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_C 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 VGNVRLVGEV 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 0.000 175.171 175.328 -0.262 0.000 0.993 82 H CA 0.000 55.719 56.048 -0.549 0.000 1.023 82 H CB 0.000 29.670 29.762 -0.153 0.000 1.292 83 A N 1.877 124.649 122.820 -0.081 0.000 2.290 83 A HA 0.787 5.107 4.320 0.000 0.000 0.310 83 A C 0.943 178.565 177.584 0.064 0.000 1.202 83 A CA 0.388 52.417 52.037 -0.013 0.000 0.837 83 A CB 0.848 19.834 19.000 -0.022 0.000 1.139 83 A HN 1.144 nan 8.150 nan 0.000 0.509 84 G N 0.831 109.658 108.800 0.045 0.000 2.587 84 G HA2 0.014 3.975 3.960 0.000 0.000 0.212 84 G HA3 0.014 3.975 3.960 0.000 0.000 0.212 84 G C -0.006 174.931 174.900 0.062 0.000 1.327 84 G CA -0.352 44.784 45.100 0.061 0.000 0.898 84 G HN 1.298 nan 8.290 nan 0.000 0.551 85 T N 1.366 115.965 114.554 0.075 0.000 2.928 85 T HA 0.535 4.885 4.350 0.000 0.000 0.305 85 T C 0.375 175.135 174.700 0.100 0.000 1.035 85 T CA 1.178 63.315 62.100 0.061 0.000 1.145 85 T CB 0.745 69.680 68.868 0.111 0.000 0.963 85 T HN 0.858 nan 8.240 nan 0.000 0.545 86 T N 2.691 117.241 114.554 -0.007 0.000 2.912 86 T HA 0.565 4.915 4.350 0.000 0.000 0.299 86 T C -1.423 173.211 174.700 -0.110 0.000 1.052 86 T CA -0.505 61.611 62.100 0.027 0.000 0.996 86 T CB 0.966 69.802 68.868 -0.054 0.000 1.070 86 T HN 0.448 nan 8.240 nan 0.000 0.465 87 Y N 0.821 121.155 120.300 0.058 0.000 2.512 87 Y HA 0.681 5.231 4.550 0.000 0.000 0.348 87 Y C -0.215 175.722 175.900 0.061 0.000 0.990 87 Y CA -1.185 56.913 58.100 -0.004 0.000 1.033 87 Y CB 1.559 39.981 38.460 -0.063 0.000 1.259 87 Y HN 0.460 nan 8.280 nan 0.000 0.461 88 I N 3.153 123.770 120.570 0.079 0.000 2.433 88 I HA 0.342 4.512 4.170 0.000 0.000 0.292 88 I C -1.382 174.737 176.117 0.004 0.000 1.001 88 I CA -0.702 60.682 61.300 0.141 0.000 1.119 88 I CB 1.294 39.326 38.000 0.054 0.000 1.289 88 I HN 0.368 nan 8.210 nan 0.000 0.438 89 F N 3.881 123.936 119.950 0.174 0.000 2.411 89 F HA 0.459 4.986 4.527 0.000 0.000 0.352 89 F C 0.446 176.273 175.800 0.045 0.000 1.123 89 F CA -0.320 57.764 58.000 0.141 0.000 1.044 89 F CB 1.621 40.770 39.000 0.249 0.000 1.135 89 F HN 0.313 nan 8.300 nan 0.000 0.461 90 S N 1.412 117.195 115.700 0.138 0.000 2.726 90 S HA 0.412 4.882 4.470 0.000 0.000 0.308 90 S C -0.605 174.032 174.600 0.062 0.000 1.115 90 S CA -1.315 56.929 58.200 0.072 0.000 0.965 90 S CB 1.403 64.626 63.200 0.038 0.000 1.145 90 S HN 0.571 nan 8.310 nan 0.000 0.532 91 K N 0.261 120.681 120.400 0.034 0.000 2.502 91 K HA -0.008 4.312 4.320 0.000 0.000 0.268 91 K C 1.170 177.792 176.600 0.036 0.000 1.025 91 K CA 1.401 57.704 56.287 0.027 0.000 1.139 91 K CB -0.715 31.796 32.500 0.017 0.000 0.810 91 K HN 1.000 nan 8.250 nan 0.000 0.483 92 G N 2.176 110.999 108.800 0.038 0.000 2.258 92 G HA2 -0.170 3.790 3.960 0.000 