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 1c4r_1_B DATA FIRST_RESID 82 DATA SEQUENCE HAGTTYIFSK GGGQITYKWP PNDRPSTRAD RLAIGFSTVQ KEAVLVRVDS DATA SEQUENCE SSGLGDYLEL HIHQGKIGVK FNVGTDDIAI EESNAIINDG KYHVVRFTRS DATA SEQUENCE GGNATLQVDS WPVIERYPAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXG DATA SEQUENCE RQLTIFNSQA TIIIGGKEQG QPFQGQLSGL YYNGLKVLNM AAENDANIAI DATA SEQUENCE VGNVRLVG 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 82 H HA 0.000 nan 4.556 nan 0.000 0.296 82 H C 0.000 175.137 175.328 -0.318 0.000 0.993 82 H CA 0.000 55.651 56.048 -0.662 0.000 1.023 82 H CB 0.000 29.642 29.762 -0.200 0.000 1.292 83 A N 1.958 124.725 122.820 -0.089 0.000 2.330 83 A HA 0.822 5.142 4.320 -0.000 0.000 0.327 83 A C 0.634 178.267 177.584 0.081 0.000 1.155 83 A CA 0.007 52.041 52.037 -0.005 0.000 0.803 83 A CB 1.269 20.261 19.000 -0.012 0.000 1.208 83 A HN 1.209 nan 8.150 nan 0.000 0.477 84 G N 0.813 109.649 108.800 0.060 0.000 2.699 84 G HA2 0.177 4.137 3.960 -0.000 0.000 0.686 84 G HA3 0.177 4.137 3.960 -0.000 0.000 0.686 84 G C -0.100 174.848 174.900 0.080 0.000 1.301 84 G CA -0.491 44.656 45.100 0.078 0.000 0.816 84 G HN 1.448 nan 8.290 nan 0.000 0.595 85 T N 1.375 115.973 114.554 0.074 0.000 2.897 85 T HA 0.397 4.747 4.350 -0.000 0.000 0.304 85 T C 0.731 175.479 174.700 0.079 0.000 1.051 85 T CA 1.269 63.400 62.100 0.051 0.000 1.132 85 T CB 0.190 69.114 68.868 0.093 0.000 1.066 85 T HN 0.974 nan 8.240 nan 0.000 0.518 86 T N 2.613 117.146 114.554 -0.035 0.000 2.893 86 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 86 T C -1.310 173.312 174.700 -0.130 0.000 1.027 86 T CA -0.483 61.616 62.100 -0.001 0.000 0.988 86 T CB 0.966 69.783 68.868 -0.084 0.000 1.043 86 T HN 0.466 nan 8.240 nan 0.000 0.461 87 Y N 1.022 121.360 120.300 0.063 0.000 2.462 87 Y HA 0.653 5.203 4.550 -0.000 0.000 0.346 87 Y C -0.150 175.809 175.900 0.097 0.000 0.976 87 Y CA -1.116 56.996 58.100 0.020 0.000 1.044 87 Y CB 1.505 39.958 38.460 -0.013 0.000 1.230 87 Y HN 0.462 nan 8.280 nan 0.000 0.455 88 I N 3.479 124.121 120.570 0.120 0.000 2.404 88 I HA 0.346 4.515 4.170 -0.000 0.000 0.293 88 I C -1.270 174.885 176.117 0.064 0.000 0.992 88 I CA -0.689 60.719 61.300 0.180 0.000 1.149 88 I CB 1.190 39.233 38.000 0.072 0.000 1.315 88 I HN 0.364 nan 8.210 nan 0.000 0.446 89 F N 3.614 123.673 119.950 0.181 0.000 2.444 89 F HA 0.485 5.012 4.527 -0.000 0.000 0.342 89 F C 0.461 176.288 175.800 0.045 0.000 1.121 89 F CA -0.267 57.818 58.000 0.141 0.000 0.997 89 F CB 1.751 40.896 39.000 0.240 0.000 1.130 89 F HN 0.339 nan 8.300 nan 0.000 0.454 90 S N 0.984 116.767 115.700 0.139 0.000 2.806 90 S HA 0.436 4.906 4.470 -0.000 0.000 0.315 90 S C -0.733 173.903 174.600 0.061 0.000 1.127 90 S CA -1.276 56.968 58.200 0.073 0.000 0.918 90 S CB 1.273 64.496 63.200 0.039 0.000 1.240 90 S HN 0.518 nan 8.310 nan 0.000 0.552 91 K N 0.515 120.935 120.400 0.034 0.000 2.472 91 K HA 0.145 4.465 4.320 -0.000 0.000 0.269 91 K C 1.166 177.786 176.600 0.034 0.000 1.056 91 K CA 1.451 57.754 56.287 0.026 0.000 1.158 91 K CB -0.723 31.788 32.500 0.017 0.000 0.821 91 K HN 0.926 nan 8.250 nan 0.000 0.486 92 G N 2.179 111.001 108.800 0.035 0.000 2.234 92 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.235 92 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.235 92 G C 0.627 175.564 174.900 0.061 0.000 0.997 92 G CA -0.106 45.017 45.100 0.039 0.000 0.623 92 G HN 1.586 nan 8.290 nan 0.000 0.514 93 G N -1.075 107.779 108.800 0.091 0.000 2.846 93 G HA2 0.504 4.464 3.960 -0.000 0.000 0.660 93 G HA3 0.504 4.464 3.960 -0.000 0.000 0.660 93 G C 0.676 175.676 174.900 0.166 0.000 1.464 93 G CA 0.701 45.894 45.100 0.156 0.000 0.891 93 G HN 2.320 nan 8.290 nan 0.000 0.552 94 G N -1.339 107.632 108.800 0.284 0.000 2.827 94 G HA2 0.885 4.845 3.960 -0.000 0.000 0.296 94 G HA3 0.885 4.845 3.960 -0.000 0.000 0.296 94 G C -0.893 174.180 174.900 0.288 0.000 1.362 94 G CA 0.655 45.879 45.100 0.206 0.000 0.809 94 G HN 1.267 nan 8.290 nan 0.000 0.522 95 Q N -0.943 118.968 119.800 0.185 0.000 2.468 95 Q HA 0.513 4.853 4.340 -0.000 0.000 0.263 95 Q C -2.006 174.038 176.000 0.073 0.000 0.979 95 Q CA -0.578 55.333 55.803 0.180 0.000 0.932 95 Q CB 2.275 31.074 28.738 0.102 0.000 1.462 95 Q HN 0.528 nan 8.270 nan 0.000 0.403 96 I N 2.341 122.954 120.570 0.072 0.000 2.436 96 I HA 0.483 4.653 4.170 -0.000 0.000 0.289 96 I C -0.835 175.277 176.117 -0.009 0.000 1.010 96 I CA -0.595 60.687 61.300 -0.029 0.000 1.098 96 I CB 2.427 40.360 38.000 -0.111 0.000 1.266 96 I HN 0.512 nan 8.210 nan 0.000 0.434 97 T N 4.989 119.531 114.554 -0.020 0.000 2.840 97 T HA 0.345 4.695 4.350 -0.000 0.000 0.287 97 T C -1.167 173.520 174.700 -0.022 0.000 0.991 97 T CA -0.477 61.614 62.100 -0.015 0.000 0.964 97 T CB 1.021 69.874 68.868 -0.024 0.000 0.954 97 T HN 0.325 nan 8.240 nan 0.000 0.438 98 Y N 2.822 123.027 120.300 -0.159 0.000 2.387 98 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 98 Y C -0.200 175.567 175.900 -0.222 0.000 1.067 98 Y CA -0.997 56.961 58.100 -0.238 0.000 1.114 98 Y CB 1.111 39.348 38.460 -0.372 0.000 1.208 98 Y HN 0.501 nan 8.280 nan 0.000 0.458 99 K N 6.782 126.633 120.400 -0.914 0.000 2.637 99 K HA 0.189 4.509 4.320 -0.000 0.000 0.248 99 K C -1.383 174.836 176.600 -0.636 0.000 0.971 99 K CA -0.541 55.454 56.287 -0.487 0.000 0.858 99 K CB 0.763 33.116 32.500 -0.245 0.000 1.170 99 K HN 0.696 nan 8.250 nan 0.000 0.443 100 W N 4.820 125.898 121.300 -0.370 0.000 2.170 100 W HA 0.092 4.752 4.660 0.000 0.000 0.342 100 W C -1.926 174.509 176.519 -0.140 0.000 1.294 100 W CA -1.225 56.010 57.345 -0.183 0.000 1.246 100 W CB 0.526 29.996 29.460 0.016 0.000 1.156 100 W HN 0.409 nan 8.180 nan 0.000 0.572 101 P HA 0.093 nan 4.420 nan 0.000 0.280 101 P C -1.991 175.364 177.300 0.091 0.000 1.244 101 P CA -1.104 62.038 63.100 0.069 0.000 0.784 101 P CB 0.747 32.475 31.700 0.046 0.000 0.913 102 P HA -0.290 nan 4.420 nan 0.000 0.221 102 P C 1.440 178.747 177.300 0.011 0.000 1.160 102 P CA 1.906 65.022 63.100 0.026 0.000 0.933 102 P CB -0.385 31.323 31.700 0.013 0.000 0.793 103 N N -1.349 117.361 118.700 0.016 0.000 2.513 103 N HA -0.138 4.602 4.740 -0.000 0.000 0.187 103 N C 0.043 175.555 175.510 0.004 0.000 1.056 103 N CA 0.685 53.740 53.050 0.007 0.000 0.907 103 N CB -0.162 