 0.000 2.277 143 D HA 0.682 5.322 4.640 -0.000 0.000 0.249 143 D C -0.034 176.256 176.300 -0.016 0.000 1.134 143 D CA 0.469 54.511 54.000 0.071 0.000 0.863 143 D CB 1.808 42.663 40.800 0.092 0.000 1.143 143 D HN 0.875 nan 8.370 nan 0.000 0.458 144 A N 1.830 124.602 122.820 -0.080 0.000 2.393 144 A HA 0.689 5.009 4.320 -0.000 0.000 0.306 144 A C 0.459 177.958 177.584 -0.141 0.000 1.050 144 A CA -0.729 51.225 52.037 -0.139 0.000 0.724 144 A CB 1.425 20.273 19.000 -0.253 0.000 1.248 144 A HN 0.470 nan 8.150 nan 0.000 0.424 145 G N 0.542 109.268 108.800 -0.123 0.000 2.484 145 G HA2 0.385 4.345 3.960 -0.000 0.000 0.235 145 G HA3 0.385 4.345 3.960 -0.000 0.000 0.235 145 G C 1.107 175.920 174.900 -0.146 0.000 1.282 145 G CA 0.244 45.278 45.100 -0.111 0.000 0.857 145 G HN 1.444 nan 8.290 nan 0.000 0.571 146 G N 0.894 109.618 108.800 -0.126 0.000 2.462 146 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 146 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 146 G C 1.448 176.276 174.900 -0.120 0.000 1.121 146 G CA 1.188 46.211 45.100 -0.129 0.000 0.758 146 G HN 0.726 nan 8.290 nan 0.000 0.559 147 E N 0.425 120.565 120.200 -0.101 0.000 2.371 147 E HA -0.016 4.333 4.350 -0.000 0.000 0.194 147 E C 0.568 177.098 176.600 -0.117 0.000 1.012 147 E CA 0.110 56.463 56.400 -0.079 0.000 0.860 147 E CB -0.256 29.418 29.700 -0.043 0.000 0.811 147 E HN 0.267 nan 8.360 nan 0.000 0.502 148 Q N 1.640 121.344 119.800 -0.160 0.000 2.364 148 Q HA 0.170 4.510 4.340 -0.000 0.000 0.267 148 Q C 0.333 176.174 176.000 -0.266 0.000 0.999 148 Q CA -0.069 55.621 55.803 -0.188 0.000 0.886 148 Q CB 1.672 30.291 28.738 -0.199 0.000 1.243 148 Q HN 0.176 nan 8.270 nan 0.000 0.415 149 V N -0.855 118.923 119.914 -0.226 0.000 2.686 149 V HA 0.202 4.322 4.120 -0.000 0.000 0.295 149 V C 0.683 176.698 176.094 -0.131 0.000 1.057 149 V CA -0.733 61.431 62.300 -0.228 0.000 1.012 149 V CB 0.697 32.314 31.823 -0.343 0.000 1.006 149 V HN 0.870 nan 8.190 nan 0.000 0.477 150 W N 1.758 123.043 121.300 -0.024 0.000 2.392 150 W HA -0.055 4.605 4.660 -0.000 0.000 0.279 150 W C 2.027 178.609 176.519 0.104 0.000 1.225 150 W CA 1.254 58.655 57.345 0.093 0.000 1.233 150 W CB -0.213 29.357 29.460 0.184 0.000 1.122 150 W HN 0.664 nan 8.180 nan 0.000 0.561 151 I N 0.723 121.408 120.570 0.191 0.000 2.226 151 I HA -0.292 3.877 4.170 -0.000 0.000 0.245 151 I C 1.736 177.879 176.117 0.043 0.000 1.100 151 I CA 1.956 63.288 61.300 0.053 0.000 1.374 151 I CB -0.543 37.439 38.000 -0.030 0.000 1.057 151 I HN -0.157 nan 8.210 nan 0.000 0.413 152 D N -0.250 120.171 120.400 0.034 0.000 2.183 152 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 152 D C 2.428 178.740 176.300 0.020 0.000 0.969 152 D CA 1.256 55.261 54.000 0.009 0.000 0.842 152 D CB -0.233 40.559 40.800 -0.014 0.000 0.957 152 D HN 0.281 nan 8.370 nan 0.000 0.484 153 V N 1.306 121.238 119.914 0.029 0.000 2.343 153 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 153 V C 2.489 178.686 176.094 0.171 0.000 1.051 153 V CA 1.081 63.410 62.300 0.048 0.000 1.036 153 V CB -0.472 31.329 31.823 -0.036 0.000 0.654 153 V HN 0.140 nan 8.190 nan 0.000 0.451 154 L N 0.307 121.697 121.223 0.277 0.000 1.989 154 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 154 L C 2.598 179.538 176.870 0.118 0.000 1.071 154 L CA 1.982 56.986 54.840 0.274 0.000 0.749 154 L CB -0.663 41.467 42.059 0.118 0.000 0.890 154 L HN 0.157 nan 8.230 nan 0.000 0.431 155 R N -0.563 119.969 120.500 0.053 0.000 2.091 155 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 155 R C 2.252 178.568 176.300 0.027 0.000 1.136 155 R CA 1.411 57.521 56.100 0.018 0.000 0.959 155 R CB -0.701 29.595 30.300 -0.006 0.000 0.856 155 R HN 0.566 nan 8.270 nan 0.000 0.437 156 A N 0.346 123.184 122.820 0.031 0.000 1.930 156 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 156 A C 2.193 179.796 177.584 0.031 0.000 1.175 156 A CA 1.621 53.671 52.037 0.021 0.000 0.627 156 A CB -0.327 18.678 19.000 0.008 0.000 0.815 156 A HN 0.226 nan 8.150 nan 0.000 0.443 157 S N -0.012 115.726 115.700 0.063 0.000 2.355 157 S HA -0.061 4.409 4.470 -0.000 0.000 0.222 157 S C 1.795 176.437 174.600 0.070 0.000 1.031 157 S CA 1.361 59.605 58.200 0.074 0.000 0.993 157 S CB -0.448 62.831 63.200 0.132 0.000 0.859 157 S HN 0.515 nan 8.310 nan 0.000 0.453 158 L N 1.241 122.513 121.223 0.081 0.000 2.131 158 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 158 L C 2.674 179.565 176.870 0.035 0.000 1.092 158 L CA 0.996 55.876 54.840 0.067 0.000 0.759 158 L CB -0.673 41.423 42.059 0.062 0.000 0.903 158 L HN 0.321 nan 8.230 nan 0.000 0.435 159 A N -0.500 122.334 122.820 0.024 0.000 2.070 159 A HA -0.128 4.191 4.320 -0.000 0.000 0.220 159 A C 2.097 179.684 177.584 0.005 0.000 1.159 159 A CA 1.203 53.246 52.037 0.010 0.000 0.656 159 A CB -0.232 18.771 19.000 0.005 0.000 0.800 159 A HN 0.265 nan 8.150 nan 0.000 0.453 160 R N -1.522 118.982 120.500 0.007 0.000 2.468 160 R HA 0.210 4.550 4.340 -0.000 0.000 0.280 160 R C 1.047 177.347 176.300 0.000 0.000 0.963 160 R CA 0.622 56.720 56.100 -0.004 0.000 1.083 160 R CB -0.150 30.139 30.300 -0.017 0.000 1.200 160 R HN 0.730 nan 8.270 nan 0.000 0.541 161 G N 1.169 109.977 108.800 0.013 0.000 2.148 161 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 161 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 161 G C 0.242 175.156 174.900 0.023 0.000 0.981 161 G CA 0.588 45.697 45.100 0.014 0.000 0.670 161 G HN 0.295 nan 8.290 nan 0.000 0.528 162 V N -3.856 116.082 119.914 0.040 0.000 3.155 162 V HA 1.071 5.191 4.120 -0.000 0.000 0.313 162 V C 0.024 176.190 176.094 0.120 0.000 1.162 162 V CA -0.506 61.826 62.300 0.054 0.000 1.048 162 V CB 1.937 33.773 31.823 0.022 0.000 1.092 162 V HN 2.088 nan 8.190 nan 0.000 0.447 163 A N 1.132 124.042 122.820 0.149 0.000 2.577 163 A HA 0.886 5.205 4.320 -0.000 0.000 0.297 163 A C -3.317 174.371 177.584 0.174 0.000 1.060 163 A CA -1.413 50.790 52.037 0.277 0.000 0.697 163 A CB 1.419 20.722 19.000 0.505 0.000 1.281 163 A HN 0.719 nan 8.150 nan 0.000 0.402 164 P HA 0.098 nan 4.420 nan 0.000 0.267 164 P C 0.369 177.469 177.300 -0.333 0.000 1.195 164 P CA 0.225 63.162 63.100 -0.273 0.000 0.773 164 P CB 0.417 31.697 31.700 -0.699 0.000 0.837 165 R N 0.029 120.274 120.500 -0.425 0.000 2.223 165 R HA 0.174 4.514 4.340 -0.000 0.000 0.198 165 R C 0.623 176.646 176.300 -0.462 0.000 0.984 165 R CA 0.489 56.307 56.100 -0.470 0.000 1.018 165 R CB 0.183 29.978 30.300 -0.842 0.000 0.945 165 R HN 0.327 nan 8.270 nan 0.000 0.479 166 S N -0.019 115.293 115.700 -0.648 0.000 2.594 166 S HA 0.448 4.918 4.470 -0.000 0.000 0.296 166 S C -1.666 172.475 174.600 -0.766 0.000 1.124 166 S CA -0.841 57.067 58.200 -0.486 0.000 1.011 166 S CB 0.660 63.650 63.200 -0.350 0.000 1.016 166 S HN 0.221 nan 8.310 nan 0.000 0.485 167 W N 1.445 122.619 121.300 -0.209 0.000 2.958 167 W HA 0.607 5.267 4.660 -0.000 0.000 0.339 167 W C 0.343 176.703 176.519 -0.265 0.000 1.174 167 W CA -0.720 56.439 57.345 -0.309 0.000 1.064 167 W CB 0.928 30.283 29.460 -0.175 0.000 1.471 167 W HN 0.636 nan 8.180 nan 0.000 0.599 168 T N -2.420 112.158 114.554 0.040 0.000 2.952 168 T HA 0.239 4.589 4.350 -0.000 0.000 0.286 168 T C 0.256 175.022 174.700 0.111 0.000 1.024 168 T CA -0.630 61.514 62.100 0.073 0.000 1.029 168 T CB 1.498 70.385 68.868 0.031 0.000 1.094 168 T HN 0.299 nan 8.240 nan 0.000 0.515 169 D N -0.614 119.873 120.400 0.144 0.000 2.218 169 D HA -0.018 4.622 4.640 -0.000 0.000 0.204 169 D C -0.089 176.267 176.300 0.095 0.000 0.976 169 D CA 1.527 55.589 54.000 0.103 0.000 0.853 169 D CB -0.095 40.796 40.800 0.152 0.000 0.939 169 D HN 0.627 nan 8.370 nan 0.000 0.481 170 Y N 0.216 120.519 120.300 0.006 0.000 2.350 170 Y HA 0.302 4.852 4.550 -0.000 0.000 0.338 170 Y C 0.380 176.292 175.900 0.019 0.000 0.961 170 Y CA -0.689 57.422 58.100 0.018 0.000 1.100 170 Y CB 1.133 39.632 38.460 0.066 0.000 1.179 170 Y HN -0.296 nan 8.280 nan 0.000 0.454 171 L N 5.464 126.462 121.223 -0.374 0.000 2.529 171 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 171 L C 0.124 176.930 176.870 -0.106 0.000 1.113 171 L CA 0.175 54.922 54.840 -0.155 0.000 0.861 171 L CB 0.103 42.065 42.059 -0.162 0.000 1.012 171 L HN 0.628 nan 8.230 nan 0.000 0.461 172 Y N 2.365 122.322 120.300 -0.571 0.000 2.830 172 Y HA 0.394 4.944 4.550 -0.000 0.000 0.371 172 Y C -0.315 175.603 175.900 0.029 0.000 1.246 172 Y CA -0.268 57.697 58.100 -0.225 0.000 1.890 172 Y CB -0.531 37.816 38.460 -0.188 0.000 1.995 172 Y HN -0.052 nan 8.280 nan 0.000 0.430 173 L N 1.195 122.410 121.223 -0.014 0.000 2.393 173 L HA 0.484 4.824 4.340 -0.000 0.000 0.260 173 L C 0.174 177.120 176.870 0.127 0.000 1.002 173 L CA -1.248 53.642 54.840 0.084 0.000 0.818 173 L CB 2.365 44.552 42.059 0.213 0.000 1.369 173 L HN 0.190 nan 8.230 nan 0.000 0.412 174 T N -1.915 112.679 114.554 0.066 0.000 2.882 174 T HA 0.287 4.637 4.350 -0.000 0.000 0.287 174 T C 1.177 175.887 174.700 0.017 0.000 1.014 174 T CA -0.750 61.327 62.100 -0.038 0.000 1.049 174 T CB 1.648 70.488 68.868 -0.047 0.000 1.001 174 T HN 0.253 nan 8.240 nan 0.000 0.525 175 V N 2.777 122.503 119.914 -0.314 0.000 2.287 175 V HA -0.065 4.055 4.120 -0.000 0.000 0.248 175 V C 2.893 178.993 176.094 0.011 0.000 1.053 175 V CA 2.477 64.574 62.300 -0.339 0.000 1.027 175 V CB -1.519 29.955 31.823 -0.581 0.000 0.646 175 V HN 1.126 nan 8.190 nan 0.000 0.447 176 G N -0.351 108.430 108.800 -0.032 0.000 2.422 176 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 176 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 176 G C 1.591 176.544 174.900 0.087 0.000 1.146 176 G CA 0.926 46.032 45.100 0.010 0.000 0.769 176 G HN 0.595 nan 8.290 nan 0.000 0.547 177 G N 0.606 109.476 108.800 0.116 0.000 2.404 177 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 177 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 177 G C 2.024 177.042 174.900 0.197 0.000 1.174 177 G CA 2.180 47.370 45.100 0.151 0.000 0.780 177 G HN 0.559 nan 8.290 nan 0.000 0.537 178 T N -0.248 114.470 114.554 0.274 0.000 2.857 178 T HA 0.079 4.428 4.350 -0.000 0.000 0.266 178 T C 2.411 177.263 174.700 0.254 0.000 1.048 178 T CA 0.817 63.087 62.100 0.284 0.000 1.139 178 T CB -0.281 68.777 68.868 0.316 0.000 0.874 178 T HN 0.162 nan 8.240 nan 0.000 0.455 179 L N 1.061 122.429 121.223 0.241 0.000 2.291 179 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 179 L C 2.738 179.700 176.870 0.153 0.000 1.120 179 L CA 0.800 55.740 54.840 0.167 0.000 0.799 179 L CB -0.483 41.648 42.059 0.120 0.000 0.925 179 L HN 0.303 nan 8.230 nan 0.000 0.446 180 S N -0.526 115.276 115.700 0.171 0.000 2.561 180 S HA -0.004 4.465 4.470 -0.000 0.000 0.225 180 S C 1.378 176.133 174.600 0.258 0.000 0.977 180 S CA 0.466 58.783 58.200 0.194 0.000 0.926 180 S CB -0.065 63.237 63.200 0.170 0.000 0.769 180 S HN 0.479 nan 8.310 nan 0.000 0.533 181 N N 0.068 118.939 118.700 0.285 0.000 2.905 181 N HA 0.361 5.101 4.740 -0.000 0.000 0.237 181 N C 1.109 176.947 175.510 0.547 0.000 1.017 181 N CA 1.001 54.286 53.050 0.393 0.000 1.127 181 N CB 0.442 39.102 38.487 0.288 0.000 1.608 181 N HN 0.330 nan 8.380 nan 0.000 0.522 182 A N -0.550 122.562 122.820 0.487 0.000 1.920 182 A HA 0.401 4.721 4.320 -0.000 0.000 0.204 182 A C 0.171 177.857 177.584 0.169 0.000 1.850 182 A CA 0.829 53.066 52.037 0.333 0.000 1.593 182 A CB -0.298 18.977 19.000 0.458 0.000 1.470 182 A HN 0.532 nan 8.150 nan 0.000 0.377 183 G N 0.673 109.649 108.800 0.292 0.000 2.940 183 G HA2 0.211 4.171 3.960 -0.000 0.000 0.273 183 G HA3 0.211 4.171 3.960 -0.000 0.000 0.273 183 G C -0.327 174.615 174.900 0.070 0.000 1.030 183 G CA 0.174 45.352 45.100 0.131 0.000 1.066 183 G HN 1.973 nan 8.290 nan 0.000 0.466 184 I N -0.991 119.701 120.570 0.203 0.000 2.569 184 I HA 0.975 5.144 4.170 -0.000 0.000 0.296 184 I C 0.008 176.276 176.117 0.251 0.000 1.028 184 I CA -0.824 60.609 61.300 0.221 0.000 1.082 184 I CB 2.402 40.606 38.000 0.340 0.000 1.264 184 I HN 0.542 nan 8.210 nan 0.000 0.429 185 S N 2.434 118.267 115.700 0.222 0.000 2.800 185 S HA 0.560 5.030 4.470 -0.000 0.000 0.293 185 S C 0.721 175.283 174.600 -0.062 0.000 1.209 185 S CA -0.018 58.275 58.200 0.156 0.000 0.884 185 S CB 0.820 64.142 63.200 0.204 0.000 1.244 185 S HN 1.003 nan 8.310 nan 0.000 0.540 186 G N 0.257 108.853 108.800 -0.340 0.000 2.625 186 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.214 186 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.214 186 G C 0.679 175.514 174.900 -0.108 0.000 1.132 186 G CA 0.675 45.312 45.100 -0.771 0.000 0.782 186 G HN 0.552 nan 8.290 nan 0.000 0.538 187 Q N 0.192 120.043 119.800 0.084 0.000 2.424 187 Q HA 0.408 4.748 4.340 -0.000 0.000 0.204 187 Q C 2.555 178.441 176.000 -0.190 0.000 0.933 187 Q CA 0.718 56.536 55.803 0.025 0.000 0.929 187 Q CB -0.010 28.831 28.738 0.172 0.000 1.037 187 Q HN 0.354 nan 8.270 nan 0.000 0.511 188 A N 0.771 123.553 122.820 -0.063 0.000 2.019 188 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 188 A C 1.812 179.296 177.584 -0.167 0.000 1.164 188 A CA 1.229 53.205 52.037 -0.102 0.000 0.644 188 A CB -0.950 18.070 19.000 0.033 0.000 0.805 188 A HN 0.586 nan 8.150 nan 0.000 0.449 189 F N 1.407 121.252 119.950 -0.176 0.000 2.202 189 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 189 F C 1.965 177.396 175.800 -0.614 0.000 1.082 189 F CA 1.570 59.402 58.000 -0.280 0.000 1.313 189 F CB -0.333 38.516 39.000 -0.251 0.000 1.024 189 F HN 0.331 nan 8.300 nan 0.000 0.495 190 R N -1.538 117.951 120.500 -1.684 0.000 2.316 190 R HA 0.172 4.512 4.340 -0.000 0.000 0.201 190 R C 1.080 176.695 176.300 -1.142 0.000 0.888 190 R CA 0.449 55.350 56.100 -1.998 0.000 1.041 190 R CB -0.609 28.324 30.300 -2.278 0.000 1.115 190 R HN 0.331 nan 8.270 nan 0.000 0.559 191 H N 0.467 119.183 119.070 -0.589 0.000 2.986 191 H HA 0.302 4.858 4.556 -0.000 0.000 0.267 191 H C 0.632 175.780 175.328 -0.300 0.000 1.072 191 H CA 0.744 56.586 56.048 -0.345 0.000 1.202 191 H CB 1.316 30.903 29.762 -0.291 0.000 1.535 191 H HN 0.450 nan 8.280 nan 0.000 0.522 192 G N 2.209 110.854 108.800 -0.258 0.000 2.795 192 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.664 192 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.664 192 G C -2.680 171.961 174.900 -0.431 0.000 1.381 192 G CA -0.594 44.276 45.100 -0.382 0.000 0.853 192 G HN 0.062 nan 8.290 nan 0.000 0.545 193 P HA 0.149 nan 4.420 nan 0.000 0.275 193 P C 0.765 177.836 177.300 -0.382 0.000 1.270 193 P CA 0.034 62.793 63.100 -0.568 0.000 0.791 193 P CB 0.408 31.520 31.700 -0.981 0.000 1.089 194 Q N -0.223 119.409 119.800 -0.281 0.000 2.170 194 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 194 Q C 1.940 177.860 176.000 -0.133 0.000 0.976 194 Q CA 1.404 57.073 55.803 -0.223 0.000 0.858 194 Q CB -0.668 27.928 28.738 -0.237 0.000 0.907 194 Q HN 0.533 nan 8.270 nan 0.000 0.433 195 I N -2.630 117.853 120.570 -0.146 0.000 2.756 195 I HA -0.099 4.071 4.170 -0.000 0.000 0.262 195 I C 1.514 177.548 176.117 -0.139 0.000 1.225 195 I CA 0.942 62.170 61.300 -0.119 0.000 1.472 195 I CB -0.062 37.889 38.000 -0.080 0.000 1.094 195 I HN -0.138 nan 8.210 nan 0.000 0.454 196 S N 1.074 116.657 115.700 -0.195 0.000 2.593 196 S HA 0.162 4.631 4.470 -0.000 0.000 0.217 196 S C 0.826 175.377 174.600 -0.081 0.000 0.966 196 S CA 0.021 58.136 58.200 -0.141 0.000 0.914 196 S CB -0.365 62.701 63.200 -0.224 0.000 0.776 196 S HN 0.547 nan 8.310 nan 0.000 0.523 197 N N 1.425 120.076 118.700 -0.081 0.000 2.497 197 N HA 0.204 4.944 4.740 -0.000 0.000 0.284 197 N C -1.150 174.361 175.510 0.000 0.000 1.459 197 N CA 0.135 53.151 53.050 -0.058 0.000 0.899 197 N CB 1.578 39.987 38.487 -0.130 0.000 1.316 197 N HN 0.065 nan 8.380 nan 0.000 0.500 198 V N 1.596 121.540 119.914 0.051 0.000 2.448 198 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 198 V C 1.045 177.261 176.094 0.204 0.000 1.025 198 V CA -0.479 61.886 62.300 0.109 0.000 0.859 198 V CB 2.254 34.128 31.823 0.085 0.000 0.988 198 V HN 0.059 nan 8.190 nan 0.000 0.431 199 L N 3.135 124.410 121.223 0.086 0.000 2.168 199 L HA 0.272 4.612 4.340 -0.000 0.000 0.203 199 L C 0.927 177.745 176.870 -0.087 0.000 1.078 199 L CA 1.175 56.002 54.840 -0.021 0.000 0.780 199 L CB -0.067 41.907 42.059 -0.142 0.000 0.939 199 L HN 0.939 nan 8.230 nan 0.000 0.451 200 E N -2.090 118.118 120.200 0.014 0.000 2.422 200 E HA 0.563 4.913 4.350 -0.000 0.000 0.280 200 E C -1.250 175.415 176.600 0.108 0.000 1.091 200 E CA -0.725 55.680 56.400 0.009 0.000 0.849 200 E CB 1.358 30.961 29.700 -0.162 0.000 1.353 200 E HN -0.113 nan 8.360 nan 0.000 0.449 201 M N 0.939 120.609 119.600 0.117 0.000 2.531 201 M HA 0.388 4.867 4.480 -0.000 0.000 0.286 201 M C -1.787 174.512 176.300 -0.001 0.000 1.232 201 M CA -1.003 54.328 55.300 0.052 0.000 0.877 201 M CB 2.483 35.123 32.600 0.067 0.000 1.726 201 M HN 0.456 nan 8.290 nan 0.000 0.463 202 D N 1.859 122.238 120.400 -0.035 0.000 2.232 202 D HA 0.541 5.181 4.640 -0.000 0.000 0.242 202 D C -1.103 175.156 176.300 -0.068 0.000 1.093 202 D CA -0.036 53.935 54.000 -0.049 0.000 0.845 202 D CB 1.907 42.675 40.800 -0.053 0.000 1.124 202 D HN 0.157 nan 8.370 nan 0.000 0.467 203 V N 3.360 123.229 119.914 -0.075 0.000 2.638 203 V HA 0.402 4.522 4.120 -0.000 0.000 0.306 203 V C 0.082 176.120 176.094 -0.093 0.000 1.052 203 V CA -0.818 61.419 62.300 -0.105 0.000 0.885 203 V CB 1.999 33.751 31.823 -0.119 0.000 0.999 203 V HN 0.358 nan 8.190 nan 0.000 0.424 204 I N 4.295 124.798 120.570 -0.111 0.000 2.304 204 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 204 I C 1.037 177.125 176.117 -0.048 0.000 1.018 204 I CA -0.160 61.100 61.300 -0.068 0.000 1.260 204 I CB 1.603 39.564 38.000 -0.065 0.000 1.390 204 I HN 0.790 nan 8.210 nan 0.000 0.475 205 T N 1.756 116.315 114.554 0.009 0.000 2.732 205 T HA 0.193 4.543 4.350 -0.000 0.000 0.287 205 T C 1.447 176.186 174.700 0.065 0.000 0.993 205 T CA -0.113 62.025 62.100 0.064 0.000 0.966 205 T CB 1.158 70.147 68.868 0.202 0.000 1.047 205 T HN 0.708 nan 8.240 nan 0.000 0.527 206 G N -1.188 107.639 108.800 0.045 0.000 2.559 206 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 206 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 206 G C 1.313 176.122 174.900 -0.151 0.000 1.126 206 G CA 0.159 45.223 45.100 -0.060 0.000 0.778 206 G HN 0.888 nan 8.290 nan 0.000 0.543 207 H N 0.179 119.261 119.070 0.020 0.000 2.551 207 H HA 0.115 4.671 4.556 -0.000 0.000 0.266 207 H C 2.222 177.531 175.328 -0.032 0.000 0.977 207 H CA 0.634 56.673 56.048 -0.015 0.000 1.163 207 H CB 0.228 29.992 29.762 0.004 0.000 1.381 207 H HN 0.413 nan 8.280 nan 0.000 0.581 208 G N 1.532 110.372 108.800 0.067 0.000 2.137 208 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.237 208 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.237 208 G C 0.115 175.034 174.900 0.032 0.000 1.002 208 G CA 0.433 45.546 45.100 0.021 0.000 0.702 208 G HN 0.510 nan 8.290 nan 0.000 0.515 209 E N -0.244 119.994 120.200 0.063 0.000 2.174 209 E HA 0.615 4.965 4.350 -0.000 0.000 0.282 209 E C 0.584 177.197 176.600 0.021 0.000 0.992 209 E CA -1.094 55.331 56.400 0.042 0.000 0.803 209 E CB 0.456 30.193 29.700 0.061 0.000 1.090 209 E HN 0.236 nan 8.360 nan 0.000 0.396 210 M N 5.280 124.880 119.600 0.000 0.000 2.184 210 M HA 0.209 4.689 4.480 -0.000 0.000 0.351 210 M C -1.833 174.458 176.300 -0.015 0.000 1.395 210 M CA -0.157 55.133 55.300 -0.016 0.000 1.117 210 M CB 0.751 33.339 32.600 -0.020 0.000 1.708 210 M HN 0.266 nan 8.290 nan 0.000 0.468 211 V N 4.815 124.713 119.914 -0.027 0.000 2.577 211 V HA 0.468 4.588 4.120 -0.000 0.000 0.303 211 V C -0.164 175.906 176.094 -0.039 0.000 1.042 211 V CA -0.794 61.490 62.300 -0.027 0.000 0.872 211 V CB 2.040 33.848 31.823 -0.026 0.000 0.998 211 V HN 0.843 nan 8.190 nan 0.000 0.423 212 T N 4.501 119.032 114.554 -0.037 0.000 2.771 212 T HA 0.490 4.840 4.350 -0.000 0.000 0.291 212 T C -0.124 174.548 174.700 -0.047 0.000 0.954 212 T CA -0.217 61.856 62.100 -0.044 0.000 1.045 212 T CB 0.379 69.215 68.868 -0.052 0.000 0.917 212 T HN 1.004 nan 8.240 nan 0.000 0.484 213 C N 2.070 121.352 119.300 -0.030 0.000 2.802 213 C HA 1.000 5.460 4.460 -0.000 0.000 0.307 213 C C 0.022 174.924 174.990 -0.145 0.000 1.222 213 C CA -0.917 58.084 59.018 -0.029 0.000 1.580 213 C CB 0.907 28.683 27.740 0.059 0.000 2.119 213 C HN 0.982 nan 8.230 nan 0.000 0.479 214 S N 0.758 116.189 115.700 -0.449 0.000 2.724 214 S HA 0.495 4.965 4.470 -0.000 0.000 0.278 214 S C 0.076 174.113 174.600 -0.939 0.000 1.190 214 S CA -0.645 56.877 58.200 -1.130 0.000 0.860 214 S CB 0.858 63.692 63.200 -0.610 0.000 1.206 214 S HN 0.721 nan 8.310 nan 0.000 0.507 215 K N 0.207 120.103 120.400 -0.839 0.000 2.362 215 K HA 0.078 4.398 4.320 -0.000 0.000 0.200 215 K C 1.301 177.775 176.600 -0.209 0.000 1.046 215 K CA 1.247 57.324 56.287 -0.349 0.000 0.952 215 K CB -0.404 31.972 32.500 -0.207 0.000 0.753 215 K HN 0.545 nan 8.250 nan 0.000 0.466 216 Q N -0.539 119.122 119.800 -0.232 0.000 2.378 216 Q HA 0.174 4.514 4.340 -0.000 0.000 0.216 216 Q C -0.313 175.614 176.000 -0.121 0.000 0.892 216 Q CA 0.106 55.822 55.803 -0.145 0.000 0.931 216 Q CB 0.629 29.286 28.738 -0.135 0.000 1.086 216 Q HN 0.038 nan 8.270 nan 0.000 0.528 217 L N -0.054 121.081 121.223 -0.147 0.000 2.505 217 L HA 0.358 4.698 4.340 -0.000 0.000 0.266 217 L C -1.335 175.483 176.870 -0.086 0.000 0.954 217 L CA -0.161 54.619 54.840 -0.101 0.000 0.852 217 L CB 1.397 43.397 42.059 -0.098 0.000 1.282 217 L HN 0.227 nan 8.230 nan 0.000 0.403 218 N N 2.974 121.651 118.700 -0.039 0.000 2.714 218 N HA -0.261 4.479 4.740 -0.000 0.000 0.252 218 N C 1.127 176.643 175.510 0.010 0.000 1.014 218 N CA 0.762 53.811 53.050 -0.003 0.000 0.735 218 N CB -0.475 38.011 38.487 -0.001 0.000 0.924 218 N HN 0.819 nan 8.380 nan 0.000 0.540 219 A N 0.613 123.434 122.820 0.001 0.000 1.972 219 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 219 A C 2.088 179.728 177.584 0.092 0.000 1.169 219 A CA 1.860 53.925 52.037 0.046 0.000 0.635 219 A CB -0.228 18.779 19.000 0.011 0.000 0.810 219 A HN 0.691 nan 8.150 nan 0.000 0.446 220 D N 0.213 120.643 120.400 0.050 0.000 2.117 220 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 220 D C 1.784 178.062 176.300 -0.036 0.000 0.987 220 D CA 1.563 55.580 54.000 0.029 0.000 0.829 220 D CB -0.755 40.079 40.800 0.056 0.000 0.961 220 D HN 0.358 nan 8.370 nan 0.000 0.460 221 L N -0.553 120.626 121.223 -0.074 0.000 2.056 221 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 221 L C 2.369 179.140 176.870 -0.165 0.000 1.078 221 L CA 1.113 55.754 54.840 -0.332 0.000 0.749 221 L CB -0.950 40.794 42.059 -0.526 0.000 0.901 221 L HN -0.034 nan 8.230 nan 0.000 0.433 222 F N 0.823 120.672 119.950 -0.168 0.000 2.043 222 F HA -0.302 4.225 4.527 -0.000 0.000 0.297 222 F C 2.210 177.965 175.800 -0.075 0.000 1.121 222 F CA 2.303 60.239 58.000 -0.106 0.000 1.199 222 F CB -0.509 38.444 39.000 -0.077 0.000 0.968 222 F HN 0.219 nan 8.300 nan 0.000 0.478 223 D N 0.232 120.642 120.400 0.018 0.000 2.144 223 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 223 D C 2.344 178.585 176.300 -0.099 0.000 0.984 223 D CA 1.476 55.447 54.000 -0.047 0.000 0.834 223 D CB -0.712 40.115 40.800 0.045 0.000 0.955 223 D HN 0.399 nan 8.370 nan 0.000 0.465 224 A N 0.499 123.199 122.820 -0.199 0.000 1.873 224 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 224 A C 2.520 180.043 177.584 -0.102 0.000 1.186 224 A CA 1.057 52.873 52.037 -0.369 0.000 0.616 224 A CB -0.706 17.711 19.000 -0.972 0.000 0.823 224 A HN 0.138 nan 8.150 nan 0.000 0.442 225 V N 0.314 120.174 119.914 -0.090 0.000 2.427 225 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 225 V C 1.159 177.293 176.094 0.066 0.000 1.051 225 V CA 0.844 63.184 62.300 0.067 0.000 1.048 225 V CB -0.785 31.007 31.823 -0.051 0.000 0.666 225 V HN 0.461 nan 8.190 nan 0.000 0.456 226 L N 1.254 122.440 121.223 -0.061 0.000 2.456 226 L HA 0.380 4.720 4.340 -0.000 0.000 0.277 226 L C 1.363 178.317 176.870 0.141 0.000 1.124 226 L CA 0.784 55.601 54.840 -0.039 0.000 0.880 226 L CB -0.227 41.695 42.059 -0.228 0.000 1.192 226 L HN 0.438 nan 8.230 nan 0.000 0.463 227 G N 2.628 111.563 108.800 0.225 0.000 2.155 227 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 227 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 227 G C 0.829 176.011 174.900 0.470 0.000 0.983 227 G CA 0.207 45.525 45.100 0.364 0.000 0.676 227 G HN 0.888 nan 8.290 nan 0.000 0.528 228 G N -0.231 108.827 108.800 0.430 0.000 3.088 228 G HA2 0.421 4.381 3.960 -0.000 0.000 0.212 228 G HA3 0.421 4.381 3.960 -0.000 0.000 0.212 228 G C 1.121 176.276 174.900 0.427 0.000 1.173 228 G CA 0.467 45.924 45.100 0.596 0.000 0.779 228 G HN 1.414 nan 8.290 nan 0.000 0.540 229 L N -1.126 120.299 121.223 0.336 0.000 3.843 229 L HA -0.247 4.092 4.340 -0.000 0.000 0.411 229 L C 1.655 178.607 176.870 0.138 0.000 1.205 229 L CA 0.295 55.278 54.840 0.238 0.000 0.945 229 L CB -1.821 40.392 42.059 0.256 0.000 1.929 229 L HN 0.613 nan 8.230 nan 0.000 0.934 230 G N -1.194 107.685 108.800 0.132 0.000 2.168 230 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 230 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 230 G C 0.735 175.653 174.900 0.030 0.000 0.997 230 G CA 0.638 45.825 45.100 0.144 0.000 0.708 230 G HN 0.476 nan 8.290 nan 0.000 0.520 231 Q N -1.369 118.272 119.800 -0.266 0.000 2.389 231 Q HA 0.229 4.569 4.340 -0.000 0.000 0.204 231 Q C 1.784 177.344 176.000 -0.733 0.000 0.944 231 Q CA 1.020 56.445 55.803 -0.630 0.000 0.908 231 Q CB -0.023 28.066 28.738 -1.081 0.000 1.002 231 Q HN 0.715 nan 8.270 nan 0.000 0.493 232 F N -1.106 118.821 119.950 -0.038 0.000 2.746 232 F HA 0.475 5.002 4.527 -0.000 0.000 0.313 232 F C 1.078 176.840 175.800 -0.063 0.000 1.095 232 F CA 0.227 58.177 58.000 -0.084 0.000 1.224 232 F CB 1.031 39.925 39.000 -0.177 0.000 1.060 232 F HN -0.050 nan 8.300 nan 0.000 0.584 233 G N -0.203 108.654 108.800 0.096 0.000 2.336 233 G HA2 0.339 4.299 3.960 -0.000 0.000 0.300 233 G HA3 0.339 4.299 3.960 -0.000 0.000 0.300 233 G C -2.205 172.585 174.900 -0.184 0.000 1.375 233 G CA -0.698 44.401 45.100 -0.003 0.000 0.885 233 G HN -0.077 nan 8.290 nan 0.000 0.599 234 V N 0.967 120.616 119.914 -0.442 0.000 2.394 234 V HA 0.643 4.763 4.120 -0.000 0.000 0.282 234 V C 0.313 176.183 176.094 -0.374 0.000 1.031 234 V CA -0.912 60.931 62.300 -0.762 0.000 0.881 234 V CB 0.775 31.751 31.823 -1.411 0.000 0.982 234 V HN 0.616 nan 8.190 nan 0.000 