38.333 38.487 0.013 0.000 0.954 103 N HN 0.088 nan 8.380 nan 0.000 0.445 104 D N 0.061 120.476 120.400 0.025 0.000 2.571 104 D HA 0.109 4.748 4.640 -0.000 0.000 0.239 104 D C -0.441 175.801 176.300 -0.097 0.000 1.267 104 D CA -0.128 53.885 54.000 0.020 0.000 0.823 104 D CB 0.322 41.196 40.800 0.122 0.000 1.056 104 D HN 0.155 nan 8.370 nan 0.000 0.494 105 R N 2.460 122.860 120.500 -0.168 0.000 2.421 105 R HA 0.172 4.512 4.340 -0.000 0.000 0.305 105 R C -2.104 173.921 176.300 -0.459 0.000 1.039 105 R CA -0.746 55.108 56.100 -0.410 0.000 1.003 105 R CB 0.444 30.596 30.300 -0.248 0.000 0.959 105 R HN 0.070 nan 8.270 nan 0.000 0.427 106 P HA 0.187 nan 4.420 nan 0.000 0.278 106 P C -0.938 176.116 177.300 -0.410 0.000 1.258 106 P CA -0.541 62.278 63.100 -0.468 0.000 0.811 106 P CB 1.495 32.918 31.700 -0.461 0.000 1.063 107 S N -0.179 115.374 115.700 -0.245 0.000 2.538 107 S HA 0.668 5.138 4.470 -0.000 0.000 0.288 107 S C -0.425 174.115 174.600 -0.099 0.000 1.108 107 S CA -0.461 57.640 58.200 -0.164 0.000 0.971 107 S CB 1.576 64.716 63.200 -0.099 0.000 1.041 107 S HN 0.720 nan 8.310 nan 0.000 0.483 108 T N -0.431 114.103 114.554 -0.034 0.000 2.903 108 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 108 T C 0.172 174.903 174.700 0.051 0.000 1.093 108 T CA -0.986 61.115 62.100 0.001 0.000 1.002 108 T CB 1.850 70.715 68.868 -0.004 0.000 1.127 108 T HN 0.430 nan 8.240 nan 0.000 0.488 109 R N 0.096 120.608 120.500 0.021 0.000 2.290 109 R HA 0.557 4.897 4.340 -0.000 0.000 0.197 109 R C 0.478 176.780 176.300 0.003 0.000 0.913 109 R CA 0.253 56.366 56.100 0.021 0.000 1.040 109 R CB 0.573 30.878 30.300 0.008 0.000 0.992 109 R HN 0.838 nan 8.270 nan 0.000 0.500 110 A N 0.612 123.429 122.820 -0.005 0.000 2.520 110 A HA 0.502 4.822 4.320 -0.000 0.000 0.298 110 A C -1.716 175.852 177.584 -0.026 0.000 1.051 110 A CA -0.868 51.147 52.037 -0.037 0.000 0.690 110 A CB 1.693 20.663 19.000 -0.050 0.000 1.281 110 A HN -0.048 nan 8.150 nan 0.000 0.402 111 D N 0.364 120.739 120.400 -0.043 0.000 2.671 111 D HA 0.578 5.218 4.640 -0.000 0.000 0.232 111 D C -0.839 175.443 176.300 -0.030 0.000 1.114 111 D CA -0.332 53.674 54.000 0.009 0.000 0.858 111 D CB 2.317 43.255 40.800 0.230 0.000 1.544 111 D HN 0.562 nan 8.370 nan 0.000 0.471 112 R N 1.483 121.986 120.500 0.005 0.000 2.514 112 R HA 0.543 4.883 4.340 -0.000 0.000 0.296 112 R C -1.881 174.567 176.300 0.247 0.000 1.012 112 R CA -0.742 55.407 56.100 0.082 0.000 0.897 112 R CB 1.076 31.440 30.300 0.107 0.000 1.184 112 R HN 0.355 nan 8.270 nan 0.000 0.440 113 L N 3.607 125.040 121.223 0.350 0.000 2.385 113 L HA 0.888 5.228 4.340 -0.000 0.000 0.273 113 L C -1.695 175.357 176.870 0.304 0.000 0.990 113 L CA -0.178 54.916 54.840 0.423 0.000 0.821 113 L CB 2.124 44.476 42.059 0.488 0.000 1.279 113 L HN 0.778 nan 8.230 nan 0.000 0.412 114 A N 5.727 128.721 122.820 0.289 0.000 2.449 114 A HA 0.891 5.211 4.320 -0.000 0.000 0.302 114 A C -1.475 176.214 177.584 0.175 0.000 1.048 114 A CA -0.468 51.683 52.037 0.189 0.000 0.708 114 A CB 1.348 20.427 19.000 0.133 0.000 1.274 114 A HN 0.887 nan 8.150 nan 0.000 0.410 115 I N 0.505 121.154 120.570 0.132 0.000 2.908 115 I HA 0.650 4.820 4.170 -0.000 0.000 0.300 115 I C -0.091 176.108 176.117 0.138 0.000 1.385 115 I CA -0.499 60.885 61.300 0.140 0.000 1.004 115 I CB 2.221 40.280 38.000 0.098 0.000 1.309 115 I HN 0.905 nan 8.210 nan 0.000 0.449 116 G N 4.343 113.243 108.800 0.167 0.000 2.400 116 G HA2 0.736 4.696 3.960 -0.000 0.000 0.333 116 G HA3 0.736 4.696 3.960 -0.000 0.000 0.333 116 G C -1.484 173.540 174.900 0.206 0.000 1.143 116 G CA -0.422 44.688 45.100 0.015 0.000 0.914 116 G HN 0.664 nan 8.290 nan 0.000 0.480 117 F N -0.232 119.658 119.950 -0.100 0.000 2.713 117 F HA 0.805 5.332 4.527 -0.000 0.000 0.311 117 F C -0.614 175.313 175.800 0.212 0.000 1.141 117 F CA -1.358 56.743 58.000 0.170 0.000 0.939 117 F CB 1.705 40.718 39.000 0.022 0.000 1.325 117 F HN 0.736 nan 8.300 nan 0.000 0.453 118 S N 0.939 116.992 115.700 0.590 0.000 2.572 118 S HA 0.813 5.283 4.470 -0.000 0.000 0.274 118 S C -1.103 173.825 174.600 0.547 0.000 1.150 118 S CA -0.061 58.390 58.200 0.418 0.000 0.944 118 S CB 1.640 65.052 63.200 0.354 0.000 1.071 118 S HN 1.487 nan 8.310 nan 0.000 0.479 119 T N 0.024 114.835 114.554 0.430 0.000 2.775 119 T HA 0.486 4.836 4.350 -0.000 0.000 0.320 119 T C -0.224 174.588 174.700 0.186 0.000 1.597 119 T CA 0.078 62.321 62.100 0.237 0.000 1.022 119 T CB 1.118 70.129 68.868 0.239 0.000 1.485 119 T HN 1.761 nan 8.240 nan 0.000 0.494 120 V N 0.163 120.126 119.914 0.082 0.000 3.380 120 V HA 0.495 4.615 4.120 -0.000 0.000 0.307 120 V C 0.522 176.646 176.094 0.051 0.000 1.434 120 V CA -0.108 62.241 62.300 0.081 0.000 1.075 120 V CB -0.325 31.532 31.823 0.057 0.000 0.954 120 V HN 0.780 nan 8.190 nan 0.000 0.444 121 Q N 0.837 120.651 119.800 0.024 0.000 2.364 121 Q HA 0.219 4.559 4.340 -0.000 0.000 0.267 121 Q C 0.759 176.784 176.000 0.041 0.000 0.999 121 Q CA -0.017 55.792 55.803 0.010 0.000 0.886 121 Q CB 1.311 30.032 28.738 -0.029 0.000 1.243 121 Q HN 0.182 nan 8.270 nan 0.000 0.415 122 K N 0.846 121.260 120.400 0.023 0.000 2.211 122 K HA 0.039 4.359 4.320 -0.000 0.000 0.201 122 K C -0.266 176.342 176.600 0.013 0.000 1.052 122 K CA 0.996 57.289 56.287 0.011 0.000 0.973 122 K CB 0.709 33.204 32.500 -0.009 0.000 0.766 122 K HN 0.440 nan 8.250 nan 0.000 0.466 123 E N -0.549 119.668 120.200 0.029 0.000 2.272 123 E HA 0.649 4.999 4.350 -0.000 0.000 0.269 123 E C -1.365 175.269 176.600 0.057 0.000 0.877 123 E CA -0.781 55.650 56.400 0.053 0.000 0.755 123 E CB 2.046 31.777 29.700 0.051 0.000 1.192 123 E HN 0.064 nan 8.360 nan 0.000 0.422 124 A N 1.217 124.083 122.820 0.077 0.000 2.571 124 A HA 0.439 4.759 4.320 -0.000 0.000 0.296 124 A C -1.633 176.007 177.584 0.094 0.000 1.005 124 A CA -0.619 51.476 52.037 0.096 0.000 0.682 124 A CB 0.971 20.075 19.000 0.173 0.000 1.292 124 A HN 0.220 nan 8.150 nan 0.000 0.420 125 V N 3.164 123.120 119.914 0.069 0.000 2.417 125 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 125 V C 0.796 176.855 176.094 -0.059 0.000 1.024 125 V CA -0.392 61.926 62.300 0.029 0.000 0.861 125 V CB 1.325 33.160 31.823 0.020 0.000 0.985 125 V HN 0.832 nan 8.190 nan 0.000 0.436 126 L N 4.425 125.538 121.223 -0.183 0.000 2.262 