0.451 235 I N 6.830 127.236 120.570 -0.273 0.000 2.494 235 I HA 0.157 4.326 4.170 -0.000 0.000 0.289 235 I C 1.563 177.579 176.117 -0.168 0.000 1.106 235 I CA 0.501 61.701 61.300 -0.166 0.000 1.369 235 I CB 1.246 39.181 38.000 -0.107 0.000 1.410 235 I HN 0.856 nan 8.210 nan 0.000 0.523 236 T N 2.836 117.307 114.554 -0.139 0.000 3.037 236 T HA 0.165 4.515 4.350 -0.000 0.000 0.251 236 T C 0.748 175.393 174.700 -0.092 0.000 1.079 236 T CA -0.086 61.946 62.100 -0.114 0.000 1.067 236 T CB 0.298 69.108 68.868 -0.097 0.000 0.948 236 T HN 0.566 nan 8.240 nan 0.000 0.496 237 R N 0.151 120.599 120.500 -0.086 0.000 2.566 237 R HA 0.656 4.996 4.340 -0.000 0.000 0.271 237 R C -2.232 174.026 176.300 -0.070 0.000 1.071 237 R CA -0.537 55.517 56.100 -0.078 0.000 0.915 237 R CB 1.925 32.188 30.300 -0.061 0.000 1.228 237 R HN 0.255 nan 8.270 nan 0.000 0.449 238 A N 3.518 126.290 122.820 -0.080 0.000 2.393 238 A HA 0.559 4.878 4.320 -0.000 0.000 0.306 238 A C -1.120 176.429 177.584 -0.058 0.000 1.050 238 A CA -0.763 51.240 52.037 -0.056 0.000 0.724 238 A CB 1.575 20.540 19.000 -0.058 0.000 1.248 238 A HN 0.729 nan 8.150 nan 0.000 0.424 239 R N 2.096 122.566 120.500 -0.050 0.000 2.196 239 R HA 0.569 4.909 4.340 -0.000 0.000 0.340 239 R C -1.248 175.036 176.300 -0.027 0.000 1.043 239 R CA 0.011 56.058 56.100 -0.089 0.000 0.883 239 R CB -0.098 30.059 30.300 -0.239 0.000 1.078 239 R HN 0.631 nan 8.270 nan 0.000 0.462 240 I N 3.714 124.298 120.570 0.024 0.000 2.377 240 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 240 I C 0.353 176.512 176.117 0.070 0.000 0.987 240 I CA -0.779 60.550 61.300 0.049 0.000 1.185 240 I CB 1.956 39.990 38.000 0.057 0.000 1.341 240 I HN 0.681 nan 8.210 nan 0.000 0.455 241 A N 6.463 129.302 122.820 0.031 0.000 2.498 241 A HA 0.503 4.823 4.320 -0.000 0.000 0.239 241 A C -0.000 177.574 177.584 -0.017 0.000 1.068 241 A CA -0.173 51.876 52.037 0.021 0.000 0.766 241 A CB 0.205 19.193 19.000 -0.021 0.000 1.003 241 A HN 0.675 nan 8.150 nan 0.000 0.497 242 V N 0.262 120.178 119.914 0.003 0.000 3.126 242 V HA 0.936 5.056 4.120 -0.000 0.000 0.314 242 V C -0.551 175.525 176.094 -0.029 0.000 1.138 242 V CA -0.617 61.673 62.300 -0.017 0.000 1.034 242 V CB 1.741 33.575 31.823 0.019 0.000 1.075 242 V HN 1.110 nan 8.190 nan 0.000 0.442 243 E N 0.739 120.924 120.200 -0.025 0.000 2.369 243 E HA 0.659 5.009 4.350 -0.000 0.000 0.270 243 E C -3.158 173.438 176.600 -0.006 0.000 0.909 243 E CA -2.558 53.826 56.400 -0.025 0.000 0.775 243 E CB 2.062 31.729 29.700 -0.056 0.000 1.270 243 E HN 0.461 nan 8.360 nan 0.000 0.445 244 P HA -0.004 nan 4.420 nan 0.000 0.261 244 P C -0.808 176.473 177.300 -0.031 0.000 1.183 244 P CA 0.364 63.454 63.100 -0.015 0.000 0.761 244 P CB 0.467 32.155 31.700 -0.019 0.000 0.785 245 A N 6.419 129.231 122.820 -0.014 0.000 2.451 245 A HA 0.386 4.706 4.320 -0.000 0.000 0.266 245 A C -1.747 175.753 177.584 -0.140 0.000 1.119 245 A CA -1.053 50.967 52.037 -0.028 0.000 0.786 245 A CB -0.878 18.167 19.000 0.075 0.000 1.061 245 A HN 0.401 nan 8.150 nan 0.000 0.503 246 P HA 0.263 nan 4.420 nan 0.000 0.271 246 P C 0.623 177.753 177.300 -0.285 0.000 1.218 246 P CA 0.222 63.088 63.100 -0.389 0.000 0.780 246 P CB 1.286 32.602 31.700 -0.640 0.000 0.901 247 A N 3.705 126.388 122.820 -0.228 0.000 1.935 247 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 247 A C 1.091 178.564 177.584 -0.186 0.000 1.178 247 A CA 0.986 52.929 52.037 -0.157 0.000 0.640 247 A CB -0.083 18.827 19.000 -0.150 0.000 0.825 247 A HN 0.558 nan 8.150 nan 0.000 0.447 248 R N -2.455 117.799 120.500 -0.410 0.000 2.799 248 R HA 0.675 5.014 4.340 -0.000 0.000 0.270 248 R C -1.488 174.564 176.300 -0.413 0.000 1.010 248 R CA -0.229 55.596 56.100 -0.458 0.000 0.916 248 R CB 2.076 31.901 30.300 -0.791 0.000 1.228 248 R HN 0.242 nan 8.270 nan 0.000 0.469 249 A N 1.644 124.371 122.820 -0.154 0.000 2.353 249 A HA 0.523 4.843 4.320 -0.000 0.000 0.299 249 A C -0.972 176.705 177.584 0.155 0.000 1.089 249 A CA -0.650 51.358 52.037 -0.047 0.000 0.736 249 A CB 1.405 20.258 19.000 -0.245 0.000 1.195 249 A HN 0.536 nan 8.150 nan 0.000 0.447 250 R N 1.751 122.424 120.500 0.289 0.000 2.298 250 R HA 0.372 4.712 4.340 -0.000 0.000 0.310 250 R C -1.351 175.079 176.300 0.217 0.000 1.068 250 R CA -0.151 56.108 56.100 0.266 0.000 0.957 250 R CB 0.283 30.704 30.300 0.202 0.000 1.003 250 R HN 0.693 nan 8.270 nan 0.000 0.454 251 W N 7.272 128.593 121.300 0.036 0.000 2.499 251 W HA 0.440 5.100 4.660 -0.000 0.000 0.320 251 W C -1.497 175.102 176.519 0.134 0.000 1.010 251 W CA -1.172 56.184 57.345 0.018 0.000 1.267 251 W CB 1.029 30.547 29.460 0.096 0.000 1.316 251 W HN 0.391 nan 8.180 nan 0.000 0.431 252 V N 4.176 124.226 119.914 0.227 0.000 2.769 252 V HA 0.719 4.839 4.120 -0.000 0.000 0.312 252 V C -0.560 175.222 176.094 -0.520 0.000 1.061 252 V CA -1.288 60.928 62.300 -0.140 0.000 0.931 252 V CB 2.038 33.643 31.823 -0.364 0.000 1.010 252 V HN 0.484 nan 8.190 nan 0.000 0.433 253 R N 2.650 122.812 120.500 -0.565 0.000 2.534 253 R HA 0.685 5.025 4.340 -0.000 0.000 0.301 253 R C -1.905 174.316 176.300 -0.131 0.000 0.961 253 R CA -0.411 55.407 56.100 -0.471 0.000 0.871 253 R CB 2.071 31.993 30.300 -0.630 0.000 1.170 253 R HN 0.717 nan 8.270 nan 0.000 0.446 254 F N 1.752 121.828 119.950 0.210 0.000 2.482 254 F HA 0.399 4.926 4.527 -0.000 0.000 0.331 254 F C 0.150 176.145 175.800 0.326 0.000 1.115 254 F CA -1.093 56.974 58.000 0.113 0.000 0.955 254 F CB 1.692 40.663 39.000 -0.047 0.000 1.136 254 F HN 0.021 nan 8.300 nan 0.000 0.452 255 V N 4.006 124.188 119.914 0.447 0.000 2.472 255 V HA 0.468 4.588 4.120 -0.000 0.000 0.290 255 V C -0.879 175.269 176.094 0.090 0.000 1.037 255 V CA -0.958 61.546 62.300 0.341 0.000 0.908 255 V CB 1.294 33.284 31.823 0.279 0.000 0.985 255 V HN 0.626 nan 8.190 nan 0.000 0.454 256 Y N 1.123 121.571 120.300 0.246 0.000 2.545 256 Y HA 0.466 5.016 4.550 -0.000 0.000 0.348 256 Y C 1.076 177.089 175.900 0.187 0.000 1.002 256 Y CA -0.690 57.552 58.100 0.238 0.000 1.039 256 Y CB 2.505 41.172 38.460 0.346 0.000 1.271 256 Y HN 0.653 nan 8.280 nan 0.000 0.467 257 T N -3.942 110.801 114.554 0.315 0.000 3.010 257 T HA 0.097 4.447 4.350 -0.000 0.000 0.257 257 T C -0.178 174.758 174.700 0.393 0.000 1.020 257 T CA -0.013 62.244 62.100 0.261 0.000 0.938 257 T CB 0.272 69.196 68.868 0.094 0.000 1.049 257 T HN 0.548 nan 8.240 nan 0.000 0.522 258 D N 0.442 121.083 120.400 0.401 0.000 2.392 258 D HA 0.232 4.872 4.640 -0.000 0.000 0.228 258 D C 0.071 176.488 176.300 0.196 0.000 1.074 258 D CA -0.687 53.496 54.000 0.304 0.000 0.838 258 D CB 1.153 42.092 40.800 0.231 0.000 1.067 258 D HN 0.051 nan 8.370 nan 0.000 0.511 259 F N 4.328 124.239 119.950 -0.065 0.000 2.126 259 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 259 F C 2.041 177.773 175.800 -0.113 0.000 1.096 259 F CA 1.833 59.593 58.000 -0.400 0.000 1.255 259 F CB 0.057 38.837 39.000 -0.367 0.000 0.997 259 F HN 0.499 nan 8.300 nan 0.000 0.479 260 A N 0.355 123.173 122.820 -0.003 0.000 1.908 260 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 260 A C 2.408 179.903 177.584 -0.147 0.000 1.181 260 A CA 1.927 53.925 52.037 -0.065 0.000 0.627 260 A CB -1.561 17.477 19.000 0.064 0.000 0.818 260 A HN 0.507 nan 8.150 nan 0.000 0.445 261 A N -1.171 121.620 122.820 -0.049 0.000 1.930 261 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 261 A C 2.021 179.464 177.584 -0.235 0.000 1.175 261 A CA 1.490 53.531 52.037 0.006 0.000 0.627 261 A CB -0.690 18.450 19.000 0.234 0.000 0.815 261 A HN 0.752 nan 8.150 nan 0.000 0.443 262 F N 2.352 121.890 119.950 -0.686 0.000 2.046 262 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 262 F C 2.692 178.049 175.800 -0.739 0.000 1.123 262 F CA 2.312 59.608 58.000 -1.174 0.000 1.199 262 F CB -0.663 37.775 39.000 -0.938 0.000 0.972 262 F HN 0.293 nan 8.300 nan 0.000 0.474 263 S N 0.891 115.952 115.700 -1.065 0.000 2.383 263 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 263 S C 2.286 176.621 174.600 -0.441 0.000 1.026 263 S CA 0.803 58.471 58.200 -0.887 0.000 0.981 263 S CB -1.383 61.251 63.200 -0.944 0.000 0.818 263 S HN 0.530 nan 8.310 nan 0.000 0.472 264 A N 2.259 124.880 122.820 -0.332 0.000 1.908 264 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 264 A C 1.975 179.462 177.584 -0.160 0.000 1.181 264 A CA 1.810 53.743 52.037 -0.173 0.000 0.627 264 A CB -0.909 18.029 19.000 -0.103 0.000 0.818 264 A HN 0.479 nan 8.150 nan 0.000 0.445 265 D N -0.704 119.578 120.400 -0.197 0.000 2.149 265 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 265 D C 2.226 178.435 176.300 -0.151 0.000 0.972 265 D CA 1.080 55.020 54.000 -0.101 0.000 0.835 265 D CB -0.333 40.487 40.800 0.033 0.000 0.966 265 D HN 0.579 nan 8.370 nan 0.000 0.476 266 Q N 0.313 119.927 119.800 -0.309 0.000 2.096 266 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 266 Q C 1.993 177.830 176.000 -0.272 0.000 0.982 266 Q CA 1.088 56.701 55.803 -0.317 0.000 0.850 266 Q CB -0.038 28.430 28.738 -0.451 0.000 0.901 266 Q HN 0.424 nan 8.270 nan 0.000 0.422 267 E N 0.134 120.199 120.200 -0.224 0.000 2.106 267 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 267 E C 2.048 178.576 176.600 -0.120 0.000 0.984 267 E CA 0.448 56.745 56.400 -0.172 0.000 0.806 267 E CB 0.036 29.673 29.700 -0.106 0.000 0.750 267 E HN 0.183 nan 8.360 nan 0.000 0.458 268 R N 0.476 120.918 120.500 -0.097 0.000 2.080 268 R HA -0.116 4.223 4.340 -0.000 0.000 0.236 268 R C 2.352 178.622 176.300 -0.051 0.000 1.137 268 R CA 1.131 57.200 56.100 -0.053 0.000 0.943 268 R CB -0.204 30.078 30.300 -0.030 0.000 0.846 268 R HN 0.158 nan 8.270 nan 0.000 0.431 269 L N -0.259 120.910 121.223 -0.090 0.000 2.191 269 L HA -0.118 4.221 4.340 -0.000 0.000 0.212 269 L C 2.007 178.747 176.870 -0.217 0.000 1.103 269 L CA 1.540 56.316 54.840 -0.107 0.000 0.769 269 L CB -0.301 41.687 42.059 -0.118 0.000 0.908 269 L HN 0.398 nan 8.230 nan 0.000 0.438 270 T N -3.770 110.599 114.554 -0.309 0.000 3.054 270 T HA 0.415 4.765 4.350 -0.000 0.000 0.255 270 T C 0.690 175.490 174.700 0.167 0.000 1.035 270 T CA 0.019 61.883 62.100 -0.394 0.000 0.941 270 T CB 0.114 68.554 68.868 -0.713 0.000 1.026 270 T HN 0.138 nan 8.240 nan 0.000 0.533 271 A N 2.993 125.875 122.820 0.103 0.000 2.462 271 A HA 0.577 4.897 4.320 -0.000 0.000 0.243 271 A C -2.372 175.276 177.584 0.106 0.000 1.076 271 A CA -1.307 50.794 52.037 0.106 0.000 0.773 271 A CB -0.197 18.813 19.000 0.017 0.000 1.010 271 A HN 0.269 nan 8.150 nan 0.000 0.493 272 P HA 0.153 nan 4.420 nan 0.000 0.269 272 P C 0.166 177.307 177.300 -0.266 0.000 1.209 272 P CA -0.196 62.606 63.100 -0.497 0.000 0.776 272 P CB 0.480 31.927 31.700 -0.422 0.000 0.876 281 F N 1.395 121.341 119.950 -0.007 0.000 2.631 281 F HA 0.757 5.284 4.527 -0.000 0.000 0.328 281 F C 1.281 177.120 175.800 0.066 0.000 1.067 281 F CA -0.088 57.940 58.000 0.045 0.000 0.969 281 F CB 1.201 40.231 39.000 0.051 0.000 1.332 281 F HN 0.726 nan 8.300 nan 0.000 0.490 282 G N 0.405 109.398 108.800 0.321 0.000 2.631 282 G HA2 0.295 4.255 3.960 -0.000 0.000 0.271 282 G HA3 0.295 4.255 3.960 -0.000 0.000 0.271 282 G C -2.009 173.014 174.900 0.206 0.000 1.302 282 G CA -0.762 44.460 45.100 0.204 0.000 1.002 282 G HN 0.453 nan 8.290 nan 0.000 0.519 283 P HA 0.019 nan 4.420 nan 0.000 0.221 283 P C 0.804 178.203 177.300 0.165 0.000 1.150 283 P CA 0.612 63.795 63.100 0.138 0.000 0.800 283 P CB 0.149 31.915 31.700 0.109 0.000 0.787 284 M N -0.083 119.636 119.600 0.199 0.000 2.252 284 M HA 0.032 4.511 4.480 -0.000 0.000 0.348 284 M C 1.265 177.742 176.300 0.295 0.000 1.334 284 M CA 0.706 56.138 55.300 0.220 0.000 1.071 284 M CB -0.005 32.704 32.600 0.182 0.000 1.763 284 M HN -0.137 nan 8.290 nan 0.000 0.452 285 S N 2.453 118.290 115.700 0.229 0.000 2.470 285 S HA 0.030 4.500 4.470 -0.000 0.000 0.225 285 S C -0.046 174.758 174.600 0.338 0.000 1.006 285 S CA 0.425 58.753 58.200 0.214 0.000 0.934 285 S CB 0.061 63.340 63.200 0.132 0.000 0.778 285 S HN 0.695 nan 8.310 nan 0.000 0.517 286 Y N 0.247 120.672 120.300 0.209 0.000 2.436 286 Y HA 0.511 5.061 4.550 -0.000 0.000 0.327 286 Y C -2.076 173.893 175.900 0.116 0.000 1.138 286 Y CA -0.879 57.339 58.100 0.197 0.000 1.042 286 Y CB 1.185 39.692 38.460 0.078 0.000 1.302 286 Y HN -0.220 nan 8.280 nan 0.000 0.439 287 V N 6.378 126.104 119.914 -0.313 0.000 2.524 287 V HA 0.465 4.585 4.120 -0.000 0.000 0.297 287 V C -0.738 174.957 176.094 -0.664 0.000 1.035 287 V CA -0.581 61.485 62.300 -0.390 0.000 0.867 287 V CB 1.560 33.100 31.823 -0.471 0.000 1.004 287 V HN 0.891 nan 8.190 nan 0.000 0.426 288 E N 1.957 121.861 120.200 -0.494 0.000 2.440 288 E HA 0.880 5.230 4.350 -0.000 0.000 0.263 288 E C -0.287 176.361 176.600 0.081 0.000 0.938 288 E CA -0.875 55.301 56.400 -0.374 0.000 0.831 288 E CB 2.901 32.330 29.700 -0.452 0.000 1.456 288 E HN 0.790 nan 8.360 nan 0.000 0.427 289 G N -0.229 108.738 108.800 0.279 0.000 2.677 289 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 289 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 289 G C -1.409 173.685 174.900 0.324 0.000 1.435 289 G CA -0.556 44.811 45.100 0.445 0.000 0.826 289 G HN 0.411 nan 8.290 nan 0.000 0.491 290 S N -1.356 114.463 115.700 0.199 0.000 2.588 290 S HA 0.807 5.277 4.470 -0.000 0.000 0.275 290 S C -1.058 173.289 174.600 -0.422 0.000 1.130 290 S CA -0.837 57.274 58.200 -0.149 0.000 0.855 290 S CB 1.954 64.987 63.200 -0.278 0.000 1.116 290 S HN 0.894 nan 8.310 nan 0.000 0.472 291 V N 1.541 121.027 119.914 -0.713 0.000 2.555 291 V HA 0.629 4.748 4.120 -0.000 0.000 0.302 291 V C -1.496 174.040 176.094 -0.930 0.000 1.038 291 V CA -0.592 61.246 62.300 -0.768 0.000 0.887 291 V CB 0.951 32.191 31.823 -0.972 0.000 0.991 291 V HN 0.854 nan 8.190 nan 0.000 0.434 292 F N 3.317 123.057 119.950 -0.350 0.000 2.499 292 F HA 0.578 5.105 4.527 -0.000 0.000 0.333 292 F C 0.138 175.801 175.800 -0.227 0.000 1.138 292 F CA -0.980 56.888 58.000 -0.220 0.000 0.945 292 F CB 1.902 40.798 39.000 -0.173 0.000 1.181 292 F HN 0.412 nan 8.300 nan 0.000 0.435 293 V N 0.420 120.331 119.914 -0.004 0.000 2.732 293 V HA 0.308 4.428 4.120 -0.000 0.000 0.297 293 V C 1.043 177.141 176.094 0.006 0.000 1.060 293 V CA -0.534 61.758 62.300 -0.013 0.000 1.038 293 V CB 1.329 33.163 31.823 0.018 0.000 1.003 293 V HN 0.827 nan 8.190 nan 0.000 0.481 294 N N 2.525 121.216 118.700 -0.015 0.000 2.061 294 N HA -0.263 4.477 4.740 -0.000 0.000 0.193 294 N C 1.783 177.291 175.510 -0.003 0.000 1.030 294 N CA 2.351 55.391 53.050 -0.017 0.000 0.856 294 N CB -0.315 38.158 38.487 -0.022 0.000 1.023 294 N HN 0.955 nan 8.380 nan 0.000 0.424 295 Q N -0.641 119.162 119.800 0.004 0.000 2.096 295 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 295 Q C 0.354 176.365 176.000 0.019 0.000 0.982 295 Q CA 1.808 57.617 55.803 0.009 0.000 0.850 295 Q CB -0.057 28.687 28.738 0.010 0.000 0.901 295 Q HN 0.541 nan 8.270 nan 0.000 0.422 296 S N -0.450 115.270 115.700 0.035 0.000 2.588 296 S HA 0.116 4.586 4.470 -0.000 0.000 0.245 296 S C 0.982 175.619 174.600 0.061 0.000 1.021 296 S CA -0.400 57.830 58.200 0.050 0.000 1.006 296 S CB 0.542 63.783 63.200 0.069 0.000 0.830 296 S HN 0.303 nan 8.310 nan 0.000 0.468 297 L N 2.594 123.836 121.223 0.033 0.000 1.970 297 L HA -0.001 4.339 4.340 -0.000 0.000 0.212 297 L C 2.545 179.396 176.870 -0.032 0.000 1.071 297 L CA 2.406 57.251 54.840 0.008 0.000 0.751 297 L CB -1.188 40.846 42.059 -0.042 0.000 0.889 297 L HN 0.397 nan 8.230 nan 0.000 0.432 298 A N -1.799 120.999 122.820 -0.037 0.000 1.908 298 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 298 A C 2.259 179.839 177.584 -0.007 0.000 1.181 298 A CA 2.427 54.437 52.037 -0.047 0.000 0.627 298 A CB -1.300 17.681 19.000 -0.032 0.000 0.818 298 A HN 0.561 nan 8.150 nan 0.000 0.445 299 T N 0.281 114.852 114.554 0.028 0.000 2.674 299 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 299 T C 1.522 176.281 174.700 0.099 0.000 1.039 299 T CA 1.648 63.783 62.100 0.059 0.000 1.150 299 T CB -0.451 68.454 68.868 0.062 0.000 0.864 299 T HN 0.479 nan 8.240 nan 0.000 0.427 300 D N 0.981 121.465 120.400 0.139 0.000 2.144 300 D HA 0.025 4.665 4.640 -0.000 0.000 0.200 300 D C 2.152 178.642 176.300 0.316 0.000 0.978 300 D CA 0.574 54.726 54.000 0.252 0.000 0.833 300 D CB -0.425 40.581 40.800 0.343 0.000 0.961 300 D HN 0.299 nan 8.370 nan 0.000 0.470 301 L N 0.635 121.914 121.223 0.093 0.000 2.046 301 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 301 L C 2.467 179.437 176.870 0.167 0.000 1.077 301 L CA 1.245 56.049 54.840 -0.061 0.000 0.747 301 L CB -0.393 41.439 42.059 -0.378 0.000 0.896 301 L HN -0.013 nan 8.230 nan 0.000 0.432 302 A N -0.184 122.696 122.820 0.101 0.000 1.969 302 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 302 A C 1.921 179.579 177.584 0.124 0.000 1.169 302 A CA 1.549 53.649 52.037 0.105 0.000 0.635 302 A CB -0.482 18.555 19.000 0.061 0.000 0.810 302 A HN 0.410 nan 8.150 nan 0.000 0.445 303 N N 0.087 118.877 118.700 0.149 0.000 2.512 303 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 303 N C 1.792 177.405 175.510 0.172 0.000 1.073 303 N CA 1.619 54.762 53.050 0.155 0.000 0.911 303 N CB -0.570 38.015 38.487 0.162 0.000 0.964 303 N HN 0.726 nan 8.380 nan 0.000 0.447 304 T N -3.224 111.452 114.554 0.203 0.000 2.833 304 T HA 0.005 4.355 4.350 -0.000 0.000 0.269 304 T C 1.647 176.420 174.700 0.123 0.000 1.054 304 T CA 1.359 63.568 62.100 0.181 0.000 1.135 304 T CB -0.409 68.563 68.868 0.174 0.000 0.869 304 T HN 0.271 nan 8.240 nan 0.000 0.466 305 G N 0.082 108.932 108.800 0.084 0.000 2.179 305 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 305 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 305 G C 0.376 175.237 174.900 -0.064 0.000 0.977 305 G CA 0.372 45.492 45.100 0.032 0.000 0.641 305 G HN 0.554 nan 8.290 nan 0.000 0.533 306 F N 0.110 119.866 119.950 -0.323 0.000 2.343 306 F HA 0.572 5.099 4.527 -0.000 0.000 0.286 306 F C 0.979 176.455 175.800 -0.540 0.000 1.057 306 F CA -0.168 57.474 58.000 -0.597 0.000 1.365 306 F CB 0.277 38.731 39.000 -0.909 0.000 1.114 306 F HN -0.009 nan 8.300 nan 0.000 0.545 307 F N 1.633 121.571 119.950 -0.020 0.000 2.412 307 F HA 0.277 4.804 4.527 -0.000 0.000 0.348 307 F C 1.044 176.759 175.800 -0.142 0.000 1.102 307 F CA -1.064 56.843 58.000 -0.154 0.000 1.196 307 F CB 0.165 39.023 39.000 -0.235 0.000 1.144 307 F HN -0.135 nan 8.300 nan 0.000 0.541 308 T N -1.508 113.078 114.554 0.054 0.000 2.766 308 T HA 0.088 4.438 4.350 -0.000 0.000 0.295 308 T C 0.910 175.625 174.700 0.025 0.000 1.024 308 T CA -0.754 61.356 62.100 0.015 0.000 1.018 308 T CB 0.772 69.641 68.868 0.002 0.000 1.002 308 T HN 0.507 nan 8.240 nan 0.000 0.532 309 D N 0.825 121.231 120.400 0.010 0.000 2.149 309 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 309 D C 2.321 178.619 176.300 -0.003 0.000 0.990 309 D CA 1.622 55.623 54.000 0.002 0.000 0.839 309 D CB -0.715 40.086 40.800 0.002 0.000 0.948 309 D HN 0.744 nan 8.370 nan 0.000 0.460 310 A N 1.270 124.095 122.820 0.008 0.000 1.902 310 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 310 A C 1.860 179.458 177.584 0.023 0.000 1.181 310 A CA 1.624 53.670 52.037 0.016 0.000 0.623 310 A CB -0.336 18.679 19.000 0.024 0.000 0.818 310 A HN 0.023 nan 8.150 nan 0.000 0.443 311 D N -0.122 120.296 120.400 0.030 0.000 2.104 311 D HA -0.117 4.522 4.640 -0.000 0.000 0.194 311 D C 2.116 178.303 176.300 -0.190 0.000 0.994 311 D CA 1.547 55.540 54.000 -0.012 0.000 0.830 311 D CB -0.541 40.230 40.800 -0.048 0.000 0.959 311 D HN 0.217 nan 8.370 nan 0.000 0.452 312 V N 1.629 121.434 119.914 -0.182 0.000 2.287 312 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 312 V C 2.592 178.603 176.094 -0.138 0.000 1.053 312 V CA 1.908 64.069 62.300 -0.231 0.000 1.027 312 V CB -0.916 30.831 31.823 -0.127 0.000 0.646 312 V HN 0.191 nan 8.190 nan 0.000 0.447 313 A N -0.085 122.699 122.820 -0.061 0.000 1.908 313 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 313 A C 2.381 179.974 177.584 0.015 0.000 1.181 313 A CA 1.993 54.016 52.037 -0.022 0.000 0.627 313 A CB -0.519 18.478 19.000 -0.005 0.000 0.818 313 A HN 0.533 nan 8.150 nan 0.000 0.445 314 R N -0.707 119.824 120.500 0.052 0.000 2.081 314 R HA -0.057 4.282 4.340 -0.000 0.000 0.235 314 R C 1.994 178.478 176.300 0.305 0.000 1.131 314 R CA 1.643 57.843 56.100 0.166 0.000 0.960 314 R CB -0.489 29.901 30.300 0.150 0.000 0.856 314 R HN 0.592 nan 8.270 nan 0.000 0.436 315 I N 0.141 120.816 120.570 0.175 0.000 2.252 315 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 315 I C 2.262 178.324 176.117 -0.093 0.000 1.102 315 I CA 0.913 62.221 61.300 0.014 0.000 1.385 315 I CB -0.217 37.612 38.000 -0.285 0.000 1.064 315 I HN -0.060 nan 8.210 nan 0.000 0.414 316 V N 1.181 121.040 119.914 -0.091 0.000 2.332 316 V HA -0.322 3.797 4.120 -0.000 0.000 0.248 316 V C 2.741 178.813 176.094 -0.037 0.000 1.055 316 V CA 2.095 64.349 62.300 -0.077 0.000 1.038 316 V CB -1.070 30.714 31.823 -0.065 0.000 0.651 316 V HN 0.507 nan 8.190 nan 0.000 0.450 317 A N -0.214 122.609 122.820 0.005 0.000 1.902 317 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 317 A C 2.167 179.763 177.584 0.021 0.000 1.181 317 A CA 2.061 54.114 52.037 0.026 0.000 0.623 317 A CB -0.555 18.480 19.000 0.059 0.000 0.818 317 A HN 0.474 nan 8.150 nan 0.000 0.443 318 L N -0.140 121.094 121.223 0.018 0.000 2.017 318 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 318 L C 2.643 179.452 176.870 -0.101 0.000 1.073 318 L CA 2.392 57.187 54.840 -0.076 0.000 0.745 318 L CB -0.758 41.088 42.059 -0.355 0.000 0.894 318 L HN 0.322 nan 8.230 nan 0.000 0.432 319 A N -0.468 122.286 122.820 -0.111 0.000 1.933 319 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 319 A C 2.330 179.885 177.584 -0.048 0.000 1.175 319 A CA 1.580 53.565 52.037 -0.087 0.000 0.628 319 A CB -1.643 17.299 19.000 -0.097 0.000 0.814 319 A HN 0.568 nan 8.150 nan 0.000 0.444 320 G N 0.654 109.432 108.800 -0.036 0.000 2.433 320 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 320 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 320 G C 1.428 176.322 174.900 -0.011 0.000 1.186 320 G CA 1.120 46.209 45.100 -0.019 0.000 0.779 320 G HN 0.799 nan 8.290 nan 0.000 0.543 321 E N 0.268 120.464 120.200 -0.007 0.000 2.204 321 E HA -0.121 4.228 4.350 -0.000 0.000 0.195 321 E C 2.205 178.804 176.600 -0.001 0.000 0.990 321 E CA 0.731 57.132 56.400 0.001 0.000 0.821 321 E CB -0.223 29.484 29.700 0.011 0.000 0.750 321 E HN 0.391 nan 8.360 nan 0.000 0.477 322 R N 0.356 120.850 120.500 -0.010 0.000 2.334 322 R HA 0.121 4.460 4.340 -0.000 0.000 0.216 322 R C -0.296 176.005 176.300 0.002 0.000 0.905 322 R CA 0.419 56.517 56.100 -0.003 0.000 1.064 322 R CB -0.078 30.217 30.300 -0.009 0.000 1.046 322 R HN 0.233 nan 8.270 nan 0.000 0.508 323 N N 0.362 119.060 118.700 -0.004 0.000 2.714 323 N HA -0.234 4.506 4.740 -0.000 0.000 0.252 323 N C -0.802 174.708 175.510 0.000 0.000 1.014 323 N CA 0.418 53.467 53.050 -0.002 0.000 0.735 323 N CB -0.793 37.696 38.487 0.003 0.000 0.924 323 N HN 0.274 nan 8.380 nan 0.000 0.540 324 A N 0.054 122.869 122.820 -0.008 0.000 2.366 324 A HA 0.473 4.793 4.320 -0.000 0.000 0.272 324 A C 1.566 179.138 177.584 -0.019 0.000 1.135 324 A CA 0.148 52.183 52.037 -0.004 0.000 0.804 324 A CB 0.420 19.413 19.000 -0.012 0.000 1.064 324 A HN 0.439 nan 8.150 nan 0.000 0.499 325 T N -0.882 113.667 114.554 -0.009 0.000 3.043 325 T HA 0.146 4.496 4.350 -0.000 0.000 0.263 325 T C 0.697 175.366 174.700 -0.052 0.000 1.094 325 T CA 1.105 63.193 62.100 -0.020 0.000 1.127 325 T CB -0.497 68.367 68.868 -0.005 0.000 0.905 325 T HN 1.128 nan 8.240 nan 0.000 0.490 326 T N -0.426 114.074 114.554 -0.090 0.000 2.916 326 T HA 0.701 5.051 4.350 -0.000 0.000 0.298 326 T C -1.032 173.428 174.700 -0.399 0.000 1.031 326 T CA -0.772 61.172 62.100 -0.259 0.000 0.993 326 T CB 2.041 70.728 68.868 -0.302 0.000 1.045 326 T HN 0.013 nan 8.240 nan 0.000 0.454 327 V N 3.167 122.817 119.914 -0.440 0.000 2.628 327 V HA 0.618 4.738 4.120 -0.000 0.000 0.306 327 V C -1.283 174.520 176.094 -0.486 0.000 1.045 327 V CA -0.887 61.210 62.300 -0.337 0.000 0.905 327 V CB 1.446 33.180 31.823 -0.148 0.000 0.997 327 V HN 0.939 nan 8.190 nan 0.000 0.436 328 Y N 1.379 121.688 120.300 0.015 0.000 2.485 328 Y HA 0.691 5.241 4.550 -0.000 0.000 0.345 328 Y C 0.287 176.233 175.900 0.076 0.000 0.998 328 Y CA -0.704 57.244 58.100 -0.253 0.000 1.059 328 Y CB 2.263 40.156 38.460 -0.945 0.000 1.234 328 Y HN 0.515 nan 8.280 nan 0.000 0.461 329 S N 2.945 118.822 115.700 0.295 0.000 2.614 329 S HA 0.598 5.068 4.470 -0.000 0.000 0.288 329 S C -1.016 173.942 174.600 0.596 0.000 1.137 329 S CA -0.551 57.966 58.200 0.528 0.000 0.992 329 S CB 0.323 63.868 63.200 0.575 0.000 1.026 329 S HN 0.590 nan 8.310 nan 0.000 0.486 330 I N 3.729 124.720 120.570 0.701 0.000 2.474 330 I HA 0.298 4.468 4.170 -0.000 0.000 0.287 330 I C 0.559 176.806 176.117 0.217 0.000 1.048 330 I CA -0.097 61.510 61.300 0.511 0.000 1.383 330 I CB 0.960 39.293 38.000 0.555 0.000 1.412 330 I HN 0.631 nan 8.210 nan 0.000 0.531 331 E N 5.891 126.196 120.200 0.174 0.000 2.165 331 E HA 0.698 5.048 4.350 -0.000 0.000 0.266 331 E C -1.481 175.254 176.600 0.226 0.000 0.889 331 E CA -0.630 55.851 56.400 0.135 0.000 0.756 331 E CB 1.633 31.496 29.700 0.271 0.000 1.131 331 E HN 0.726 nan 8.360 nan 0.000 0.411 332 A N 2.913 125.826 122.820 0.155 0.000 2.539 332 A HA 0.722 5.042 4.320 -0.000 0.000 0.296 332 A C -0.617 177.059 177.584 0.153 0.000 1.073 332 A CA -0.611 51.554 52.037 0.213 0.000 0.700 332 A CB 1.883 20.959 19.000 0.127 0.000 1.296 332 A HN 0.602 nan 8.150 nan 0.000 0.405 333 T N -1.341 113.274 114.554 0.102 0.000 2.906 333 T HA 0.685 5.034 4.350 -0.000 0.000 0.295 333 T C -1.212 173.508 174.700 0.034 0.000 1.075 333 T CA -0.592 61.460 62.100 -0.080 0.000 1.005 333 T CB 1.415 69.936 68.868 -0.579 0.000 1.136 333 T HN 1.480 nan 8.240 nan 0.000 0.498 334 L N 2.372 123.624 121.223 0.048 0.000 2.372 334 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 334 L C -1.083 175.863 176.870 0.126 0.000 0.989 334 L CA -0.541 54.360 54.840 0.101 0.000 0.841 334 L CB 1.274 43.407 42.059 0.123 0.000 1.225 334 L HN 0.671 nan 8.230 nan 0.000 0.414 335 N N 4.168 122.904 118.700 0.061 0.000 2.530 335 N HA 0.451 5.190 4.740 -0.000 0.000 0.273 335 N C -0.941 174.634 175.510 0.108 0.000 1.173 335 N CA 0.164 53.206 53.050 -0.013 0.000 0.967 335 N CB 0.939 39.326 