126 L HA 0.350 4.690 4.340 -0.000 0.000 0.197 126 L C 0.137 176.824 176.870 -0.304 0.000 1.073 126 L CA 0.966 55.564 54.840 -0.402 0.000 0.800 126 L CB 0.083 41.797 42.059 -0.573 0.000 0.987 126 L HN 0.399 nan 8.230 nan 0.000 0.470 127 V N -0.039 119.746 119.914 -0.215 0.000 2.841 127 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 127 V C -0.753 175.275 176.094 -0.110 0.000 1.090 127 V CA -0.719 61.484 62.300 -0.161 0.000 0.930 127 V CB 2.786 34.512 31.823 -0.162 0.000 1.014 127 V HN 0.259 nan 8.190 nan 0.000 0.425 128 R N 2.240 122.697 120.500 -0.072 0.000 2.522 128 R HA 0.745 5.085 4.340 -0.000 0.000 0.283 128 R C -2.190 174.122 176.300 0.020 0.000 1.074 128 R CA -0.368 55.726 56.100 -0.010 0.000 0.925 128 R CB 2.207 32.515 30.300 0.013 0.000 1.205 128 R HN 0.544 nan 8.270 nan 0.000 0.436 129 V N 4.256 124.221 119.914 0.085 0.000 2.398 129 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 129 V C -0.481 175.835 176.094 0.371 0.000 1.026 129 V CA -0.509 61.898 62.300 0.177 0.000 0.868 129 V CB 1.622 33.534 31.823 0.147 0.000 0.982 129 V HN 0.758 nan 8.190 nan 0.000 0.443 130 D N 2.367 122.939 120.400 0.286 0.000 2.498 130 D HA 0.419 5.059 4.640 -0.000 0.000 0.247 130 D C -0.087 176.346 176.300 0.222 0.000 1.070 130 D CA -0.126 54.046 54.000 0.285 0.000 0.842 130 D CB 2.415 43.315 40.800 0.168 0.000 1.361 130 D HN 0.625 nan 8.370 nan 0.000 0.484 131 S N 0.512 116.368 115.700 0.261 0.000 2.614 131 S HA 0.330 4.800 4.470 -0.000 0.000 0.265 131 S C 0.670 175.322 174.600 0.087 0.000 1.303 131 S CA -0.776 57.506 58.200 0.136 0.000 1.000 131 S CB 0.885 64.218 63.200 0.222 0.000 0.935 131 S HN 0.436 nan 8.310 nan 0.000 0.551 132 S N 1.605 117.326 115.700 0.036 0.000 2.580 132 S HA 0.218 4.688 4.470 -0.000 0.000 0.261 132 S C 0.340 174.964 174.600 0.041 0.000 1.366 132 S CA -0.723 57.497 58.200 0.033 0.000 0.996 132 S CB -0.305 62.901 63.200 0.009 0.000 0.902 132 S HN 0.767 nan 8.310 nan 0.000 0.566 133 S N 0.856 116.574 115.700 0.031 0.000 2.558 133 S HA 0.438 4.908 4.470 -0.000 0.000 0.291 133 S C 1.559 176.175 174.600 0.028 0.000 1.306 133 S CA 0.553 58.770 58.200 0.028 0.000 1.056 133 S CB -0.082 63.129 63.200 0.019 0.000 0.836 133 S HN 1.654 nan 8.310 nan 0.000 0.504 134 G N 1.759 110.577 108.800 0.029 0.000 2.284 134 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.230 134 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.230 134 G C -0.030 174.894 174.900 0.039 0.000 1.021 134 G CA -0.102 45.015 45.100 0.028 0.000 0.619 134 G HN 0.578 nan 8.290 nan 0.000 0.510 135 L N 0.822 122.077 121.223 0.054 0.000 2.357 135 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 135 L C 1.675 178.605 176.870 0.099 0.000 1.080 135 L CA 0.090 54.975 54.840 0.075 0.000 0.803 135 L CB 1.616 43.727 42.059 0.086 0.000 1.174 135 L HN 0.159 nan 8.230 nan 0.000 0.443 136 G N -0.269 108.598 108.800 0.112 0.000 3.126 136 G HA2 0.010 3.970 3.960 -0.000 0.000 0.224 136 G HA3 0.010 3.970 3.960 -0.000 0.000 0.224 136 G C 0.099 175.141 174.900 0.238 0.000 1.142 136 G CA -0.276 44.912 45.100 0.146 0.000 0.759 136 G HN 0.575 nan 8.290 nan 0.000 0.550 137 D N 0.560 121.090 120.400 0.216 0.000 2.488 137 D HA 0.387 5.027 4.640 -0.000 0.000 0.238 137 D C -0.120 176.394 176.300 0.357 0.000 1.138 137 D CA 0.679 54.812 54.000 0.221 0.000 0.873 137 D CB 0.395 41.401 40.800 0.342 0.000 1.183 137 D HN 0.527 nan 8.370 nan 0.000 0.458 138 Y N -0.445 119.819 120.300 -0.060 0.000 2.702 138 Y HA 0.569 5.119 4.550 0.000 0.000 0.336 138 Y C -2.369 173.360 175.900 -0.285 0.000 1.203 138 Y CA -1.550 56.531 58.100 -0.032 0.000 1.072 138 Y CB 0.798 39.280 38.460 0.037 0.000 1.327 138 Y HN 0.236 nan 8.280 nan 0.000 0.456 139 L N 2.175 123.356 121.223 -0.070 0.000 2.438 139 L HA 0.669 5.009 4.340 -0.000 0.000 0.270 139 L C -1.449 175.436 176.870 0.025 0.000 0.972 139 L CA -0.488 54.243 54.840 -0.181 0.000 0.831 139 L CB 2.185 44.142 42.059 -0.169 0.000 1.273 139 L HN 0.882 nan 8.230 nan 0.000 0.405 140 E N 3.868 124.046 120.200 -0.036 0.000 2.263 140 E HA 0.423 4.773 4.350 -0.000 0.000 0.268 140 E C -1.919 174.522 176.600 -0.266 0.000 0.884 140 E CA -0.831 55.553 56.400 -0.027 0.000 0.766 140 E CB 2.024 31.834 29.700 0.183 0.000 1.196 140 E HN 0.625 nan 8.360 nan 0.000 0.416 141 L N 6.432 127.495 121.223 -0.266 0.000 2.282 141 L HA 0.451 4.791 4.340 -0.000 0.000 0.288 141 L C -0.901 175.802 176.870 -0.277 0.000 1.033 141 L CA 0.054 54.679 54.840 -0.359 0.000 0.807 141 L CB 0.632 42.529 42.059 -0.271 0.000 1.209 141 L HN 0.610 nan 8.230 nan 0.000 0.423 142 H N 3.461 122.450 119.070 -0.135 0.000 2.990 142 H HA 0.567 5.123 4.556 -0.000 0.000 0.343 142 H C -1.350 173.926 175.328 -0.087 0.000 1.270 142 H CA -1.229 54.755 56.048 -0.107 0.000 1.118 142 H CB 1.418 31.146 29.762 -0.057 0.000 1.861 142 H HN 0.489 nan 8.280 nan 0.000 0.544 143 I N 1.591 122.270 120.570 0.182 0.000 2.406 143 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 143 I C -1.028 175.190 176.117 0.170 0.000 0.999 143 I CA -0.390 60.988 61.300 0.130 0.000 1.124 143 I CB 1.556 39.590 38.000 0.057 0.000 1.289 143 I HN 0.564 nan 8.210 nan 0.000 0.441 144 H N 6.051 125.153 119.070 0.052 0.000 2.823 144 H HA 0.290 4.846 4.556 -0.000 0.000 0.332 144 H C -0.782 174.557 175.328 0.019 0.000 0.980 144 H CA -0.507 55.538 56.048 -0.006 0.000 1.286 144 H CB 0.982 30.705 29.762 -0.064 0.000 1.541 144 H HN 0.568 nan 8.280 nan 0.000 0.521 145 Q N 3.763 123.353 119.800 -0.350 0.000 2.468 145 Q HA -0.220 4.120 4.340 -0.000 0.000 0.289 145 Q C 0.884 176.827 176.000 -0.095 0.000 1.299 145 Q CA 0.975 56.614 55.803 -0.274 0.000 0.838 145 Q CB -1.713 26.789 28.738 -0.394 0.000 1.195 145 Q HN 1.286 nan 8.270 nan 0.000 0.456 146 G N -0.760 108.027 108.800 -0.022 0.000 2.162 146 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 146 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 146 G C -0.099 174.843 174.900 0.069 0.000 0.976 146 G CA 0.633 45.757 45.100 0.040 0.000 0.655 146 G HN 0.166 nan 8.290 nan 0.000 0.533 147 K N -0.057 120.382 120.400 0.066 0.000 2.292 147 K HA 0.614 4.934 4.320 -0.000 0.000 0.257 147 K C -0.257 176.410 176.600 0.110 0.000 0.940 147 K CA -1.150 55.197 56.287 0.099 0.000 0.811 147 K CB 2.411 34.969 32.500 0.096 0.000 1.120 147 K HN 0.196 nan 8.250 nan 