38.487 -0.166 0.000 1.109 335 N HN 0.663 nan 8.380 nan 0.000 0.453 345 A N 0.344 123.123 122.820 -0.068 0.000 1.898 345 A HA 0.194 4.514 4.320 -0.000 0.000 0.216 345 A C 2.017 179.548 177.584 -0.089 0.000 1.181 345 A CA 2.117 54.118 52.037 -0.061 0.000 0.620 345 A CB -0.878 18.093 19.000 -0.048 0.000 0.819 345 A HN 0.856 nan 8.150 nan 0.000 0.442 346 V N 0.797 120.606 119.914 -0.175 0.000 2.343 346 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 346 V C 2.185 178.213 176.094 -0.110 0.000 1.051 346 V CA 2.268 64.435 62.300 -0.221 0.000 1.036 346 V CB -0.936 30.576 31.823 -0.517 0.000 0.654 346 V HN 0.472 nan 8.190 nan 0.000 0.451 347 D N -0.326 120.019 120.400 -0.091 0.000 2.106 347 D HA -0.224 4.416 4.640 -0.000 0.000 0.191 347 D C 2.231 178.525 176.300 -0.010 0.000 0.997 347 D CA 1.720 55.699 54.000 -0.036 0.000 0.834 347 D CB -0.240 40.542 40.800 -0.030 0.000 0.956 347 D HN 0.400 nan 8.370 nan 0.000 0.448 348 Q N 0.761 120.551 119.800 -0.016 0.000 2.083 348 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 348 Q C 1.899 177.905 176.000 0.010 0.000 0.969 348 Q CA 1.506 57.309 55.803 -0.001 0.000 0.838 348 Q CB -0.249 28.487 28.738 -0.004 0.000 0.900 348 Q HN 0.417 nan 8.270 nan 0.000 0.436 349 E N -0.747 119.455 120.200 0.003 0.000 2.058 349 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 349 E C 1.827 178.454 176.600 0.044 0.000 0.997 349 E CA 1.308 57.720 56.400 0.020 0.000 0.801 349 E CB -0.253 29.455 29.700 0.013 0.000 0.746 349 E HN 0.344 nan 8.360 nan 0.000 0.450 350 L N 0.814 122.065 121.223 0.046 0.000 2.017 350 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 350 L C 2.304 179.230 176.870 0.094 0.000 1.073 350 L CA 2.256 57.149 54.840 0.089 0.000 0.745 350 L CB -0.816 41.299 42.059 0.092 0.000 0.894 350 L HN 0.215 nan 8.230 nan 0.000 0.432 351 A N -1.589 121.269 122.820 0.065 0.000 1.908 351 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 351 A C 2.413 180.025 177.584 0.047 0.000 1.181 351 A CA 2.076 54.147 52.037 0.057 0.000 0.627 351 A CB -0.984 18.037 19.000 0.035 0.000 0.818 351 A HN 0.532 nan 8.150 nan 0.000 0.445 352 S N -0.573 115.152 115.700 0.041 0.000 2.356 352 S HA -0.132 4.338 4.470 -0.000 0.000 0.223 352 S C 1.930 176.557 174.600 0.044 0.000 1.032 352 S CA 1.488 59.709 58.200 0.034 0.000 1.005 352 S CB -0.461 62.758 63.200 0.031 0.000 0.867 352 S HN 0.369 nan 8.310 nan 0.000 0.449 353 V N 2.411 122.365 119.914 0.066 0.000 2.295 353 V HA -0.140 3.979 4.120 -0.000 0.000 0.246 353 V C 2.163 178.303 176.094 0.077 0.000 1.049 353 V CA 1.475 63.824 62.300 0.082 0.000 1.024 353 V CB -0.802 31.092 31.823 0.118 0.000 0.648 353 V HN 0.441 nan 8.190 nan 0.000 0.447 354 L N 0.630 121.904 121.223 0.085 0.000 2.131 354 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 354 L C 2.594 179.481 176.870 0.029 0.000 1.092 354 L CA 1.582 56.460 54.840 0.064 0.000 0.759 354 L CB -1.247 40.872 42.059 0.100 0.000 0.903 354 L HN 0.500 nan 8.230 nan 0.000 0.435 355 G N -0.074 108.733 108.800 0.012 0.000 2.498 355 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 355 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 355 G C 1.633 176.514 174.900 -0.032 0.000 1.119 355 G CA 1.180 46.264 45.100 -0.026 0.000 0.766 355 G HN 0.482 nan 8.290 nan 0.000 0.552 356 T N -1.340 113.210 114.554 -0.005 0.000 3.088 356 T HA 0.365 4.715 4.350 -0.000 0.000 0.259 356 T C 1.015 175.713 174.700 -0.003 0.000 1.122 356 T CA -0.112 61.987 62.100 -0.002 0.000 1.095 356 T CB -0.073 68.805 68.868 0.017 0.000 0.930 356 T HN 0.107 nan 8.240 nan 0.000 0.508 357 L N 0.336 121.552 121.223 -0.012 0.000 2.416 357 L HA 0.564 4.904 4.340 -0.000 0.000 0.263 357 L C 0.564 177.383 176.870 -0.086 0.000 1.065 357 L CA -0.990 53.864 54.840 0.022 0.000 0.798 357 L CB 1.414 43.544 42.059 0.119 0.000 1.267 357 L HN -0.045 nan 8.230 nan 0.000 0.467 358 S N -1.286 114.422 115.700 0.014 0.000 2.902 358 S HA 0.207 4.676 4.470 -0.000 0.000 0.250 358 S C -0.439 174.103 174.600 -0.097 0.000 1.046 358 S CA -0.591 57.574 58.200 -0.059 0.000 1.069 358 S CB -0.165 63.072 63.200 0.062 0.000 0.967 358 S HN 0.462 nan 8.310 nan 0.000 0.530 359 Y N 0.062 120.189 120.300 -0.288 0.000 2.385 359 Y HA 0.516 5.066 4.550 -0.000 0.000 0.346 359 Y C 0.186 175.892 175.900 -0.325 0.000 1.270 359 Y CA -1.212 56.417 58.100 -0.784 0.000 1.472 359 Y CB -0.137 37.883 38.460 -0.734 0.000 1.354 359 Y HN -0.101 nan 8.280 nan 0.000 0.611 360 V N 2.518 122.377 119.914 -0.091 0.000 2.485 360 V HA -0.031 4.089 4.120 -0.000 0.000 0.287 360 V C 0.392 176.616 176.094 0.217 0.000 1.022 360 V CA -0.265 62.050 62.300 0.025 0.000 1.067 360 V CB -0.196 31.598 31.823 -0.049 0.000 0.967 360 V HN 0.762 nan 8.190 nan 0.000 0.479 361 E N 4.082 124.310 120.200 0.046 0.000 2.529 361 E HA 0.312 4.662 4.350 -0.000 0.000 0.259 361 E C 1.200 177.908 176.600 0.179 0.000 0.966 361 E CA 1.353 57.784 56.400 0.052 0.000 0.937 361 E CB 0.272 29.951 29.700 -0.036 0.000 0.923 361 E HN 0.962 nan 8.360 nan 0.000 0.468 362 G N 3.474 112.315 108.800 0.069 0.000 2.195 362 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 362 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 362 G C 0.359 174.947 174.900 -0.520 0.000 0.984 362 G CA 0.149 45.131 45.100 -0.197 0.000 0.633 362 G HN 0.453 nan 8.290 nan 0.000 0.525 363 F N 1.714 121.646 119.950 -0.030 0.000 2.928 363 F HA 0.701 5.228 4.527 -0.000 0.000 0.337 363 F C 0.904 176.647 175.800 -0.095 0.000 1.259 363 F CA -0.110 57.833 58.000 -0.094 0.000 1.267 363 F CB 1.009 40.124 39.000 0.191 0.000 0.986 363 F HN 0.396 nan 8.300 nan 0.000 0.507 364 A N 0.595 123.305 122.820 -0.183 0.000 2.271 364 A HA 0.737 5.057 4.320 -0.000 0.000 0.317 364 A C -1.071 176.369 177.584 -0.240 0.000 1.245 364 A CA -0.243 51.775 52.037 -0.033 0.000 0.857 364 A CB 0.148 19.156 19.000 0.013 0.000 1.175 364 A HN 0.263 nan 8.150 nan 0.000 0.512 365 F N 1.015 121.089 119.950 0.206 0.000 2.482 365 F HA 0.483 5.009 4.527 -0.000 0.000 0.331 365 F C 0.593 176.529 175.800 0.227 0.000 1.115 365 F CA -0.202 57.943 58.000 0.242 0.000 0.955 365 F CB 2.081 41.351 39.000 0.450 0.000 1.136 365 F HN 0.544 nan 8.300 nan 0.000 0.452 366 Q N 3.452 123.411 119.800 0.265 0.000 2.337 366 Q HA 0.606 4.946 4.340 -0.000 0.000 0.266 366 Q C -0.723 175.285 176.000 0.014 0.000 1.023 366 Q CA -1.007 54.896 55.803 0.167 0.000 0.829 366 Q CB 2.847 31.651 28.738 0.110 0.000 1.306 366 Q HN 0.636 nan 8.270 nan 0.000 0.449 367 R N 1.107 121.626 120.500 0.033 0.000 2.807 367 R HA 0.418 4.758 4.340 -0.000 0.000 0.276 367 R C -1.389 175.007 176.300 0.160 0.000 0.979 367 R CA -0.673 55.393 56.100 -0.057 0.000 0.928 367 R CB 1.863 31.958 30.300 -0.341 0.000 1.191 367 R HN 0.600 nan 8.270 nan 0.000 0.471 368 D N 2.161 122.647 120.400 0.143 0.000 2.620 368 D HA 0.352 4.992 4.640 -0.000 0.000 0.252 368 D C -1.055 175.354 176.300 0.182 0.000 1.207 368 D CA -0.334 53.786 54.000 0.200 0.000 0.884 368 D CB 1.777 42.682 40.800 0.176 0.000 1.262 368 D HN 0.328 nan 8.370 nan 0.000 0.552 369 V N -0.012 120.025 119.914 0.204 0.000 3.130 369 V HA 0.890 5.010 4.120 -0.000 0.000 0.310 369 V C -0.003 176.137 176.094 0.077 0.000 1.158 369 V CA -1.099 61.298 62.300 0.161 0.000 1.029 369 V CB 1.124 33.106 31.823 0.265 0.000 1.057 369 V HN 0.596 nan 8.190 nan 0.000 0.436 370 A N 0.651 123.501 122.820 0.049 0.000 2.498 370 A HA 0.403 4.723 4.320 -0.000 0.000 0.239 370 A C 0.566 178.175 177.584 0.041 0.000 1.068 370 A CA 0.189 52.236 52.037 0.017 0.000 0.766 370 A CB -0.356 18.648 19.000 0.006 0.000 1.003 370 A HN 1.359 nan 8.150 nan 0.000 0.497 371 Y N 2.702 122.935 120.300 -0.113 0.000 2.102 371 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 371 Y C 2.378 178.212 175.900 -0.110 0.000 1.178 371 Y CA 2.499 60.531 58.100 -0.113 0.000 1.146 371 Y CB -0.684 37.707 38.460 -0.115 0.000 0.968 371 Y HN 0.691 nan 8.280 nan 0.000 0.504 372 A N 0.123 122.829 122.820 -0.191 0.000 1.933 372 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 372 A C 2.466 179.876 177.584 -0.289 0.000 1.175 372 A CA 1.885 53.730 52.037 -0.321 0.000 0.628 372 A CB -1.423 17.472 19.000 -0.174 0.000 0.814 372 A HN 0.603 nan 8.150 nan 0.000 0.444 373 A N -1.053 121.673 122.820 -0.157 0.000 1.898 373 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 373 A C 2.025 179.507 177.584 -0.170 0.000 1.181 373 A CA 1.550 53.521 52.037 -0.109 0.000 0.620 373 A CB -0.696 18.301 19.000 -0.004 0.000 0.819 373 A HN 0.723 nan 8.150 nan 0.000 0.442 374 F N 0.734 120.464 119.950 -0.368 0.000 2.102 374 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 374 F C 1.859 177.264 175.800 -0.658 0.000 1.105 374 F CA 1.735 59.346 58.000 -0.649 0.000 1.239 374 F CB -0.346 38.191 39.000 -0.771 0.000 0.991 374 F HN 0.132 nan 8.300 nan 0.000 0.474 375 L N -0.139 120.597 121.223 -0.811 0.000 2.083 375 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 375 L C 1.352 177.781 176.870 -0.736 0.000 1.083 375 L CA 1.745 56.002 54.840 -0.971 0.000 0.752 375 L CB -0.651 40.714 42.059 -1.158 0.000 0.899 375 L HN 0.120 nan 8.230 nan 0.000 0.433 376 D N -0.480 119.600 120.400 -0.534 0.000 2.358 376 D HA -0.026 4.614 4.640 -0.000 0.000 0.224 376 D C 1.952 178.117 176.300 -0.225 0.000 1.123 376 D CA -0.094 53.698 54.000 -0.347 0.000 0.833 376 D CB 0.243 40.874 40.800 -0.281 0.000 0.946 376 D HN 0.183 nan 8.370 nan 0.000 0.505 377 R N -0.573 119.744 120.500 -0.305 0.000 2.117 377 R HA -0.134 4.205 4.340 -0.000 0.000 0.243 377 R C 1.276 177.566 176.300 -0.017 0.000 1.143 377 R CA 1.407 57.428 56.100 -0.132 0.000 0.968 377 R CB -0.852 29.343 30.300 -0.174 0.000 0.863 377 R HN 0.101 nan 8.270 nan 0.000 0.444 378 V N 1.112 121.017 119.914 -0.015 0.000 2.871 378 V HA -0.162 3.958 4.120 -0.000 0.000 0.256 378 V C 2.334 178.480 176.094 0.086 0.000 1.082 378 V CA 1.868 64.237 62.300 0.116 0.000 1.105 378 V CB -0.854 31.130 31.823 0.268 0.000 0.713 378 V HN 0.476 nan 8.190 nan 0.000 0.473 379 H N 1.572 120.591 119.070 -0.085 0.000 2.352 379 H HA -0.127 4.428 4.556 -0.000 0.000 0.299 379 H C 2.235 177.482 175.328 -0.134 0.000 1.097 379 H CA 2.019 57.978 56.048 -0.149 0.000 1.311 379 H CB -0.542 29.105 29.762 -0.191 0.000 1.377 379 H HN 0.338 nan 8.280 nan 0.000 0.504 380 G N -0.143 108.570 108.800 -0.145 0.000 2.422 380 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 380 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 380 G C 1.595 176.409 174.900 -0.143 0.000 1.146 380 G CA 0.832 45.838 45.100 -0.156 0.000 0.769 380 G HN 0.543 nan 8.290 nan 0.000 0.547 381 E N -0.012 120.147 120.200 -0.068 0.000 2.077 381 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 381 E C 2.288 178.826 176.600 -0.105 0.000 0.989 381 E CA 1.067 57.468 56.400 0.002 0.000 0.800 381 E CB -0.114 29.665 29.700 0.131 0.000 0.746 381 E HN 0.672 nan 8.360 nan 0.000 0.452 382 E N 0.693 120.658 120.200 -0.392 0.000 2.051 382 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 382 E C 2.115 178.377 176.600 -0.563 0.000 0.991 382 E CA 1.350 57.191 56.400 -0.932 0.000 0.799 382 E CB 0.103 29.000 29.700 -1.339 0.000 0.748 382 E HN 0.038 nan 8.360 nan 0.000 0.449 383 V N 1.416 121.038 119.914 -0.486 0.000 2.287 383 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 383 V C 2.520 178.516 176.094 -0.164 0.000 1.053 383 V CA 1.997 64.097 62.300 -0.334 0.000 1.027 383 V CB -0.930 30.679 31.823 -0.355 0.000 0.646 383 V HN 0.496 nan 8.190 nan 0.000 0.447 384 A N -0.404 122.346 122.820 -0.116 0.000 1.873 384 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 384 A C 2.216 179.816 177.584 0.027 0.000 1.186 384 A CA 1.797 53.817 52.037 -0.029 0.000 0.616 384 A CB -0.553 18.444 19.000 -0.005 0.000 0.823 384 A HN 0.490 nan 8.150 nan 0.000 0.442 385 L N -0.555 120.712 121.223 0.072 0.000 2.093 385 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 385 L C 2.453 179.439 176.870 0.193 0.000 1.085 385 L CA 1.500 56.453 54.840 0.188 0.000 0.755 385 L CB -0.508 41.780 42.059 0.382 0.000 0.904 385 L HN 0.473 nan 8.230 nan 0.000 0.435 386 N N 0.269 119.048 118.700 0.131 0.000 2.223 386 N HA -0.184 4.556 4.740 -0.000 0.000 0.185 386 N C 1.734 177.291 175.510 0.077 0.000 1.016 386 N CA 1.233 54.359 53.050 0.128 0.000 0.863 386 N CB 0.080 38.576 38.487 0.016 0.000 0.983 386 N HN 0.159 nan 8.380 nan 0.000 0.429 387 K N -0.336 120.087 120.400 0.039 0.000 2.097 387 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 387 K C 1.248 177.876 176.600 0.046 0.000 1.049 387 K CA 0.885 57.190 56.287 0.030 0.000 0.933 387 K CB -0.037 32.470 32.500 0.012 0.000 0.717 387 K HN 0.261 nan 8.250 nan 0.000 0.442 388 L N -0.304 120.958 121.223 0.064 0.000 2.591 388 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 388 L C 0.922 177.837 176.870 0.076 0.000 1.133 388 L CA 0.146 55.025 54.840 0.065 0.000 0.880 388 L CB 0.081 42.183 42.059 0.071 0.000 1.033 388 L HN 0.336 nan 8.230 nan 0.000 0.450 389 G N 0.791 109.646 108.800 0.092 0.000 2.198 389 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 389 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 389 G C 0.503 175.468 174.900 0.108 0.000 1.025 389 G CA 0.344 45.501 45.100 0.094 0.000 0.769 389 G HN 0.396 nan 8.290 nan 0.000 0.507 390 L N -1.502 119.816 121.223 