0.000 0.428 148 I N 1.263 121.886 120.570 0.089 0.000 2.474 148 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 148 I C 0.268 176.410 176.117 0.043 0.000 1.048 148 I CA 0.755 62.068 61.300 0.022 0.000 1.383 148 I CB 0.905 38.895 38.000 -0.017 0.000 1.412 148 I HN 0.750 nan 8.210 nan 0.000 0.531 149 G N 5.303 114.089 108.800 -0.025 0.000 2.608 149 G HA2 0.608 4.568 3.960 -0.000 0.000 0.291 149 G HA3 0.608 4.568 3.960 -0.000 0.000 0.291 149 G C -2.068 172.611 174.900 -0.369 0.000 1.425 149 G CA -0.558 44.503 45.100 -0.065 0.000 0.787 149 G HN 0.516 nan 8.290 nan 0.000 0.484 150 V N 0.092 119.827 119.914 -0.299 0.000 2.823 150 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 150 V C -0.306 175.637 176.094 -0.251 0.000 1.072 150 V CA -0.855 61.171 62.300 -0.456 0.000 0.937 150 V CB 2.080 33.572 31.823 -0.552 0.000 1.013 150 V HN 0.868 nan 8.190 nan 0.000 0.430 151 K N 3.660 123.936 120.400 -0.206 0.000 2.427 151 K HA 0.748 5.068 4.320 -0.000 0.000 0.252 151 K C -1.610 174.907 176.600 -0.138 0.000 0.931 151 K CA -0.475 55.782 56.287 -0.050 0.000 0.793 151 K CB 1.909 34.515 32.500 0.177 0.000 1.211 151 K HN 0.599 nan 8.250 nan 0.000 0.426 152 F N 0.513 120.215 119.950 -0.413 0.000 2.664 152 F HA 0.609 5.136 4.527 -0.000 0.000 0.317 152 F C -1.425 173.955 175.800 -0.702 0.000 1.108 152 F CA -0.996 56.576 58.000 -0.712 0.000 0.957 152 F CB 1.654 40.331 39.000 -0.538 0.000 1.365 152 F HN 0.387 nan 8.300 nan 0.000 0.475 153 N N 0.793 119.079 118.700 -0.690 0.000 2.425 153 N HA 0.425 5.165 4.740 -0.000 0.000 0.289 153 N C -1.266 174.100 175.510 -0.240 0.000 1.074 153 N CA -0.447 52.327 53.050 -0.460 0.000 0.905 153 N CB 2.559 40.792 38.487 -0.422 0.000 1.586 153 N HN 0.962 nan 8.380 nan 0.000 0.490 154 V N 0.813 120.679 119.914 -0.079 0.000 2.854 154 V HA 0.659 4.779 4.120 -0.000 0.000 0.366 154 V C 0.981 177.090 176.094 0.026 0.000 1.322 154 V CA 0.421 62.719 62.300 -0.003 0.000 1.243 154 V CB 0.046 31.906 31.823 0.062 0.000 1.337 154 V HN 0.879 nan 8.190 nan 0.000 0.585 155 G N -0.211 108.596 108.800 0.012 0.000 2.336 155 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.194 155 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.194 155 G C 0.289 175.194 174.900 0.008 0.000 0.999 155 G CA 0.449 45.563 45.100 0.024 0.000 0.669 155 G HN 0.621 nan 8.290 nan 0.000 0.482 156 T N -0.321 114.224 114.554 -0.016 0.000 2.206 156 T HA 0.459 4.809 4.350 -0.000 0.000 0.168 156 T C -0.423 174.252 174.700 -0.041 0.000 0.753 156 T CA 0.365 62.452 62.100 -0.022 0.000 1.041 156 T CB 0.375 69.230 68.868 -0.022 0.000 2.919 156 T HN 0.135 nan 8.240 nan 0.000 0.392 157 D N 1.498 121.857 120.400 -0.069 0.000 2.312 157 D HA 0.317 4.957 4.640 -0.000 0.000 0.248 157 D C -1.016 175.187 176.300 -0.163 0.000 1.086 157 D CA -0.280 53.667 54.000 -0.088 0.000 0.948 157 D CB 0.879 41.629 40.800 -0.083 0.000 1.162 157 D HN 0.126 nan 8.370 nan 0.000 0.446 158 D N 0.867 121.181 120.400 -0.142 0.000 2.351 158 D HA 0.275 4.915 4.640 -0.000 0.000 0.251 158 D C -0.117 175.998 176.300 -0.308 0.000 1.137 158 D CA 0.152 54.026 54.000 -0.210 0.000 0.879 158 D CB 0.618 41.386 40.800 -0.053 0.000 1.181 158 D HN 0.230 nan 8.370 nan 0.000 0.448 159 I N 1.535 121.756 120.570 -0.582 0.000 2.441 159 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 159 I C -0.118 175.722 176.117 -0.461 0.000 0.994 159 I CA -0.800 60.132 61.300 -0.614 0.000 1.144 159 I CB 1.758 39.113 38.000 -1.076 0.000 1.314 159 I HN 0.305 nan 8.210 nan 0.000 0.445 160 A N 7.435 130.135 122.820 -0.199 0.000 2.371 160 A HA 0.844 5.164 4.320 -0.000 0.000 0.311 160 A C -1.121 176.478 177.584 0.026 0.000 1.068 160 A CA -0.514 51.489 52.037 -0.057 0.000 0.744 160 A CB 1.572 20.564 19.000 -0.012 0.000 1.239 160 A HN 0.727 nan 8.150 nan 0.000 0.435 161 I N 1.397 122.017 120.570 0.083 0.000 2.619 161 I HA 0.625 4.795 4.170 -0.000 0.000 0.292 161 I C -0.883 175.294 176.117 0.100 0.000 1.100 161 I CA -0.245 61.123 61.300 0.113 0.000 1.043 161 I CB 1.796 39.910 38.000 0.190 0.000 1.239 161 I HN 0.946 nan 8.210 nan 0.000 0.420 162 E N 5.359 125.618 120.200 0.099 0.000 2.413 162 E HA 0.315 4.665 4.350 -0.000 0.000 0.277 162 E C -1.720 174.946 176.600 0.110 0.000 0.958 162 E CA -0.714 55.747 56.400 0.102 0.000 0.779 162 E CB 1.946 31.716 29.700 0.118 0.000 1.278 162 E HN 0.488 nan 8.360 nan 0.000 0.456 163 E N 1.738 122.012 120.200 0.123 0.000 2.042 163 E HA 0.260 4.609 4.350 -0.000 0.000 0.260 163 E C -0.680 176.009 176.600 0.149 0.000 0.975 163 E CA -0.106 56.389 56.400 0.158 0.000 0.799 163 E CB 0.759 30.584 29.700 0.209 0.000 1.131 163 E HN 0.474 nan 8.360 nan 0.000 0.423 164 S N 3.621 119.388 115.700 0.111 0.000 2.436 164 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 164 S C 0.520 175.150 174.600 0.050 0.000 1.014 164 S CA 0.382 58.629 58.200 0.078 0.000 0.950 164 S CB -0.001 63.235 63.200 0.061 0.000 0.784 164 S HN 0.540 nan 8.310 nan 0.000 0.504 165 N N 2.029 120.749 118.700 0.034 0.000 3.131 165 N HA 0.502 5.242 4.740 -0.000 0.000 0.312 165 N C -0.763 174.676 175.510 -0.120 0.000 1.433 165 N CA 0.113 53.140 53.050 -0.039 0.000 1.141 165 N CB 0.921 39.370 38.487 -0.064 0.000 1.431 165 N HN 0.235 nan 8.380 nan 0.000 0.523 166 A N 0.716 123.507 122.820 -0.049 0.000 2.104 166 A HA 0.146 4.466 4.320 -0.000 0.000 0.294 166 A C -0.810 176.840 177.584 0.110 0.000 0.988 166 A CA -0.777 51.186 52.037 -0.123 0.000 0.992 166 A CB -0.064 18.617 19.000 -0.532 0.000 1.198 166 A HN 0.174 nan 8.150 nan 0.000 0.345 167 I N 2.634 123.244 120.570 0.067 0.000 2.710 167 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 167 I C 0.830 177.041 176.117 0.156 0.000 1.181 167 I CA -0.029 61.336 61.300 0.107 0.000 1.430 167 I CB 0.849 38.895 38.000 0.076 0.000 1.367 167 I HN 0.632 nan 8.210 nan 0.000 0.577 168 I N 2.827 123.477 120.570 0.134 0.000 3.994 168 I HA 0.322 4.492 4.170 -0.000 0.000 0.323 168 I C 0.554 176.850 176.117 0.298 0.000 1.501 168 I CA 0.243 61.549 61.300 0.010 0.000 1.112 168 I CB -0.722 37.235 38.000 -0.072 0.000 1.254 168 I HN 0.594 nan 8.210 nan 0.000 0.495 169 N N 1.827 120.675 118.700 0.247 0.000 2.320 169 N HA 0.003 4.743 4.740 -0.000 0.000 0.237 169 N C 0.201 175.831 175.510 0.200 0.000 1.129 169 N CA 0.349 53.536 53.050 0.228 0.000 0.854 169 N CB 0.352 38.926 38.487 0.145 0.000 1.083 169 N HN 0.443 nan 8.380 nan 0.000 0.504 170 D N -1.086 119.463 120.400 0.248 0.000 2.368 170 D HA 0.157 4.797 4.640 -0.000 0.000 0.218 170 D C 1.256 177.648 176.300 0.154 0.000 1.112 170 D CA 0.186 54.300 54.000 0.189 0.000 0.834 170 D CB -0.080 40.845 40.800 0.209 0.000 0.953 170 D HN 0.233 nan 8.370 nan 0.000 0.505 171 G N 0.165 109.065 108.800 0.167 0.000 2.212 171 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.266 171 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.266 171 G C 0.296 175.250 174.900 0.090 0.000 0.978 171 G CA 0.503 45.681 45.100 0.130 0.000 0.632 171 G HN 0.497 nan 8.290 nan 0.000 0.537 172 K N -0.769 119.652 120.400 0.036 0.000 2.109 172 K HA 0.540 4.860 4.320 -0.000 0.000 0.243 172 K C -0.214 176.173 176.600 -0.355 0.000 1.006 172 K CA -0.994 55.221 56.287 -0.119 0.000 0.917 172 K CB 1.093 33.505 32.500 -0.147 0.000 1.081 172 K HN 0.128 nan 8.250 nan 0.000 0.468 173 Y N 2.291 122.270 120.300 -0.536 0.000 2.377 173 Y HA 0.060 4.610 4.550 -0.000 0.000 0.330 173 Y C -0.379 174.971 175.900 -0.915 0.000 1.108 173 Y CA 0.393 58.089 58.100 -0.672 0.000 1.308 173 Y CB 0.392 38.497 38.460 -0.592 0.000 1.216 173 Y HN 0.447 nan 8.280 nan 0.000 0.518 174 H N 3.845 122.142 119.070 -1.289 0.000 2.865 174 H HA 0.601 5.157 4.556 -0.000 0.000 0.372 174 H C -1.253 173.307 175.328 -1.279 0.000 1.173 174 H CA -0.853 54.497 56.048 -1.163 0.000 1.147 174 H CB 1.855 30.985 29.762 -1.053 0.000 1.805 174 H HN 0.449 nan 8.280 nan 0.000 0.553 175 V N 1.818 121.374 119.914 -0.597 0.000 2.604 175 V HA 0.320 4.440 4.120 -0.000 0.000 0.305 175 V C -0.375 175.629 176.094 -0.150 0.000 1.043 175 V CA -0.766 61.327 62.300 -0.346 0.000 0.888 175 V CB 2.379 34.067 31.823 -0.224 0.000 0.995 175 V HN 0.453 nan 8.190 nan 0.000 0.429 176 V N 6.444 126.365 119.914 0.012 0.000 2.656 176 V HA 0.699 4.819 4.120 -0.000 0.000 0.307 176 V C -0.703 175.424 176.094 0.055 0.000 1.051 176 V CA -0.533 61.794 62.300 0.044 0.000 0.893 176 V CB 2.029 33.928 31.823 0.127 0.000 0.999 176 V HN 0.948 nan 8.190 nan 0.000 0.426 177 R N 5.681 126.208 120.500 0.044 0.000 2.513 177 R HA 0.551 4.891 4.340 -0.000 0.000 0.301 177 R C -1.650 174.713 176.300 0.105 0.000 0.968 177 R CA -0.409 55.730 56.100 0.066 0.000 0.872 177 R CB 2.438 32.740 30.300 0.003 0.000 1.177 177 R HN 0.678 nan 8.270 nan 0.000 0.444 178 F N 1.133 121.080 119.950 -0.006 0.000 2.520 178 F HA 0.569 5.096 4.527 0.000 0.000 0.322 178 F C -0.908 174.872 175.800 -0.033 0.000 1.103 178 F CA -0.265 57.718 58.000 -0.027 0.000 0.926 178 F CB 2.407 41.389 39.000 -0.031 0.000 1.154 178 F HN 0.298 nan 8.300 nan 0.000 0.453 179 T N 6.086 119.937 114.554 -1.172 0.000 2.912 179 T HA 0.487 4.837 4.350 -0.000 0.000 0.299 179 T C -1.552 172.454 174.700 -1.157 0.000 1.052 179 T CA -0.728 60.846 62.100 -0.877 0.000 0.996 179 T CB 1.646 70.257 68.868 -0.429 0.000 1.070 179 T HN 0.742 nan 8.240 nan 0.000 0.465 180 R N 1.627 121.695 120.500 -0.720 0.000 2.538 180 R HA 0.609 4.949 4.340 -0.000 0.000 0.292 180 R C -1.404 174.733 176.300 -0.272 0.000 1.008 180 R CA -0.471 55.313 56.100 -0.526 0.000 0.896 180 R CB 1.480 31.483 30.300 -0.494 0.000 1.187 180 R HN 0.591 nan 8.270 nan 0.000 0.440 181 S N 3.304 118.885 115.700 -0.199 0.000 2.653 181 S HA 0.504 4.974 4.470 -0.000 0.000 0.272 181 S C 0.480 175.047 174.600 -0.055 0.000 1.221 181 S CA 0.508 58.646 58.200 -0.104 0.000 1.149 181 S CB 0.720 63.871 63.200 -0.082 0.000 1.029 181 S HN 1.067 nan 8.310 nan 0.000 0.481 182 G N 4.343 113.124 108.800 -0.032 0.000 2.601 182 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.306 182 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.306 182 G C 0.899 175.815 174.900 0.027 0.000 1.172 182 G CA 0.279 45.383 45.100 0.007 0.000 0.966 182 G HN 1.540 nan 8.290 nan 0.000 0.542 183 G N 0.653 109.482 108.800 0.048 0.000 3.088 183 G HA2 0.350 4.310 3.960 -0.000 0.000 0.217 183 G HA3 0.350 4.310 3.960 -0.000 0.000 0.217 183 G C 0.438 175.383 174.900 0.074 0.000 1.159 183 G CA 0.741 45.895 45.100 0.089 0.000 0.760 183 G HN 0.636 nan 8.290 nan 0.000 0.550 184 N N 1.090 119.782 118.700 -0.012 0.000 2.498 184 N HA 0.619 5.359 4.740 -0.000 0.000 0.287 184 N C -0.284 175.094 175.510 -0.221 0.000 1.097 184 N CA -0.038 52.916 53.050 -0.161 0.000 0.973 184 N CB 1.935 40.313 38.487 -0.181 0.000 1.153 184 N HN 0.177 nan 8.380 nan 0.000 0.472 185 A N 0.690 123.352 122.820 -0.263 0.000 2.469 185 A HA 0.836 5.156 4.320 -0.000 0.000 0.299 185 A C -0.516 176.889 177.584 -0.298 0.000 1.098 185 A CA -0.501 51.370 52.037 -0.276 0.000 0.737 185 A CB 1.563 20.608 19.000 0.076 0.000 1.312 185 A HN 0.465 nan 8.150 nan 0.000 0.414 186 T N 0.412 114.752 114.554 -0.357 0.000 2.916 186 T HA 0.620 4.970 4.350 -0.000 0.000 0.305 186 T C -1.777 172.837 174.700 -0.143 0.000 1.119 186 T CA -0.209 61.756 62.100 -0.225 0.000 1.008 186 T CB 1.304 70.026 68.868 -0.242 0.000 1.129 186 T HN 0.892 nan 8.240 nan 0.000 0.480 187 L N 2.931 124.150 121.223 -0.006 0.000 2.482 187 L HA 0.704 5.044 4.340 -0.000 0.000 0.263 187 L C -1.327 175.573 176.870 0.049 0.000 0.957 187 L CA -0.198 54.688 54.840 0.076 0.000 0.836 187 L CB 2.177 44.327 42.059 0.152 0.000 1.324 187 L HN 0.705 nan 8.230 nan 0.000 0.406 188 Q N 3.338 123.157 119.800 0.032 0.000 2.284 188 Q HA 0.683 5.022 4.340 -0.000 0.000 0.269 188 Q C -2.132 173.828 176.000 -0.066 0.000 1.026 188 Q CA -0.700 55.104 55.803 0.002 0.000 0.831 188 Q CB 2.458 31.188 28.738 -0.014 0.000 1.322 188 Q HN 0.531 nan 8.270 nan 0.000 0.419 189 V N 4.733 124.551 119.914 -0.159 0.000 2.435 189 V HA 0.266 4.386 4.120 -0.000 0.000 0.290 189 V C 0.204 175.869 176.094 -0.715 0.000 1.030 189 V CA -0.136 61.906 62.300 -0.428 0.000 0.881 189 V CB 1.388 32.854 31.823 -0.594 0.000 0.983 189 V HN 1.063 nan 8.190 nan 0.000 0.445 190 D N 3.434 123.488 120.400 -0.577 0.000 3.750 190 D HA -0.270 4.370 4.640 -0.000 0.000 0.149 190 D C 1.158 177.272 176.300 -0.310 0.000 0.867 190 D CA 1.980 55.693 54.000 -0.478 0.000 1.010 190 D CB -0.675 39.742 40.800 -0.637 0.000 0.462 190 D HN 0.628 nan 8.370 nan 0.000 0.436 191 S N -0.394 115.165 115.700 -0.236 0.000 2.602 191 S HA 0.117 4.587 4.470 -0.000 0.000 0.240 191 S C -0.211 174.504 174.600 0.192 0.000 0.992 191 S CA -0.634 57.570 58.200 0.007 