0.158 0.000 2.728 390 L HA 0.319 4.659 4.340 -0.000 0.000 0.238 390 L C 2.039 179.066 176.870 0.261 0.000 1.143 390 L CA -0.536 54.401 54.840 0.163 0.000 0.937 390 L CB -0.040 42.112 42.059 0.155 0.000 1.225 390 L HN 0.499 nan 8.230 nan 0.000 0.507 391 W N 1.359 122.726 121.300 0.111 0.000 2.601 391 W HA 0.072 4.732 4.660 -0.000 0.000 0.292 391 W C 0.800 177.416 176.519 0.161 0.000 1.153 391 W CA 0.098 57.556 57.345 0.187 0.000 1.448 391 W CB 0.411 29.978 29.460 0.179 0.000 1.113 391 W HN -0.072 nan 8.180 nan 0.000 0.548 392 R N 1.989 122.608 120.500 0.199 0.000 4.164 392 R HA 0.101 4.441 4.340 -0.000 0.000 0.195 392 R C -0.126 176.081 176.300 -0.154 0.000 1.712 392 R CA -0.082 56.028 56.100 0.017 0.000 1.457 392 R CB -0.275 30.093 30.300 0.112 0.000 1.387 392 R HN -0.107 nan 8.270 nan 0.000 0.785 393 V N -2.016 117.658 119.914 -0.399 0.000 3.126 393 V HA 0.649 4.769 4.120 -0.000 0.000 0.314 393 V C -2.697 172.882 176.094 -0.857 0.000 1.138 393 V CA -3.539 58.475 62.300 -0.478 0.000 1.034 393 V CB 2.186 33.804 31.823 -0.341 0.000 1.075 393 V HN 0.112 nan 8.190 nan 0.000 0.442 394 P HA 0.257 nan 4.420 nan 0.000 0.265 394 P C -1.092 175.786 177.300 -0.704 0.000 1.193 394 P CA 0.583 63.362 63.100 -0.534 0.000 0.765 394 P CB -0.153 31.382 31.700 -0.274 0.000 0.823 395 H N 3.708 122.520 119.070 -0.431 0.000 2.530 395 H HA 0.223 4.779 4.556 -0.000 0.000 0.246 395 H C -1.884 173.303 175.328 -0.234 0.000 1.346 395 H CA -1.912 53.849 56.048 -0.478 0.000 1.424 395 H CB 0.402 29.419 29.762 -1.241 0.000 1.445 395 H HN 0.305 nan 8.280 nan 0.000 0.511 396 P HA -0.054 nan 4.420 nan 0.000 0.226 396 P C -0.631 176.945 177.300 0.459 0.000 1.783 396 P CA -0.289 62.926 63.100 0.190 0.000 0.980 396 P CB -0.222 31.546 31.700 0.112 0.000 1.967 397 W N 1.654 123.050 121.300 0.160 0.000 2.216 397 W HA 0.273 4.933 4.660 -0.000 0.000 0.326 397 W C 0.330 176.921 176.519 0.120 0.000 1.319 397 W CA -0.380 57.052 57.345 0.145 0.000 1.213 397 W CB 0.093 29.607 29.460 0.090 0.000 1.171 397 W HN 0.086 nan 8.180 nan 0.000 0.557 398 L N 5.683 127.090 121.223 0.306 0.000 2.319 398 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 398 L C -0.645 176.278 176.870 0.089 0.000 1.005 398 L CA -0.286 54.668 54.840 0.190 0.000 0.828 398 L CB 0.316 42.516 42.059 0.236 0.000 1.227 398 L HN 0.290 nan 8.230 nan 0.000 0.415 399 N N 7.427 126.162 118.700 0.058 0.000 2.314 399 N HA 0.712 5.452 4.740 -0.000 0.000 0.294 399 N C -1.026 174.447 175.510 -0.061 0.000 1.029 399 N CA -0.447 52.605 53.050 0.003 0.000 0.845 399 N CB 2.272 40.794 38.487 0.057 0.000 1.321 399 N HN 0.696 nan 8.380 nan 0.000 0.481 400 M N -0.858 118.641 119.600 -0.169 0.000 2.721 400 M HA 0.585 5.065 4.480 -0.000 0.000 0.271 400 M C -1.944 174.141 176.300 -0.359 0.000 1.259 400 M CA -0.778 54.391 55.300 -0.218 0.000 0.835 400 M CB 1.879 34.434 32.600 -0.076 0.000 1.689 400 M HN 0.034 nan 8.290 nan 0.000 0.470 401 F N 1.269 121.235 119.950 0.026 0.000 2.411 401 F HA 0.675 5.202 4.527 -0.000 0.000 0.352 401 F C -0.464 175.331 175.800 -0.009 0.000 1.123 401 F CA -0.869 57.118 58.000 -0.021 0.000 1.044 401 F CB 1.949 40.809 39.000 -0.233 0.000 1.135 401 F HN 0.297 nan 8.300 nan 0.000 0.461 402 V N 5.743 125.780 119.914 0.206 0.000 2.384 402 V HA 0.404 4.524 4.120 -0.000 0.000 0.287 402 V C -2.094 174.132 176.094 0.220 0.000 1.020 402 V CA -2.218 60.148 62.300 0.109 0.000 0.850 402 V CB 1.689 33.419 31.823 -0.155 0.000 0.987 402 V HN 0.478 nan 8.190 nan 0.000 0.436 403 P HA 0.041 nan 4.420 nan 0.000 0.266 403 P C 0.657 178.088 177.300 0.219 0.000 1.195 403 P CA -0.008 63.206 63.100 0.191 0.000 0.768 403 P CB 0.887 32.647 31.700 0.100 0.000 0.838 404 R N 3.252 123.913 120.500 0.268 0.000 2.103 404 R HA -0.174 4.165 4.340 -0.000 0.000 0.242 404 R C 1.972 178.375 176.300 0.173 0.000 1.142 404 R CA 2.507 58.785 56.100 0.296 0.000 0.960 404 R CB -0.745 29.706 30.300 0.250 0.000 0.858 404 R HN 0.581 nan 8.270 nan 0.000 0.439 405 S N -0.250 115.527 115.700 0.127 0.000 2.469 405 S HA -0.051 4.419 4.470 -0.000 0.000 0.238 405 S C 1.343 175.995 174.600 0.087 0.000 0.998 405 S CA 0.656 58.912 58.200 0.092 0.000 0.957 405 S CB 0.034 63.276 63.200 0.068 0.000 0.764 405 S HN 0.342 nan 8.310 nan 0.000 0.514 406 R N -0.516 120.042 120.500 0.097 0.000 2.508 406 R HA 0.433 4.773 4.340 -0.000 0.000 0.300 406 R C 1.212 177.581 176.300 0.115 0.000 0.970 406 R CA -0.153 56.005 56.100 0.098 0.000 1.102 406 R CB -0.868 29.486 30.300 0.091 0.000 1.246 406 R HN 0.426 nan 8.270 nan 0.000 0.539 407 I N 1.550 122.166 120.570 0.078 0.000 2.315 407 I HA -0.134 4.035 4.170 -0.000 0.000 0.248 407 I C 2.012 178.180 176.117 0.085 0.000 1.117 407 I CA 1.259 62.569 61.300 0.016 0.000 1.404 407 I CB -0.086 37.725 38.000 -0.315 0.000 1.071 407 I HN 0.156 nan 8.210 nan 0.000 0.419 408 A N -0.188 122.729 122.820 0.162 0.000 1.902 408 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 408 A C 2.019 179.600 177.584 -0.005 0.000 1.181 408 A CA 2.012 54.113 52.037 0.107 0.000 0.623 408 A CB -0.824 18.296 19.000 0.200 0.000 0.818 408 A HN 0.443 nan 8.150 nan 0.000 0.443 409 D N -1.046 119.401 120.400 0.079 0.000 2.117 409 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 409 D C 1.621 178.027 176.300 0.178 0.000 0.987 409 D CA 1.205 55.279 54.000 0.124 0.000 0.829 409 D CB -0.476 40.405 40.800 0.136 0.000 0.961 409 D HN 0.480 nan 8.370 nan 0.000 0.460 410 F N 1.533 121.493 119.950 0.016 0.000 2.095 410 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 410 F C 2.053 177.618 175.800 -0.391 0.000 1.104 410 F CA 1.865 59.829 58.000 -0.059 0.000 1.232 410 F CB -0.102 38.831 39.000 -0.111 0.000 0.987 410 F HN -0.135 nan 8.300 nan 0.000 0.475 411 D N -0.405 119.848 120.400 -0.245 0.000 2.104 411 D HA -0.204 4.435 4.640 -0.000 0.000 0.194 411 D C 2.322 178.430 176.300 -0.320 0.000 0.994 411 D CA 1.641 55.405 54.000 -0.394 0.000 0.830 411 D CB -0.118 40.072 40.800 -1.017 0.000 0.959 411 D HN 0.213 nan 8.370 nan 0.000 0.452 412 R N -0.620 119.727 120.500 -0.256 0.000 2.083 412 R HA -0.027 4.313 4.340 -0.000 0.000 0.237 412 R C 2.502 178.597 176.300 -0.340 0.000 1.137 412 R CA 1.460 57.446 56.100 -0.189 0.000 0.951 412 R CB -0.537 29.715 30.300 -0.081 0.000 0.851 412 R HN 0.300 nan 8.270 nan 0.000 0.434 413 G N -0.727 107.719 108.800 -0.590 0.000 2.430 413 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.216 413 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.216 413 G C 1.243 175.449 174.900 -1.157 0.000 1.146 413 G CA 0.479 44.858 45.100 -1.202 0.000 0.793 413 G HN 0.139 nan 8.290 nan 0.000 0.537 414 V N -0.372 118.892 119.914 -1.084 0.000 2.721 414 V HA 0.220 4.340 4.120 -0.000 0.000 0.236 414 V C 2.194 177.975 176.094 -0.521 0.000 1.116 414 V CA 0.513 62.233 62.300 -0.966 0.000 1.148 414 V CB -0.619 30.293 31.823 -1.520 0.000 0.886 414 V HN 0.182 nan 8.190 nan 0.000 0.490 415 F N 1.202 120.990 119.950 -0.270 0.000 2.163 415 F HA 0.069 4.596 4.527 -0.000 0.000 0.297 415 F C 2.167 177.894 175.800 -0.121 0.000 1.094 415 F CA 1.011 58.936 58.000 -0.124 0.000 1.290 415 F CB -0.615 38.374 39.000 -0.018 0.000 1.017 415 F HN 0.073 nan 8.300 nan 0.000 0.483 416 K N -0.594 119.814 120.400 0.013 0.000 2.393 416 K HA 0.204 4.524 4.320 -0.000 0.000 0.193 416 K C 1.705 178.248 176.600 -0.095 0.000 1.026 416 K CA 0.501 56.776 56.287 -0.021 0.000 1.064 416 K CB 0.104 32.597 32.500 -0.012 0.000 0.833 416 K HN 0.321 nan 8.250 nan 0.000 0.521 417 G N 0.752 109.441 108.800 -0.184 0.000 2.560 417 G HA2 0.044 4.004 3.960 -0.000 0.000 0.212 417 G HA3 0.044 4.004 3.960 -0.000 0.000 0.212 417 G C 1.108 175.888 174.900 -0.200 0.000 2.038 417 G CA -0.354 44.614 45.100 -0.221 0.000 0.728 417 G HN -0.033 nan 8.290 nan 0.000 0.784 418 I N 1.108 121.510 120.570 -0.280 0.000 2.151 418 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 418 I C 2.578 178.614 176.117 -0.136 0.000 1.080 418 I CA 1.108 62.276 61.300 -0.219 0.000 1.339 418 I CB -0.124 37.709 38.000 -0.280 0.000 1.039 418 I HN 0.103 nan 8.210 nan 0.000 0.409 419 L N -0.282 120.883 121.223 -0.097 0.000 2.395 419 L HA -0.059 4.281 4.340 -0.000 0.000 0.218 419 L C 0.976 177.847 176.870 0.001 0.000 1.130 419 L CA 0.104 54.942 54.840 -0.004 0.000 0.826 419 L CB -0.450 41.679 42.059 0.118 0.000 0.941 419 L HN 0.273 nan 8.230 nan 0.000 0.451 420 Q N 0.696 120.480 119.800 -0.026 0.000 2.361 420 Q HA 0.111 4.451 4.340 -0.000 0.000 0.276 420 Q C 1.112 177.098 176.000 -0.024 0.000 1.022 420 Q CA 1.082 56.873 55.803 -0.020 0.000 0.898 420 Q CB 0.614 29.332 28.738 -0.033 0.000 1.246 420 Q HN 0.405 nan 8.270 nan 0.000 0.410 421 G N 1.754 110.546 108.800 -0.014 0.000 2.147 421 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 421 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 421 G C 0.170 175.062 174.900 -0.013 0.000 1.005 421 G CA 0.584 45.675 45.100 -0.015 0.000 0.713 421 G HN 0.807 nan 8.290 nan 0.000 0.515 422 T N -2.559 111.993 114.554 -0.002 0.000 2.916 422 T HA 0.606 4.956 4.350 -0.000 0.000 0.292 422 T C -1.013 173.703 174.700 0.026 0.000 1.055 422 T CA -0.672 61.429 62.100 0.002 0.000 1.009 422 T CB 2.521 71.382 68.868 -0.011 0.000 1.118 422 T HN -0.081 nan 8.240 nan 0.000 0.497 423 D N 1.819 122.236 120.400 0.028 0.000 2.393 423 D HA 0.380 5.020 4.640 -0.000 0.000 0.232 423 D C -0.260 176.088 176.300 0.080 0.000 1.192 423 D CA -0.097 53.932 54.000 0.047 0.000 0.882 423 D CB 0.279 41.101 40.800 0.037 0.000 1.038 423 D HN 0.498 nan 8.370 nan 0.000 0.499 424 I N 2.084 122.719 120.570 0.108 0.000 2.395 424 I HA 0.135 4.304 4.170 -0.000 0.000 0.289 424 I C -0.173 176.029 176.117 0.143 0.000 1.023 424 I CA -0.455 60.946 61.300 0.168 0.000 1.350 424 I CB 1.271 39.380 38.000 0.182 0.000 1.409 424 I HN -0.034 nan 8.210 nan 0.000 0.507 425 V N 5.975 125.991 119.914 0.171 0.000 2.444 425 V HA 0.886 5.006 4.120 -0.000 0.000 0.294 425 V C 0.192 176.371 176.094 0.142 0.000 1.022 425 V CA -0.425 61.962 62.300 0.145 0.000 0.850 425 V CB 1.004 32.909 31.823 0.137 0.000 0.992 425 V HN 1.046 nan 8.190 nan 0.000 0.426 426 G N 6.243 115.101 108.800 0.097 0.000 2.576 426 G HA2 0.031 3.991 3.960 -0.000 0.000 0.686 426 G HA3 0.031 3.991 3.960 -0.000 0.000 0.686 426 G C -3.208 171.640 174.900 -0.088 0.000 1.242 426 G CA -0.916 44.202 45.100 0.030 0.000 0.819 426 G HN 0.612 nan 8.290 nan 0.000 0.655 427 P HA 0.469 nan 4.420 nan 0.000 0.271 427 P C -0.102 177.011 177.300 -0.312 0.000 1.218 427 P CA -0.238 62.749 63.100 -0.189 0.000 0.780 427 P CB 0.757 32.385 31.700 -0.120 0.000 0.901 428 L N 3.574 124.599 121.223 -0.329 0.000 2.295 428 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 428 L C 0.263 177.003 176.870 -0.216 0.000 1.018 428 L CA -0.532 54.131 54.840 -0.295 0.000 0.841 428 L CB 0.593 42.472 42.059 -0.299 0.000 1.218 428 L HN 0.226 nan 8.230 nan 0.000 0.424 429 I N 3.731 124.246 120.570 -0.092 0.000 2.412 429 I HA 0.544 4.714 4.170 -0.000 0.000 0.296 429 I C -0.481 175.728 176.117 0.154 0.000 0.987 429 I CA -0.806 60.529 61.300 0.058 0.000 1.180 429 I CB 2.150 40.219 38.000 0.115 0.000 1.340 429 I HN 0.205 nan 8.210 nan 0.000 0.455 430 V N 7.058 127.145 119.914 0.289 0.000 2.711 430 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 430 V C -1.367 175.017 176.094 0.484 0.000 1.097 430 V CA -0.696 61.815 62.300 0.352 0.000 0.906 430 V CB 1.640 33.743 31.823 0.465 0.000 1.015 430 V HN 0.696 nan 8.190 nan 0.000 0.427 431 Y N 3.955 124.429 120.300 0.290 0.000 2.565 431 Y HA 0.822 5.372 4.550 -0.000 0.000 0.330 431 Y C -3.283 172.474 175.900 -0.238 0.000 1.150 431 Y CA -2.596 55.535 58.100 0.052 0.000 1.055 431 Y CB 1.876 40.309 38.460 -0.045 0.000 1.337 431 Y HN 0.421 nan 8.280 nan 0.000 0.457 432 P HA 0.424 nan 4.420 nan 0.000 0.278 432 P C -1.035 176.026 177.300 -0.398 0.000 1.238 432 P CA -0.116 62.434 63.100 -0.916 0.000 0.794 432 P CB 2.151 33.267 31.700 -0.973 0.000 0.955 433 L N 2.217 123.119 121.223 -0.535 0.000 2.354 433 L HA 0.470 4.810 4.340 -0.000 0.000 0.264 433 L C 0.287 176.833 176.870 -0.541 0.000 1.008 433 L CA -0.842 53.739 54.840 -0.432 0.000 0.819 433 L CB 1.902 43.623 42.059 -0.564 0.000 1.339 433 L HN 0.234 nan 8.230 nan 0.000 0.420 434 N N 1.563 120.140 118.700 -0.204 0.000 2.437 434 N HA 0.154 4.893 4.740 -0.000 0.000 0.259 434 N C 0.352 175.875 175.510 0.021 0.000 0.983 434 N CA -0.334 52.667 53.050 -0.082 0.000 0.937 434 N CB 2.355 40.928 38.487 0.144 0.000 1.122 434 N HN 0.574 nan 8.380 nan 0.000 0.499 435 K N 1.335 121.719 120.400 -0.028 0.000 2.152 435 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 435 K C 1.662 178.418 176.600 0.260 0.000 1.048 435 K CA 1.425 57.819 56.287 0.177 0.000 0.933 435 K CB 0.127 32.743 32.500 0.194 0.000 0.721 435 K HN 0.567 nan 8.250 nan 0.000 0.447 436 S N 0.020 115.833 115.700 0.189 0.000 2.440 436 S HA -0.141 4.328 4.470 -0.000 0.000 0.238 436 S C 1.611 176.325 174.600 0.190 0.000 1.010 436 S CA 0.995 59.297 58.200 0.171 0.000 0.972 436 S CB -0.115 63.169 63.200 0.140 0.000 0.774 436 S HN 0.217 nan 8.310 nan 0.000 0.501 437 M N -0.331 119.407 119.600 0.230 0.000 2.495 437 M HA 0.373 4.853 4.480 -0.000 0.000 0.237 437 M C -0.824 175.502 176.300 0.043 0.000 1.131 437 M CA -0.433 54.933 55.300 0.110 0.000 1.032 437 M CB -1.022 31.581 32.600 0.004 0.000 1.513 437 M HN 0.382 nan 8.290 nan 0.000 0.488 438 W N 0.497 121.816 121.300 0.031 0.000 2.551 438 W HA 0.345 5.004 4.660 -0.000 0.000 0.330 438 W C 0.081 176.629 176.519 0.049 0.000 1.063 438 W CA -0.826 56.543 57.345 0.040 0.000 1.222 438 W CB 0.637 30.132 29.460 0.059 0.000 1.349 438 W HN -0.082 nan 8.180 nan 0.000 0.536 439 D N 2.113 122.658 120.400 0.243 0.000 2.396 439 D HA 0.016 4.656 4.640 -0.000 0.000 0.225 439 D C 0.550 176.970 176.300 0.200 0.000 1.121 439 D CA 0.047 54.154 54.000 0.178 0.000 0.853 439 D CB 0.893 41.767 40.800 0.123 0.000 1.043 439 D HN 0.395 nan 8.370 nan 0.000 0.500 440 D N 2.010 122.513 120.400 0.172 0.000 2.350 440 D HA -0.021 4.619 4.640 -0.000 0.000 0.216 440 D C 1.946 178.328 176.300 0.138 0.000 0.968 440 D CA 0.800 54.889 54.000 0.149 0.000 0.894 440 D CB 0.145 41.008 40.800 0.106 0.000 0.909 440 D HN 0.610 nan 8.370 nan 0.000 0.520 441 G N -0.525 108.350 108.800 0.124 0.000 2.534 441 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.217 441 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.217 441 G C 0.785 175.753 174.900 0.114 0.000 1.128 441 G CA -0.026 45.139 45.100 0.108 0.000 0.784 441 G HN 0.216 nan 8.290 nan 0.000 0.542 442 M N 0.235 119.916 119.600 0.135 0.000 2.227 442 M HA 0.204 4.684 4.480 -0.000 0.000 0.316 442 M C 1.698 178.134 176.300 0.228 0.000 1.144 442 M CA -0.368 55.013 55.300 0.136 0.000 1.121 442 M CB 1.409 34.077 32.600 0.114 0.000 1.440 442 M HN -0.063 nan 8.290 nan 0.000 0.473 443 S N 0.960 116.831 115.700 0.284 0.000 2.419 443 S HA 0.004 4.474 4.470 -0.000 0.000 0.233 443 S C 0.815 175.759 174.600 0.574 0.000 1.016 443 S CA 0.600 59.087 58.200 0.479 0.000 0.974 443 S CB -0.336 63.259 63.200 0.659 0.000 0.786 443 S HN 0.783 nan 8.310 nan 0.000 0.492 444 A N 1.371 124.474 122.820 0.471 0.000 2.540 444 A HA 0.517 4.837 4.320 -0.000 0.000 0.239 444 A C 0.303 178.088 177.584 0.334 0.000 1.061 444 A CA 0.126 52.450 52.037 0.479 0.000 0.758 444 A CB -0.036 19.281 19.000 0.528 0.000 0.991 444 A HN 0.438 nan 8.150 nan 0.000 0.502 445 A N 2.901 125.842 122.820 0.202 0.000 2.288 445 A HA 0.738 5.058 4.320 -0.000 0.000 0.320 445 A C 0.395 177.820 177.584 -0.265 0.000 1.217 445 A CA 0.178 52.162 52.037 -0.088 0.000 0.840 445 A CB 0.498 19.219 19.000 -0.464 0.000 1.179 445 A HN 1.593 nan 8.150 nan 0.000 0.504 446 T N 0.492 114.782 114.554 -0.441 0.000 2.906 446 T HA 0.777 5.127 4.350 -0.000 0.000 0.295 446 T C -3.044 171.226 174.700 -0.716 0.000 1.075 446 T CA -2.047 59.521 62.100 -0.887 0.000 1.005 446 T CB 1.392 69.396 68.868 -1.440 0.000 1.136 446 T HN 0.308 nan 8.240 nan 0.000 0.498 447 P HA 0.146 nan 4.420 nan 0.000 0.270 447 P C 0.950 178.048 177.300 -0.338 0.000 1.227 447 P CA -0.387 62.426 63.100 -0.478 0.000 0.788 447 P CB 0.383 31.852 31.700 -0.385 0.000 0.926 448 S N -1.496 114.107 115.700 -0.161 0.000 2.496 448 S HA -0.001 4.468 4.470 -0.000 0.000 0.224 448 S C 0.499 175.093 174.600 -0.010 0.000 0.996 448 S CA 0.237 58.389 58.200 -0.079 0.000 0.927 448 S CB -0.534 62.633 63.200 -0.054 0.000 0.774 448 S HN 0.429 nan 8.310 nan 0.000 0.524 449 E N 1.453 121.670 120.200 0.028 0.000 2.373 449 E HA 0.141 4.491 4.350 -0.000 0.000 0.263 449 E C 0.021 176.697 176.600 0.125 0.000 1.073 449 E CA -0.378 56.069 56.400 0.079 0.000 0.894 449 E CB 0.499 30.256 29.700 0.095 0.000 1.008 449 E HN 0.137 nan 8.360 nan 0.000 0.420 450 D N 0.431 120.879 120.400 0.081 0.000 2.182 450 D HA -0.080 4.559 4.640 -0.000 0.000 0.201 450 D C 0.175 176.487 176.300 0.021 0.000 0.986 450 D CA 1.039 55.077 54.000 0.063 0.000 0.847 450 D CB 0.221 41.045 40.800 0.040 0.000 0.942 450 D HN 0.024 nan 8.370 nan 0.000 0.467 451 V N 1.134 121.058 119.914 0.016 0.000 2.540 451 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 451 V C -0.504 175.596 176.094 0.010 0.000 1.035 451 V CA -0.928 61.308 62.300 -0.106 0.000 0.873 451 V CB 1.565 33.334 31.823 -0.090 0.000 0.992 451 V HN -0.003 nan 8.190 nan 0.000 0.428 452 F N 2.647 122.528 119.950 -0.115 0.000 2.613 452 F HA 0.816 5.343 4.527 -0.000 0.000 0.314 452 F C -1.529 174.220 175.800 -0.084 0.000 1.075 452 F CA -1.531 56.444 58.000 -0.041 0.000 0.945 452 F CB 1.371 40.305 39.000 -0.110 0.000 1.310 452 F HN 0.308 nan 8.300 nan 0.000 0.467 453 Y N 1.559 121.949 120.300 0.150 0.000 2.330 453 Y HA 0.647 5.197 4.550 -0.000 0.000 0.336 453 Y C 0.390 176.345 175.900 0.092 0.000 1.036 453 Y CA -1.023 57.089 58.100 0.020 0.000 1.125 453 Y CB 1.777 40.237 38.460 -0.000 0.000 1.194 453 Y HN 0.982 nan 8.280 nan 0.000 0.469 454 A N 3.480 126.291 122.820 -0.016 0.000 2.451 454 A HA 0.503 4.822 4.320 -0.000 0.000 0.266 454 A C -0.769 176.721 177.584 -0.157 0.000 1.119 454 A CA -0.297 51.667 52.037 -0.122 0.000 0.786 454 A CB -0.281 18.344 19.000 -0.624 0.000 1.061 454 A HN 0.533 nan 8.150 nan 0.000 0.503 455 V N 3.308 123.153 119.914 -0.115 0.000 2.376 455 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 455 V C 0.024 176.081 176.094 -0.063 0.000 1.015 455 V CA -0.254 62.002 62.300 -0.074 0.000 0.834 455 V CB 1.444 33.134 31.823 -0.222 0.000 1.001 455 V HN 0.820 nan 8.190 nan 0.000 0.428 456 S N 6.349 122.029 115.700 -0.034 0.000 2.667 456 S HA 0.575 5.045 4.470 -0.000 0.000 0.304 456 S C -0.377 174.107 174.600 -0.192 0.000 1.135 456 S CA -0.439 57.705 58.200 -0.093 0.000 1.125 456 S CB 0.635 63.788 63.200 -0.078 0.000 0.996 456 S HN 0.554 nan 8.310 nan 0.000 0.474 457 L N 4.556 125.644 121.223 -0.225 0.000 2.287 457 L HA 0.431 4.771 4.340 -0.000 0.000 0.280 457 L C -0.458 175.937 176.870 -0.792 0.000 1.055 457 L CA -0.328 54.216 54.840 -0.494 0.000 0.863 457 L CB 0.185 42.057 42.059 -0.311 0.000 1.245 457 L HN 0.475 nan 8.230 nan 0.000 0.432 458 L N 3.739 124.418 121.223 -0.907 0.000 2.512 458 L HA 0.336 4.676 4.340 -0.000 0.000 0.247 458 L C -0.354 176.210 176.870 -0.511 0.000 1.204 458 L CA -0.374 53.745 54.840 -1.203 0.000 1.153 458 L CB -0.655 40.491 42.059 -1.522 0.000 1.415 458 L HN 0.360 nan 8.230 nan 0.000 0.406 459 F N 0.026 120.031 119.950 0.090 0.000 2.538 459 F HA 0.128 4.655 4.527 -0.000 0.000 0.371 459 F C 1.171 177.180 175.800 0.349 0.000 1.087 459 F CA 0.309 58.427 58.000 0.195 0.000 1.250 459 F CB 0.591 39.678 39.000 0.146 0.000 1.110 459 F HN 0.186 nan 8.300 nan 0.000 0.570 460 S N 1.985 117.925 115.700 0.399 0.000 2.462 460 S HA 0.387 4.857 4.470 -0.000 0.000 0.294 460 S C 0.031 174.697 174.600 0.111 0.000 1.144 460 S CA -0.699 57.643 58.200 0.236 0.000 1.088 460 S CB 1.579 64.900 63.200 0.201 0.000 1.009 460 S HN 0.672 nan 8.310 nan 0.000 0.484 466 D N 1.353 121.728 120.400 -0.042 0.000 2.144 466 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 466 D C 1.966 178.230 176.300 -0.060 0.000 0.984 466 D CA 0.667 54.639 54.000 -0.047 0.000 0.834 466 D CB 0.196 40.975 40.800 -0.035 0.000 0.955 466 D HN 0.203 nan 8.370 nan 0.000 0.465 467 L N 0.639 121.826 121.223 -0.059 0.000 1.989 467 L HA -0.092 4.247 4.340 -0.000 0.000 0.211 467 L C 2.131 178.962 176.870 -0.065 0.000 1.071 467 L CA 2.241 57.042 54.840 -0.065 0.000 0.749 467 L CB -1.075 40.944 42.059 -0.068 0.000 0.890 467 L HN 0.029 nan 8.230 nan 0.000 0.431 468 A N -0.459 122.326 122.820 -0.058 0.000 1.908 468 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 468 A C 2.554 180.097 177.584 -0.068 0.000 1.181 468 A CA 1.900 53.903 52.037 -0.056 0.000 0.627 468 A CB -0.711 18.262 19.000 -0.046 0.000 0.818 468 A HN 0.542 nan 8.150 nan 0.000 0.445 469 R N -0.375 120.080 120.500 -0.075 0.000 2.073 469 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 469 R C 1.979 178.199 176.300 -0.132 0.000 1.134 469 R CA 1.709 57.754 56.100 -0.092 0.000 0.952 469 R CB -0.403 29.846 30.300 -0.085 0.000 0.850 469 R HN 0.520 nan 8.270 nan 0.000 0.433 470 L N 0.451 121.584 121.223 -0.150 0.000 2.093 470 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 470 L C 2.650 179.413 176.870 -0.179 0.000 1.085 470 L CA 1.351 56.052 54.840 -0.233 0.000 0.755 470 L CB -0.324 41.611 42.059 -0.206 0.000 0.904 470 L HN 0.318 nan 8.230 nan 0.000 0.435 471 Q N -0.443 119.295 119.800 -0.104 0.000 2.079 471 Q HA -0.255 4.084 4.340 -0.000 0.000 0.200 471 Q C 2.097 178.053 176.000 -0.073 0.000 0.974 471 Q CA 1.579 57.341 55.803 -0.069 0.000 0.840 471 Q CB -0.031 28.677 28.738 -0.050 0.000 0.898 471 Q HN 0.312 nan 8.270 nan 0.000 0.430 472 E N 1.161 121.312 120.200 -0.082 0.000 2.072 472 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 472 E C 1.868 178.412 176.600 -0.094 0.000 0.985 472 E CA 1.500 57.855 56.400 -0.076 0.000 0.801 472 E CB -0.070 29.588 29.700 -0.071 0.000 0.750 472 E HN 0.325 nan 8.360 nan 0.000 0.452 473 Q N -0.179 119.538 119.800 -0.138 0.000 2.096 473 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 473 Q C 1.684 177.599 176.000 -0.142 0.000 0.982 473 Q CA 1.833 57.533 55.803 -0.173 0.000 0.850 473 Q CB -0.137 28.432 28.738 -0.281 0.000 0.901 473 Q HN 0.248 nan 8.270 nan 0.000 0.422 474 N N 0.301 118.927 118.700 -0.123 0.000 2.120 474 N HA -0.125 4.614 4.740 -0.000 0.000 0.188 474 N C 1.654 177.145 175.510 -0.031 0.000 1.024 474 N CA 1.152 54.177 53.050 -0.042 0.000 0.852 474 N CB -0.230 38.261 38.487 0.007 0.000 1.003 474 N HN 0.245 nan 8.380 nan 0.000 0.424 475 R N 0.603 121.080 120.500 -0.038 0.000 2.091 475 R HA -0.035 4.305 4.340 -0.000 0.000 0.238 475 R C 2.272 178.556 176.300 -0.027 0.000 1.136 475 R CA 1.139 57.223 56.100 -0.027 0.000 0.959 475 R CB -0.140 30.143 30.300 -0.029 0.000 0.856 475 R HN 0.197 nan 8.270 nan 0.000 0.437 476 R N 0.734 121.207 120.500 -0.044 0.000 2.081 476 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 476 R C 2.116 178.399 176.300 -0.028 0.000 1.131 476 R CA 1.377 57.452 56.100 -0.041 0.000 0.960 476 R CB -0.190 30.068 30.300 -0.070 0.000 0.856 476 R HN 0.167 nan 8.270 nan 0.000 0.436 477 I N 0.628 121.164 120.570 -0.057 0.000 2.179 477 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 477 I C 2.122 178.240 176.117 0.002 0.000 1.088 477 I CA 1.234 62.495 61.300 -0.064 0.000 1.357 477 I CB -0.210 37.739 38.000 -0.085 0.000 1.051 477 I HN 0.219 nan 8.210 nan 0.000 0.409 478 L N -0.012 121.193 121.223 -0.031 0.000 2.046 478 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 478 L C 2.797 179.675 176.870 0.013 0.000 1.077 478 L CA 1.338 56.145 54.840 -0.056 0.000 0.747 478 L CB -0.626 41.420 42.059 -0.022 0.000 0.896 478 L HN 0.191 nan 8.230 nan 0.000 0.432 479 R N -0.489 120.025 120.500 0.024 0.000 2.083 479 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 479 R C 2.332 178.650 176.300 0.030 0.000 1.137 479 R CA 1.957 58.072 56.100 0.025 0.000 0.951 479 R CB -0.584 29.726 30.300 0.017 0.000 0.851 479 R HN 0.256 nan 8.270 nan 0.000 0.434 480 F N 0.966 120.866 119.950 -0.083 0.000 2.095 480 F HA -0.282 4.245 4.527 -0.000 0.000 0.298 480 F C 2.223 177.984 175.800 -0.064 0.000 1.104 480 F CA 1.340 59.280 58.000 -0.099 0.000 1.232 480 F CB -0.538 38.358 39.000 -0.174 0.000 0.987 480 F HN -0.035 nan 8.300 nan 0.000 0.475 481 C N 0.974 120.128 119.300 -0.244 0.000 2.429 481 C HA -0.163 4.296 4.460 -0.000 0.000 0.277 481 C C 2.493 177.428 174.990 -0.092 0.000 1.262 481 C CA 1.260 60.137 59.018 -0.234 0.000 1.733 481 C CB -1.168 26.538 27.740 -0.056 0.000 2.010 481 C HN 0.531 nan 8.230 nan 0.000 0.483 482 D N 0.526 120.932 120.400 0.009 0.000 2.117 482 D HA -0.095 4.544 4.640 -0.000 0.000 0.198 482 D C 1.903 178.157 176.300 -0.076 0.000 0.982 482 D CA 0.918 54.930 54.000 0.020 0.000 0.828 482 D CB -0.537 40.286 40.800 0.038 0.000 0.967 482 D HN 0.325 nan 8.370 nan 0.000 0.464 483 L N 0.539 121.688 121.223 -0.124 0.000 2.141 483 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 483 L C 1.998 178.759 176.870 -0.181 0.000 1.094 483 L CA 1.109 55.872 54.840 -0.128 0.000 0.763 483 L CB -0.245 41.754 42.059 -0.100 0.000 0.908 483 L HN -0.057 nan 8.230 nan 0.000 0.437 484 A N -1.067 121.558 122.820 -0.325 0.000 2.206 484 A HA 0.301 4.620 4.320 -0.000 0.000 0.211 484 A C 1.688 179.162 177.584 -0.183 0.000 1.158 484 A CA 0.628 52.467 52.037 -0.330 0.000 0.761 484 A CB -0.834 17.774 19.000 -0.653 0.000 0.801 484 A HN 0.660 nan 8.150 nan 0.000 0.473 485 G N -0.581 108.137 108.800 -0.135 0.000 2.176 485 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.252 485 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.252 485 G C 0.054 174.924 174.900 -0.051 0.000 1.024 485 G CA 0.275 45.327 45.100 -0.079 0.000 0.755 485 G HN 0.502 nan 8.290 nan 0.000 0.507 486 I N 0.784 121.338 120.570 -0.026 0.000 2.517 486 I HA 0.102 4.272 4.170 -0.000 0.000 0.285 486 I C 0.708 176.874 176.117 0.082 0.000 1.106 486 I CA -0.157 61.178 61.300 0.058 0.000 1.402 486 I CB 0.929 39.000 38.000 0.118 0.000 1.399 486 I HN 0.019 nan 8.210 nan 0.000 0.535 487 Q N 7.466 127.268 119.800 0.004 0.000 3.181 487 Q HA 0.102 4.442 4.340 -0.000 0.000 0.293 487 Q C -0.620 175.323 176.000 -0.095 0.000 1.406 487 Q CA -0.191 55.549 55.803 -0.106 0.000 1.026 487 Q CB -0.716 27.962 28.738 -0.100 0.000 1.630 487 Q HN 0.527 nan 8.270 nan 0.000 0.553 488 Y N -1.083 119.190 120.300 -0.046 0.000 2.299 488 Y HA 0.496 5.046 4.550 -0.000 0.000 0.335 488 Y C 0.087 175.952 175.900 -0.059 0.000 1.287 488 Y CA -0.862 57.214 58.100 -0.039 0.000 1.424 488 Y CB 0.839 39.296 38.460 -0.005 0.000 1.326 488 Y HN -0.183 nan 8.280 nan 0.000 0.567 489 K N 1.914 122.378 120.400 0.106 0.000 2.345 489 K HA 0.277 4.597 4.320 -0.000 0.000 0.255 489 K C -0.517 176.247 176.600 0.272 0.000 0.934 489 K CA -0.569 55.758 56.287 0.067 0.000 0.801 489 K CB 1.819 34.286 32.500 -0.056 0.000 1.137 489 K HN 0.981 nan 8.250 nan 0.000 0.424 490 T N -0.684 114.086 114.554 0.360 0.000 2.860 490 T HA 0.287 4.637 4.350 -0.000 0.000 0.299 490 T C -0.306 174.541 174.700 0.245 0.000 1.045 490 T CA -0.236 62.016 62.100 0.252 0.000 1.071 490 T CB 0.528 69.505 68.868 0.181 0.000 0.985 490 T HN 0.443 nan 8.240 nan 0.000 0.537 491 Y N 1.715 121.961 120.300 -0.089 0.000 2.457 491 Y HA 0.474 5.023 4.550 -0.000 0.000 0.343 491 Y C 0.348 176.242 175.900 -0.011 0.000 0.994 491 Y CA -2.167 55.892 58.100 -0.067 0.000 1.031 491 Y CB 0.878 39.088 38.460 -0.417 0.000 1.246 491 Y HN 0.792 nan 8.280 nan 0.000 0.449 492 L N 2.586 123.557 121.223 -0.420 0.000 4.884 492 L HA -0.273 4.067 4.340 -0.000 0.000 0.430 492 L C 0.063 176.836 176.870 -0.160 0.000 1.087 492 L CA 0.985 55.614 54.840 -0.351 0.000 1.033 492 L CB -1.749 40.069 42.059 -0.402 0.000 2.030 492 L HN 0.692 nan 8.230 nan 0.000 0.762 493 A N 0.579 123.297 122.820 -0.170 0.000 2.325 493 A HA 0.807 5.127 4.320 -0.000 0.000 0.333 493 A C 0.267 177.645 177.584 -0.344 0.000 1.155 493 A CA -0.442 51.447 52.037 -0.247 0.000 0.814 493 A CB 1.000 19.815 19.000 -0.308 0.000 1.206 493 A HN 0.331 nan 8.150 nan 0.000 0.482 494 R N 1.065 121.390 120.500 -0.291 0.000 2.460 494 R HA 0.671 5.011 4.340 -0.000 0.000 0.303 494 R C -0.968 175.020 176.300 -0.520 0.000 0.968 494 R CA -0.386 55.604 56.100 -0.184 0.000 0.889 494 R CB 0.452 30.818 30.300 0.109 0.000 1.123 494 R HN 0.776 nan 8.270 nan 0.000 0.455 495 H N -0.082 118.621 119.070 -0.611 0.000 2.508 495 H HA 0.318 4.874 4.556 -0.000 0.000 0.344 495 H C 0.356 175.570 175.328 -0.191 0.000 1.192 495 H CA -0.135 55.490 56.048 -0.706 0.000 1.290 495 H CB 1.993 30.886 29.762 -1.449 0.000 1.571 495 H HN 0.897 nan 8.280 nan 0.000 0.555 496 T N -2.677 111.879 114.554 0.004 0.000 3.040 496 T HA 0.134 4.484 4.350 -0.000 0.000 0.266 496 T C -0.216 174.544 174.700 0.099 0.000 1.005 496 T CA -0.313 61.842 62.100 0.091 0.000 0.906 496 T CB -0.176 68.719 68.868 0.045 0.000 1.082 496 T HN 0.677 nan 8.240 nan 0.000 0.531 497 D N -0.525 119.913 120.400 0.064 0.000 2.552 497 D HA 0.369 5.008 4.640 -0.000 0.000 0.239 497 D C 0.949 177.292 176.300 0.071 0.000 1.139 497 D CA -1.191 52.848 54.000 0.064 0.000 0.914 497 D CB 1.458 42.262 40.800 0.007 0.000 1.461 497 D HN -0.149 nan 8.370 nan 0.000 0.462 498 R N 0.232 120.756 120.500 0.039 0.000 2.083 498 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 498 R C 1.655 177.844 176.300 -0.185 0.000 1.137 498 R CA 2.371 58.443 56.100 -0.047 0.000 0.951 498 R CB -0.442 29.830 30.300 -0.046 0.000 0.851 498 R HN 0.619 nan 8.270 nan 0.000 0.434 499 S N 0.541 116.147 115.700 -0.157 0.000 2.382 499 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 499 S C 1.433 175.889 174.600 -0.241 0.000 1.027 499 S CA 1.461 59.543 58.200 -0.196 0.000 0.991 499 S CB -0.347 62.770 63.200 -0.139 0.000 0.823 499 S HN 0.345 nan 8.310 nan 0.000 0.469 500 D N 0.659 120.900 120.400 -0.264 0.000 2.117 500 D HA -0.033 4.607 4.640 -0.000 0.000 0.198 500 D C 1.482 177.451 176.300 -0.553 0.000 0.982 500 D CA 0.932 54.655 54.000 -0.462 0.000 0.828 500 D CB -0.430 40.048 40.800 -0.536 0.000 0.967 500 D HN 0.614 nan 8.370 nan 0.000 0.464 501 W N 0.707 121.818 121.300 -0.314 0.000 2.388 501 W HA -0.105 4.555 4.660 -0.000 0.000 0.294 501 W C 2.397 178.810 176.519 -0.176 0.000 1.212 501 W CA 0.222 57.459 57.345 -0.181 0.000 1.271 501 W CB -0.220 29.208 29.460 -0.053 0.000 1.126 501 W HN -0.205 nan 8.180 nan 0.000 0.535 502 V N 0.512 120.251 119.914 -0.291 0.000 2.343 502 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 502 V C 2.286 178.322 176.094 -0.096 0.000 1.051 502 V CA 2.115 64.167 62.300 -0.414 0.000 1.036 502 V CB -0.833 30.576 31.823 -0.691 0.000 0.654 502 V HN 0.177 nan 8.190 nan 0.000 0.451 503 R N -0.773 119.630 120.500 -0.162 0.000 2.081 503 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 503 R C 2.510 178.719 176.300 -0.151 0.000 1.131 503 R CA 1.757 57.758 56.100 -0.166 0.000 0.960 503 R CB -0.527 29.628 30.300 -0.242 0.000 0.856 503 R HN 0.695 nan 8.270 nan 0.000 0.436 504 H N -0.471 118.437 119.070 -0.270 0.000 2.290 504 H HA -0.184 4.372 4.556 -0.000 0.000 0.298 504 H C 1.486 176.688 175.328 -0.209 0.000 1.087 504 H CA 2.335 58.203 56.048 -0.300 0.000 1.291 504 H CB -0.130 29.411 29.762 -0.368 0.000 1.369 504 H HN 0.236 nan 8.280 nan 0.000 0.492 505 F N 0.260 120.287 119.950 0.127 0.000 2.416 505 F HA 0.182 4.709 4.527 -0.000 0.000 0.296 505 F C 1.721 177.555 175.800 0.057 0.000 1.099 505 F CA 1.027 59.090 58.000 0.105 0.000 1.427 505 F CB -0.230 38.943 39.000 0.288 0.000 1.079 505 F HN 0.448 nan 8.300 nan 0.000 0.536 506 G N -0.196 108.722 108.800 0.197 0.000 2.733 506 G HA2 0.031 3.990 3.960 -0.000 0.000 0.686 506 G HA3 0.031 3.990 3.960 -0.000 0.000 0.686 506 G C 0.749 175.779 174.900 0.216 0.000 1.373 506 G CA -0.497 44.679 45.100 0.126 0.000 0.838 506 G HN 0.498 nan 8.290 nan 0.000 0.588 507 A N 0.730 123.638 122.820 0.147 0.000 1.883 507 A HA 0.243 4.562 4.320 -0.000 0.000 0.217 507 A C 2.990 180.715 177.584 0.236 0.000 1.186 507 A CA 3.706 55.854 52.037 0.185 0.000 0.624 507 A CB -0.973 18.094 19.000 0.110 0.000 0.822 507 A HN 2.533 nan 8.150 nan 0.000 0.444 508 A N -0.546 122.376 122.820 0.171 0.000 1.873 508 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 508 A C 2.139 179.825 177.584 0.170 0.000 1.186 508 A CA 1.806 53.932 52.037 0.148 0.000 0.616 508 A CB -0.410 18.652 19.000 0.104 0.000 0.823 508 A HN 0.533 nan 8.150 nan 0.000 0.442 509 K N -1.276 119.247 120.400 0.206 0.000 2.155 509 K HA -0.132 4.188 4.320 -0.000 0.000 0.203 509 K C 1.938 178.665 176.600 0.212 0.000 1.052 509 K CA 1.096 57.512 56.287 0.216 0.000 0.948 509 K CB -0.246 32.420 32.500 0.277 0.000 0.728 509 K HN 0.801 nan 8.250 nan 0.000 0.448 510 W N 2.677 124.053 121.300 0.126 0.000 2.355 510 W HA -0.239 4.421 4.660 -0.000 0.000 0.309 510 W C 1.580 178.187 176.519 0.146 0.000 1.206 510 W CA 1.477 58.880 57.345 0.095 0.000 1.284 510 W CB -0.442 29.115 29.460 0.162 0.000 1.145 510 W HN 0.156 nan 8.180 nan 0.000 0.502 511 N N 0.984 119.770 118.700 0.143 0.000 2.149 511 N HA -0.251 4.489 4.740 -0.000 0.000 0.188 511 N C 1.911 177.392 175.510 -0.049 0.000 1.019 511 N CA 1.746 54.815 53.050 0.032 0.000 0.857 511 N CB -0.312 38.256 38.487 0.135 0.000 0.997 511 N HN 0.034 nan 8.380 nan 0.000 0.426 512 R N 0.444 120.943 120.500 -0.001 0.000 2.075 512 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 512 R C 2.054 178.308 176.300 -0.076 0.000 1.126 512 R CA 1.156 57.241 56.100 -0.026 0.000 0.963 512 R CB -1.299 29.012 30.300 0.018 0.000 0.858 512 R HN 0.231 nan 8.270 nan 0.000 0.435 513 F N -0.102 119.695 119.950 -0.256 0.000 2.095 513 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 513 F C 2.045 177.732 175.800 -0.189 0.000 1.104 513 F CA 1.735 59.578 58.000 -0.261 0.000 1.232 513 F CB -0.315 38.352 39.000 -0.556 0.000 0.987 513 F HN -0.125 nan 8.300 nan 0.000 0.475 514 V N -0.015 119.763 119.914 -0.226 0.000 2.343 514 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 514 V C 2.357 178.338 176.094 -0.188 0.000 1.051 514 V CA 2.215 64.383 62.300 -0.221 0.000 1.036 514 V CB -0.681 30.976 31.823 -0.277 0.000 0.654 514 V HN 0.381 nan 8.190 nan 0.000 0.451 515 E N -0.379 119.727 120.200 -0.156 0.000 2.085 515 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 515 E C 2.269 178.762 176.600 -0.179 0.000 0.994 515 E CA 1.529 57.845 56.400 -0.139 0.000 0.801 515 E CB -0.056 29.581 29.700 -0.105 0.000 0.743 515 E HN 0.374 nan 8.360 nan 0.000 0.453 516 M N 0.387 119.853 119.600 -0.224 0.000 2.229 516 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 516 M C 2.184 178.434 176.300 -0.083 0.000 1.063 516 M CA 1.172 56.309 55.300 -0.271 0.000 1.114 516 M CB -0.650 31.532 32.600 -0.696 0.000 1.387 516 M HN -0.065 nan 8.290 nan 0.000 0.420 517 K N 1.020 121.395 120.400 -0.041 0.000 2.057 517 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 517 K C 1.659 178.127 176.600 -0.220 0.000 1.050 517 K CA 1.305 57.506 56.287 -0.143 0.000 0.935 517 K CB -0.167 31.913 32.500 -0.701 0.000 0.715 517 K HN 0.219 nan 8.250 nan 0.000 0.439 518 N N 0.590 119.155 118.700 -0.225 0.000 2.166 518 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 518 N C 1.548 176.963 175.510 -0.159 0.000 1.019 518 N CA 1.112 54.054 53.050 -0.179 0.000 0.856 518 N CB -0.072 38.330 38.487 -0.142 0.000 0.993 518 N HN 0.282 nan 8.380 nan 0.000 0.426 519 K N -0.553 119.711 120.400 -0.228 0.000 2.062 519 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 519 K C 0.957 177.323 176.600 -0.390 0.000 1.051 519 K CA 1.084 57.135 56.287 -0.394 0.000 0.941 519 K CB 0.105 32.190 32.500 -0.692 0.000 0.719 519 K HN 0.125 nan 8.250 nan 0.000 0.440 520 Y N -1.192 119.108 120.300 -0.001 0.000 2.483 520 Y HA 0.180 4.730 4.550 -0.000 0.000 0.258 520 Y C 0.057 175.874 175.900 -0.139 0.000 1.083 520 Y CA -0.275 57.832 58.100 0.012 0.000 1.283 520 Y CB 0.872 39.366 38.460 0.057 0.000 1.178 520 Y HN -0.000 nan 8.280 nan 0.000 0.515 521 D N 0.018 120.382 120.400 -0.060 0.000 2.849 521 D HA 0.197 4.837 4.640 -0.000 0.000 0.314 521 D C -2.273 173.887 176.300 -0.233 0.000 1.210 521 D CA -1.982 51.911 54.000 -0.178 0.000 0.756 521 D CB 0.757 41.476 40.800 -0.134 0.000 1.222 521 D HN -0.064 nan 8.370 nan 0.000 0.521 522 P HA -0.123 nan 4.420 nan 0.000 0.220 522 P C 0.921 178.141 177.300 -0.135 0.000 1.148 522 P CA 0.703 63.695 63.100 -0.180 0.000 0.803 522 P CB 0.377 32.002 31.700 -0.126 0.000 0.782 523 K N -0.585 119.740 120.400 -0.125 0.000 2.459 523 K HA 0.046 4.366 4.320 -0.000 0.000 0.193 523 K C 0.195 176.775 176.600 -0.033 0.000 1.030 523 K CA -0.081 56.174 56.287 -0.053 0.000 1.026 523 K CB -0.153 32.332 32.500 -0.026 0.000 0.809 523 K HN -0.115 nan 8.250 nan 0.000 0.504 524 R N 0.454 120.902 120.500 -0.088 0.000 3.205 524 R HA -0.161 4.179 4.340 -0.000 0.000 0.249 524 R C 0.456 176.762 176.300 0.011 0.000 0.937 524 R CA 0.169 56.231 56.100 -0.064 0.000 0.641 524 R CB -2.251 28.042 30.300 -0.012 0.000 1.114 524 R HN 0.230 nan 8.270 nan 0.000 0.451 525 L N -0.912 120.312 121.223 0.001 0.000 2.357 525 L HA 0.187 4.526 4.340 -0.000 0.000 0.211 525 L C 0.870 177.747 176.870 0.012 0.000 1.075 525 L CA 0.202 55.073 54.840 0.052 0.000 0.830 525 L CB 0.026 42.133 42.059 0.080 0.000 0.996 525 L HN 0.175 nan 8.230 nan 0.000 0.467 526 L N 0.435 121.644 121.223 -0.024 0.000 2.349 526 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 526 L C 0.507 177.346 176.870 -0.053 0.000 1.115 526 L CA -0.321 54.488 54.840 -0.052 0.000 0.820 526 L CB 1.033 43.114 42.059 0.037 0.000 1.135 526 L HN 0.122 nan 8.230 nan 0.000 0.445 527 S N 2.291 117.922 115.700 -0.114 0.000 3.405 527 S HA -0.097 4.373 4.470 -0.000 0.000 0.373 527 S C -1.390 173.212 174.600 0.003 0.000 0.939 527 S CA 0.195 58.364 58.200 -0.052 0.000 1.295 527 S CB -0.908 62.303 63.200 0.017 0.000 0.919 527 S HN 0.686 nan 8.310 nan 0.000 0.535 528 P HA -0.023 nan 4.420 nan 0.000 0.223 528 P C 1.626 178.971 177.300 0.075 0.000 1.151 528 P CA 1.303 64.439 63.100 0.060 0.000 0.787 528 P CB -0.251 31.488 31.700 0.066 0.000 0.788 529 G N 0.308 109.145 108.800 0.061 0.000 2.559 529 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 529 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 529 G C 1.544 176.482 174.900 0.063 0.000 1.126 529 G CA 0.195 45.330 45.100 0.057 0.000 0.778 529 G HN 0.229 nan 8.290 nan 0.000 0.543 530 Q N 0.345 120.190 119.800 0.074 0.000 2.297 530 Q HA -0.028 4.312 4.340 -0.000 0.000 0.204 530 Q C 0.505 176.640 176.000 0.224 0.000 0.962 530 Q CA 0.770 56.648 55.803 0.125 0.000 0.879 530 Q CB 0.066 28.820 28.738 0.027 0.000 0.947 530 Q HN 0.424 nan 8.270 nan 0.000 0.462 531 D N -0.758 119.739 120.400 0.161 0.000 2.772 531 D HA -0.205 4.435 4.640 -0.000 0.000 0.233 531 D C 0.609 177.027 176.300 0.196 0.000 1.143 531 D CA 0.536 54.664 54.000 0.213 0.000 0.700 531 D CB -1.391 39.572 40.800 0.271 0.000 1.076 531 D HN 0.361 nan 8.370 nan 0.000 0.430 532 I N -1.547 118.933 120.570 -0.149 0.000 2.512 532 I HA -0.064 4.106 4.170 -0.000 0.000 0.247 532 I C 1.561 177.416 176.117 -0.437 0.000 1.094 532 I CA 0.691 61.633 61.300 -0.597 0.000 1.427 532 I CB -0.069 37.355 38.000 -0.960 0.000 1.149 532 I HN -0.095 nan 8.210 nan 0.000 0.438 533 F N 0.502 120.485 119.950 0.055 0.000 2.683 533 F HA 0.290 4.817 4.527 -0.000 0.000 0.306 533 F C 0.081 175.926 175.800 0.074 0.000 1.102 533 F CA -0.476 57.575 58.000 0.084 0.000 1.244 533 F CB -0.247 38.771 39.000 0.029 0.000 1.029 533 F HN 0.003 nan 8.300 nan 0.000 0.545 534 N N 0.000 118.813 118.700 0.188 0.000 1.763 534 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 534 N CA 0.000 53.140 53.050 0.149 0.000 0.885 534 N CB 0.000 38.565 38.487 0.129 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667