0.000 0.971 191 S CB 0.191 63.434 63.200 0.071 0.000 0.855 191 S HN 0.215 nan 8.310 nan 0.000 0.481 192 W N 3.687 124.997 121.300 0.017 0.000 2.079 192 W HA 0.287 4.947 4.660 -0.000 0.000 0.354 192 W C -2.427 174.102 176.519 0.016 0.000 1.302 192 W CA -2.980 54.374 57.345 0.016 0.000 1.281 192 W CB -1.040 28.428 29.460 0.013 0.000 1.165 192 W HN 0.005 nan 8.180 nan 0.000 0.603 193 P HA -0.006 nan 4.420 nan 0.000 0.265 193 P C -0.137 177.239 177.300 0.127 0.000 1.193 193 P CA 0.067 63.253 63.100 0.143 0.000 0.765 193 P CB 0.457 32.221 31.700 0.106 0.000 0.823 194 V N 4.924 124.889 119.914 0.085 0.000 2.673 194 V HA -0.034 4.086 4.120 -0.000 0.000 0.303 194 V C 1.072 177.207 176.094 0.069 0.000 1.046 194 V CA 0.468 62.806 62.300 0.063 0.000 1.126 194 V CB -0.304 31.541 31.823 0.036 0.000 0.934 194 V HN 0.353 nan 8.190 nan 0.000 0.487 195 I N 4.872 125.480 120.570 0.064 0.000 2.336 195 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 195 I C 0.151 176.288 176.117 0.033 0.000 0.991 195 I CA -0.193 61.146 61.300 0.066 0.000 1.227 195 I CB 1.057 39.107 38.000 0.083 0.000 1.366 195 I HN 0.681 nan 8.210 nan 0.000 0.466 196 E N 6.613 126.838 120.200 0.041 0.000 2.199 196 E HA 0.574 4.924 4.350 -0.000 0.000 0.269 196 E C -0.803 175.771 176.600 -0.044 0.000 0.899 196 E CA -1.024 55.360 56.400 -0.026 0.000 0.772 196 E CB 2.920 32.684 29.700 0.106 0.000 1.155 196 E HN 0.414 nan 8.360 nan 0.000 0.408 197 R N 2.875 123.226 120.500 -0.249 0.000 2.502 197 R HA 0.357 4.697 4.340 -0.000 0.000 0.300 197 R C -1.771 174.317 176.300 -0.353 0.000 0.984 197 R CA -0.546 55.468 56.100 -0.144 0.000 0.882 197 R CB 0.911 31.199 30.300 -0.021 0.000 1.180 197 R HN 0.536 nan 8.270 nan 0.000 0.444 198 Y N 4.075 124.399 120.300 0.041 0.000 2.391 198 Y HA 0.438 4.988 4.550 -0.000 0.000 0.341 198 Y C -1.674 174.244 175.900 0.030 0.000 0.965 198 Y CA -1.914 56.207 58.100 0.034 0.000 1.067 198 Y CB 1.578 40.051 38.460 0.021 0.000 1.199 198 Y HN 0.522 nan 8.280 nan 0.000 0.450 199 P HA 0.651 nan 4.420 nan 0.000 0.280 199 P C -0.917 176.437 177.300 0.090 0.000 1.272 199 P CA -0.440 62.718 63.100 0.097 0.000 0.819 199 P CB 1.833 33.574 31.700 0.068 0.000 1.122 232 R N 0.457 120.969 120.500 0.021 0.000 2.537 232 R HA 0.406 4.746 4.340 -0.000 0.000 0.280 232 R C -0.432 175.882 176.300 0.024 0.000 1.058 232 R CA 0.045 56.158 56.100 0.022 0.000 1.057 232 R CB 0.605 30.915 30.300 0.017 0.000 0.973 232 R HN 0.381 nan 8.270 nan 0.000 0.438 233 Q N 2.253 122.071 119.800 0.030 0.000 2.397 233 Q HA 0.346 4.686 4.340 -0.000 0.000 0.275 233 Q C -0.573 175.449 176.000 0.036 0.000 1.090 233 Q CA -0.890 54.934 55.803 0.034 0.000 0.809 233 Q CB 2.603 31.369 28.738 0.046 0.000 1.362 233 Q HN 0.459 nan 8.270 nan 0.000 0.431 234 L N 1.271 122.516 121.223 0.037 0.000 2.397 234 L HA 0.220 4.560 4.340 -0.000 0.000 0.271 234 L C 1.293 178.195 176.870 0.054 0.000 1.148 234 L CA 0.278 55.142 54.840 0.041 0.000 0.825 234 L CB 0.606 42.688 42.059 0.039 0.000 1.117 234 L HN 0.828 nan 8.230 nan 0.000 0.456 235 T N -1.331 113.253 114.554 0.050 0.000 3.040 235 T HA 0.394 4.744 4.350 -0.000 0.000 0.266 235 T C 0.289 175.025 174.700 0.060 0.000 1.005 235 T CA -0.192 61.939 62.100 0.051 0.000 0.906 235 T CB -0.009 68.881 68.868 0.036 0.000 1.082 235 T HN 0.258 nan 8.240 nan 0.000 0.531 236 I N 1.906 122.520 120.570 0.074 0.000 2.404 236 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 236 I C -0.890 175.335 176.117 0.180 0.000 0.992 236 I CA -1.318 60.043 61.300 0.101 0.000 1.149 236 I CB 1.796 39.838 38.000 0.069 0.000 1.315 236 I HN 0.039 nan 8.210 nan 0.000 0.446 237 F N 6.373 126.328 119.950 0.009 0.000 2.368 237 F HA 0.390 4.917 4.527 -0.000 0.000 0.362 237 F C -0.115 175.680 175.800 -0.009 0.000 1.137 237 F CA -1.380 56.631 58.000 0.019 0.000 1.161 237 F CB -0.296 38.724 39.000 0.032 0.000 1.265 237 F HN 0.439 nan 8.300 nan 0.000 0.530 238 N N 2.659 121.537 118.700 0.296 0.000 2.529 238 N HA 0.126 4.866 4.740 -0.000 0.000 0.278 238 N C 0.213 175.690 175.510 -0.056 0.000 1.146 238 N CA -0.029 53.062 53.050 0.068 0.000 0.980 238 N CB 0.892 39.423 38.487 0.074 0.000 1.124 238 N HN 0.551 nan 8.380 nan 0.000 0.458 239 S N 0.521 116.134 115.700 -0.146 0.000 3.336 239 S HA -0.251 4.219 4.470 -0.000 0.000 0.362 239 S C -0.466 173.964 174.600 -0.284 0.000 0.941 239 S CA 0.168 58.251 58.200 -0.195 0.000 1.297 239 S CB -1.198 61.950 63.200 -0.088 0.000 0.915 239 S HN 0.516 nan 8.310 nan 0.000 0.527 240 Q N 1.087 120.557 119.800 -0.551 0.000 2.289 240 Q HA 0.412 4.752 4.340 -0.000 0.000 0.273 240 Q C 1.142 176.901 176.000 -0.403 0.000 1.029 240 Q CA 0.559 55.976 55.803 -0.644 0.000 0.896 240 Q CB 0.793 28.892 28.738 -1.065 0.000 1.182 240 Q HN 0.640 nan 8.270 nan 0.000 0.385 241 A N 2.661 125.490 122.820 0.016 0.000 2.070 241 A HA 0.157 4.477 4.320 -0.000 0.000 0.202 241 A C 0.550 178.384 177.584 0.417 0.000 1.277 241 A CA 0.881 53.050 52.037 0.220 0.000 0.872 241 A CB 0.698 19.758 19.000 0.101 0.000 0.933 241 A HN 0.707 nan 8.150 nan 0.000 0.475 242 T N -2.272 112.506 114.554 0.374 0.000 2.894 242 T HA 0.684 5.034 4.350 -0.000 0.000 0.309 242 T C -1.104 173.728 174.700 0.219 0.000 1.208 242 T CA -0.433 61.814 62.100 0.244 0.000 1.016 242 T CB 1.297 70.229 68.868 0.108 0.000 1.192 242 T HN 0.163 nan 8.240 nan 0.000 0.491 243 I N 2.315 122.940 120.570 0.091 0.000 2.411 243 I HA 0.443 4.613 4.170 -0.000 0.000 0.284 243 I C -0.720 175.394 176.117 -0.005 0.000 1.012 243 I CA -0.892 60.408 61.300 0.000 0.000 1.119 243 I CB 1.415 39.347 38.000 -0.114 0.000 1.261 243 I HN 0.553 nan 8.210 nan 0.000 0.448 244 I N 7.288 127.853 120.570 -0.009 0.000 2.339 244 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 244 I C -0.410 175.687 176.117 -0.035 0.000 0.994 244 I CA -0.473 60.822 61.300 -0.009 0.000 1.191 244 I CB 1.551 39.554 38.000 0.005 0.000 1.343 244 I HN 0.399 nan 8.210 nan 0.000 0.458 245 I N 5.393 125.949 120.570 -0.023 0.000 2.378 245 I HA 0.577 4.747 4.170 -0.000 0.000 0.291 245 I C 0.878 176.981 176.117 -0.023 0.000 0.992 245 I CA 0.025 61.288 61.300 -0.061 0.000 1.154 245 I CB 1.693 39.678 38.000 -0.024 0.000 1.315 245 I HN 0.867 nan 8.210 nan 0.000 0.448 246 G N 3.378 112.051 108.800 -0.211 0.000 2.545 246 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.195 246 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.195 246 G C 1.008 175.885 174.900 -0.038 0.000 1.009 246 G CA -0.157 44.828 45.100 -0.192 0.000 0.703 246 G HN 1.373 nan 8.290 nan 0.000 0.479 247 G N 0.432 109.218 108.800 -0.024 0.000 2.184 247 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.264 247 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.264 247 G C 1.108 176.026 174.900 0.030 0.000 0.975 247 G CA 1.723 46.826 45.100 0.005 0.000 0.642 247 G HN 1.059 nan 8.290 nan 0.000 0.536 248 K N 0.362 120.794 120.400 0.054 0.000 2.009 248 K HA -0.094 4.226 4.320 -0.000 0.000 0.210 248 K C 2.144 178.761 176.600 0.028 0.000 1.049 248 K CA 1.811 58.130 56.287 0.054 0.000 0.929 248 K CB -0.223 32.324 32.500 0.078 0.000 0.714 248 K HN 0.488 nan 8.250 nan 0.000 0.440 249 E N -0.108 120.106 120.200 0.022 0.000 2.333 249 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 249 E C 1.251 177.846 176.600 -0.007 0.000 1.007 249 E CA 0.963 57.367 56.400 0.007 0.000 0.845 249 E CB 0.256 29.960 29.700 0.006 0.000 0.766 249 E HN 0.269 nan 8.360 nan 0.000 0.507 250 Q N -1.232 118.562 119.800 -0.010 0.000 2.360 250 Q HA 0.191 4.531 4.340 -0.000 0.000 0.202 250 Q C 0.840 176.827 176.000 -0.022 0.000 0.915 250 Q CA 0.639 56.426 55.803 -0.026 0.000 0.943 250 Q CB 1.103 29.823 28.738 -0.030 0.000 1.064 250 Q HN 0.355 nan 8.270 nan 0.000 0.511 251 G N 0.547 109.343 108.800 -0.007 0.000 2.143 251 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 251 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 251 G C -0.018 174.883 174.900 0.001 0.000 0.991 251 G CA 0.097 45.195 45.100 -0.005 0.000 0.689 251 G HN 0.372 nan 8.290 nan 0.000 0.522 252 Q N -0.144 119.662 119.800 0.009 0.000 3.484 252 Q HA 0.258 4.598 4.340 -0.000 0.000 0.255 252 Q C -2.775 173.248 176.000 0.039 0.000 0.909 252 Q CA -1.815 53.999 55.803 0.018 0.000 0.774 252 Q CB 2.080 30.825 28.738 0.011 0.000 1.431 252 Q HN 0.254 nan 8.270 nan 0.000 0.423 253 P HA -0.137 nan 4.420 nan 0.000 0.263 253 P C -0.801 176.545 177.300 0.076 0.000 1.175 253 P CA 0.265 63.408 63.100 0.070 0.000 0.761 253 P CB 0.253 31.991 31.700 0.064 0.000 0.794 254 F N 3.559 123.467 119.950 -0.069 0.000 2.384 254 F HA 0.297 4.824 4.527 0.000 0.000 0.338 254 F C 0.159 175.958 175.800 -0.002 0.000 1.103 254 F CA 0.026 57.956 58.000 -0.116 0.000 1.157 254 F CB 0.942 39.736 39.000 -0.343 0.000 1.167 254 F HN 0.250 nan 8.300 nan 0.000 0.529 255 Q N 4.504 123.769 119.800 -0.892 0.000 2.310 255 Q HA 0.613 4.953 4.340 -0.000 0.000 0.270 255 Q C -0.229 175.263 176.000 -0.846 0.000 1.025 255 Q CA -0.513 54.972 55.803 -0.531 0.000 0.772 255 Q CB 1.938 30.525 28.738 -0.252 0.000 1.253 255 Q HN 1.098 nan 8.270 nan 0.000 0.450 256 G N 1.977 110.577 108.800 -0.334 0.000 2.260 256 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.250 256 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.250 256 G C -1.607 173.567 174.900 0.458 0.000 1.340 256 G CA -0.877 44.213 45.100 -0.016 0.000 1.056 256 G HN 0.441 nan 8.290 nan 0.000 0.471 257 Q N -0.374 119.783 119.800 0.595 0.000 2.342 257 Q HA 0.760 5.100 4.340 -0.000 0.000 0.267 257 Q C -0.728 175.636 176.000 0.605 0.000 1.038 257 Q CA -0.587 55.519 55.803 0.505 0.000 0.832 257 Q CB 2.567 31.322 28.738 0.029 0.000 1.323 257 Q HN 0.475 nan 8.270 nan 0.000 0.448 258 L N 1.468 122.973 121.223 0.470 0.000 2.381 258 L HA 0.729 5.069 4.340 -0.000 0.000 0.268 258 L C -0.589 176.493 176.870 0.354 0.000 0.997 258 L CA -0.618 54.422 54.840 0.334 0.000 0.818 258 L CB 2.064 44.211 42.059 0.146 0.000 1.310 258 L HN 0.782 nan 8.230 nan 0.000 0.416 259 S N -0.525 115.396 115.700 0.368 0.000 2.565 259 S HA 0.669 5.139 4.470 -0.000 0.000 0.269 259 S C 0.203 174.973 174.600 0.284 0.000 1.153 259 S CA -0.146 58.255 58.200 0.336 0.000 0.835 259 S CB 1.770 65.210 63.200 0.399 0.000 1.122 259 S HN 1.138 nan 8.310 nan 0.000 0.462 260 G N 0.188 109.125 108.800 0.228 0.000 2.283 260 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.280 260 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.280 260 G C -0.103 174.913 174.900 0.194 0.000 1.029 260 G CA 0.288 45.505 45.100 0.195 0.000 0.840 260 G HN 1.528 nan 8.290 nan 0.000 0.505 261 L N 0.569 121.896 121.223 0.174 0.000 2.534 261 L HA 0.580 4.920 4.340 -0.000 0.000 0.271 261 L C -0.074 176.901 176.870 0.175 0.000 1.178 261 L CA -0.835 54.095 54.840 0.151 0.000 0.907 261 L CB -0.001 42.111 42.059 0.088 0.000 1.164 261 L HN 0.284 nan 8.230 nan 0.000 0.482 262 Y N 6.065 126.417 120.300 0.086 0.000 2.350 262 Y HA 0.479 5.029 4.550 -0.000 0.000 0.338 262 Y C -1.750 174.235 175.900 0.140 0.000 0.961 262 Y CA -0.837 57.309 58.100 0.077 0.000 1.100 262 Y CB 1.157 39.647 38.460 0.051 0.000 1.179 262 Y HN 0.636 nan 8.280 nan 0.000 0.454 263 Y N 6.730 126.734 120.300 -0.494 0.000 2.322 263 Y HA 0.326 4.876 4.550 0.000 0.000 0.324 263 Y C -0.391 175.280 175.900 -0.381 0.000 1.027 263 Y CA -1.551 56.399 58.100 -0.250 0.000 1.179 263 Y CB 0.656 39.058 38.460 -0.097 0.000 1.136 263 Y HN 0.823 nan 8.280 nan 0.000 0.449 264 N N 4.527 122.717 118.700 -0.850 0.000 2.698 264 N HA -0.219 4.521 4.740 -0.000 0.000 0.258 264 N C 1.089 176.327 175.510 -0.453 0.000 0.978 264 N CA 1.972 54.681 53.050 -0.568 0.000 0.777 264 N CB -0.990 37.128 38.487 -0.614 0.000 0.907 264 N HN 1.374 nan 8.380 nan 0.000 0.543 265 G N -2.032 106.336 108.800 -0.720 0.000 2.217 265 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.246 265 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.246 265 G C 0.020 174.674 174.900 -0.409 0.000 0.990 265 G CA 0.300 45.165 45.100 -0.392 0.000 0.627 265 G HN 0.418 nan 8.290 nan 0.000 0.522 266 L N 0.774 121.694 121.223 -0.505 0.000 2.275 266 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 266 L C 0.494 177.169 176.870 -0.324 0.000 1.046 266 L CA -0.509 54.121 54.840 -0.351 0.000 0.805 266 L CB 1.414 43.250 42.059 -0.371 0.000 1.193 266 L HN 0.009 nan 8.230 nan 0.000 0.426 267 K N 2.936 123.233 120.400 -0.171 0.000 2.265 267 K HA 0.153 4.473 4.320 -0.000 0.000 0.242 267 K C 1.017 177.574 176.600 -0.071 0.000 1.137 267 K CA -0.315 55.942 56.287 -0.050 0.000 1.082 267 K CB 0.897 33.420 32.500 0.037 0.000 1.731 267 K HN 0.468 nan 8.250 nan 0.000 0.392 268 V N 1.756 121.599 119.914 -0.119 0.000 2.252 268 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 268 V C 2.065 178.138 176.094 -0.035 0.000 1.056 268 V CA 1.771 63.986 62.300 -0.142 0.000 1.022 268 V CB -0.522 31.196 31.823 -0.175 0.000 0.641 268 V HN 0.678 nan 8.190 nan 0.000 0.445 269 L N -0.109 121.141 121.223 0.045 0.000 2.083 269 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 269 L C 2.371 179.361 176.870 0.200 0.000 1.083 269 L CA 1.872 56.808 54.840 0.159 0.000 0.752 269 L CB -0.902 41.316 42.059 0.266 0.000 0.899 269 L HN 0.474 nan 8.230 nan 0.000 0.433 270 N N 0.008 118.778 118.700 0.117 0.000 2.069 270 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 270 N C 1.969 177.521 175.510 0.070 0.000 1.031 270 N CA 1.305 54.408 53.050 0.089 0.000 0.852 270 N CB -0.117 38.404 38.487 0.057 0.000 1.018 270 N HN 0.323 nan 8.380 nan 0.000 0.423 271 M N 0.594 120.213 119.600 0.032 0.000 2.159 271 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 271 M C 2.348 178.681 176.300 0.055 0.000 1.063 271 M CA 1.074 56.387 55.300 0.022 0.000 1.110 271 M CB -0.206 32.375 32.600 -0.030 0.000 1.374 271 M HN 0.204 nan 8.290 nan 0.000 0.411 272 A N 0.196 123.059 122.820 0.071 0.000 2.015 272 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 272 A C 2.189 179.881 177.584 0.181 0.000 1.163 272 A CA 1.626 53.713 52.037 0.084 0.000 0.646 272 A CB -0.612 18.374 19.000 -0.024 0.000 0.806 272 A HN 0.494 nan 8.150 nan 0.000 0.448 273 A N -0.813 122.132 122.820 0.207 0.000 2.251 273 A HA 0.218 4.538 4.320 -0.000 0.000 0.209 273 A C 0.976 178.605 177.584 0.075 0.000 1.187 273 A CA 0.398 52.526 52.037 0.152 0.000 0.823 273 A CB -0.094 18.966 19.000 0.101 0.000 0.846 273 A HN 0.519 nan 8.150 nan 0.000 0.486 274 E N -0.135 120.105 120.200 0.067 0.000 2.989 274 E HA 0.098 4.448 4.350 -0.000 0.000 0.207 274 E C -0.403 176.219 176.600 0.037 0.000 0.989 274 E CA -0.578 55.847 56.400 0.042 0.000 1.186 274 E CB -0.073 29.648 29.700 0.034 0.000 1.141 274 E HN 0.441 nan 8.360 nan 0.000 0.454 275 N N 2.722 121.447 118.700 0.042 0.000 2.705 275 N HA -0.200 4.540 4.740 -0.000 0.000 0.255 275 N C -0.911 174.616 175.510 0.027 0.000 1.008 275 N CA 0.513 53.582 53.050 0.032 0.000 0.742 275 N CB -0.676 37.824 38.487 0.022 0.000 0.906 275 N HN 0.331 nan 8.380 nan 0.000 0.541 276 D N -0.275 120.146 120.400 0.035 0.000 2.425 276 D HA 0.191 4.831 4.640 -0.000 0.000 0.247 276 D C 1.283 177.593 176.300 0.017 0.000 1.147 276 D CA 0.746 54.768 54.000 0.038 0.000 0.879 276 D CB 0.937 41.777 40.800 0.067 0.000 1.179 276 D HN 0.489 nan 8.370 nan 0.000 0.456 277 A N 4.805 127.629 122.820 0.008 0.000 1.972 277 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 277 A C 1.482 179.035 177.584 -0.052 0.000 1.169 277 A CA 0.980 53.008 52.037 -0.016 0.000 0.635 277 A CB -0.070 18.922 19.000 -0.012 0.000 0.810 277 A HN 0.647 nan 8.150 nan 0.000 0.446 278 N N -0.336 118.316 118.700 -0.080 0.000 2.314 278 N HA 0.225 4.965 4.740 -0.000 0.000 0.200 278 N C -0.229 175.138 175.510 -0.239 0.000 1.135 278 N CA 0.287 53.203 53.050 -0.223 0.000 0.835 278 N CB 0.495 38.729 38.487 -0.420 0.000 0.989 278 N HN 0.440 nan 8.380 nan 0.000 0.478 279 I N 0.567 121.091 120.570 -0.078 0.000 2.562 279 I HA 0.517 4.687 4.170 -0.000 0.000 0.301 279 I C -0.408 175.682 176.117 -0.045 0.000 1.003 279 I CA -0.947 60.331 61.300 -0.037 0.000 1.127 279 I CB 2.012 40.033 38.000 0.036 0.000 1.304 279 I HN -0.135 nan 8.210 nan 0.000 0.446 280 A N 7.040 129.832 122.820 -0.047 0.000 2.398 280 A HA 0.789 5.109 4.320 -0.000 0.000 0.301 280 A C -0.966 176.594 177.584 -0.039 0.000 1.041 280 A CA -0.454 51.559 52.037 -0.039 0.000 0.711 280 A CB 1.211 20.187 19.000 -0.040 0.000 1.240 280 A HN 0.603 nan 8.150 nan 0.000 0.420 281 I N 2.192 122.741 120.570 -0.035 0.000 2.441 281 I HA 0.633 4.803 4.170 -0.000 0.000 0.295 281 I C -0.797 175.303 176.117 -0.028 0.000 0.994 281 I CA -0.967 60.304 61.300 -0.048 0.000 1.144 281 I CB 1.923 39.892 38.000 -0.051 0.000 1.314 281 I HN 0.342 nan 8.210 nan 0.000 0.445 282 V N 4.061 123.961 119.914 -0.024 0.000 2.971 282 V HA 0.851 4.971 4.120 -0.000 0.000 0.309 282 V C 0.346 176.440 176.094 -0.001 0.000 1.130 282 V CA 0.140 62.435 62.300 -0.007 0.000 0.964 282 V CB 1.768 33.593 31.823 0.003 0.000 1.029 282 V HN 1.114 nan 8.190 nan 0.000 0.427 283 G N 3.783 112.584 108.800 0.002 0.000 2.584 283 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.229 283 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.229 283 G C -0.111 174.785 174.900 -0.006 0.000 1.320 283 G CA 0.165 45.271 45.100 0.010 0.000 0.891 283 G HN 0.869 nan 8.290 nan 0.000 0.573 284 N N 0.657 119.361 118.700 0.007 0.000 2.895 284 N HA 0.446 5.186 4.740 -0.000 0.000 0.277 284 N C -0.408 175.061 175.510 -0.069 0.000 1.185 284 N CA 0.341 53.385 53.050 -0.009 0.000 1.106 284 N CB -0.100 38.399 38.487 0.020 0.000 1.422 284 N HN 0.724 nan 8.380 nan 0.000 0.521 285 V N 2.907 122.741 119.914 -0.134 0.000 2.760 285 V HA 0.603 4.723 4.120 -0.000 0.000 0.309 285 V C -0.240 175.787 176.094 -0.111 0.000 1.077 285 V CA -0.998 61.123 62.300 -0.298 0.000 0.910 285 V CB 2.297 33.849 31.823 -0.452 0.000 1.008 285 V HN 0.508 nan 8.190 nan 0.000 0.424 286 R N 3.217 123.685 120.500 -0.052 0.000 2.668 286 R HA 0.720 5.060 4.340 -0.000 0.000 0.272 286 R C -1.822 174.420 176.300 -0.096 0.000 1.019 286 R CA -0.969 55.136 56.100 0.008 0.000 0.894 286 R CB 2.013 32.289 30.300 -0.041 0.000 1.228 286 R HN 0.540 nan 8.270 nan 0.000 0.460 287 L N 2.873 123.939 121.223 -0.262 0.000 2.361 287 L HA 0.182 4.522 4.340 -0.000 0.000 0.278 287 L C -0.090 176.565 176.870 -0.358 0.000 1.113 287 L CA 0.340 54.782 54.840 -0.664 0.000 0.849 287 L CB 1.559 43.296 42.059 -0.536 0.000 1.155 287 L HN 0.731 nan 8.230 nan 0.000 0.452 288 V N 4.125 123.831 119.914 -0.347 0.000 3.151 288 V HA 0.636 4.756 4.120 -0.000 0.000 0.241 288 V C 0.891 176.885 176.094 -0.167 0.000 1.173 288 V CA 0.722 62.905 62.300 -0.195 0.000 1.154 288 V CB 0.307 32.040 31.823 -0.150 0.000 0.898 288 V HN 1.004 nan 8.190 nan 0.000 0.473 289 G N 0.000 108.685 108.800 -0.192 0.000 5.446 289 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 289 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 289 G CA 0.000 45.027 45.100 -0.122 0.000 0.502 289 G HN 0.000 nan 8.290 nan 0.000 0.925