0.000 0.233 92 G HA3 -0.170 3.790 3.960 0.000 0.000 0.233 92 G C 0.599 175.539 174.900 0.066 0.000 1.006 92 G CA 0.060 45.185 45.100 0.042 0.000 0.620 92 G HN 1.696 nan 8.290 nan 0.000 0.511 93 G N -1.059 107.800 108.800 0.098 0.000 2.787 93 G HA2 0.524 4.484 3.960 0.000 0.000 0.685 93 G HA3 0.524 4.484 3.960 0.000 0.000 0.685 93 G C 0.607 175.612 174.900 0.176 0.000 1.437 93 G CA 0.701 45.897 45.100 0.160 0.000 0.872 93 G HN 2.342 nan 8.290 nan 0.000 0.566 94 G N -1.075 107.902 108.800 0.294 0.000 2.721 94 G HA2 0.897 4.857 3.960 0.000 0.000 0.296 94 G HA3 0.897 4.857 3.960 0.000 0.000 0.296 94 G C -0.935 174.153 174.900 0.313 0.000 1.383 94 G CA 0.617 45.853 45.100 0.227 0.000 0.788 94 G HN 1.305 nan 8.290 nan 0.000 0.500 95 Q N -0.751 119.174 119.800 0.207 0.000 2.403 95 Q HA 0.484 4.824 4.340 0.000 0.000 0.267 95 Q C -1.928 174.126 176.000 0.090 0.000 0.991 95 Q CA -0.597 55.324 55.803 0.197 0.000 0.906 95 Q CB 2.143 30.945 28.738 0.106 0.000 1.422 95 Q HN 0.526 nan 8.270 nan 0.000 0.400 96 I N 3.040 123.661 120.570 0.086 0.000 2.382 96 I HA 0.406 4.576 4.170 0.000 0.000 0.286 96 I C -0.700 175.409 176.117 -0.014 0.000 1.002 96 I CA -0.596 60.689 61.300 -0.025 0.000 1.135 96 I CB 2.104 40.035 38.000 -0.115 0.000 1.288 96 I HN 0.523 nan 8.210 nan 0.000 0.448 97 T N 5.282 119.823 114.554 -0.022 0.000 2.792 97 T HA 0.333 4.683 4.350 0.000 0.000 0.280 97 T C -1.030 173.655 174.700 -0.024 0.000 0.990 97 T CA -0.427 61.660 62.100 -0.022 0.000 0.960 97 T CB 1.057 69.908 68.868 -0.027 0.000 0.939 97 T HN 0.305 nan 8.240 nan 0.000 0.439 98 Y N 3.054 123.256 120.300 -0.163 0.000 2.331 98 Y HA 0.515 5.065 4.550 0.000 0.000 0.338 98 Y C -0.265 175.494 175.900 -0.235 0.000 0.976 98 Y CA -0.937 57.018 58.100 -0.240 0.000 1.137 98 Y CB 0.804 39.042 38.460 -0.370 0.000 1.172 98 Y HN 0.419 nan 8.280 nan 0.000 0.478 99 K N 6.580 126.465 120.400 -0.859 0.000 2.307 99 K HA 0.168 4.489 4.320 0.000 0.000 0.263 99 K C -0.906 175.240 176.600 -0.757 0.000 0.973 99 K CA -0.679 55.275 56.287 -0.556 0.000 0.846 99 K CB 1.112 33.455 32.500 -0.261 0.000 1.100 99 K HN 0.626 nan 8.250 nan 0.000 0.438 100 W N 4.503 125.515 121.300 -0.479 0.000 2.158 100 W HA 0.086 4.746 4.660 0.000 0.000 0.339 100 W C -1.871 174.544 176.519 -0.173 0.000 1.294 100 W CA -1.533 55.659 57.345 -0.254 0.000 1.231 100 W CB 0.370 29.810 29.460 -0.033 0.000 1.143 100 W HN 0.320 nan 8.180 nan 0.000 0.571 101 P HA 0.065 nan 4.420 nan 0.000 0.271 101 P C -1.972 175.372 177.300 0.073 0.000 1.216 101 P CA -0.909 62.227 63.100 0.060 0.000 0.776 101 P CB 0.454 32.186 31.700 0.053 0.000 0.881 102 P HA -0.240 nan 4.420 nan 0.000 0.226 102 P C 0.553 177.860 177.300 0.011 0.000 1.154 102 P CA 1.795 64.908 63.100 0.020 0.000 0.918 102 P CB -0.199 31.507 31.700 0.010 0.000 0.790 103 N N -0.805 117.904 118.700 0.015 0.000 2.455 103 N HA 0.033 4.773 4.740 0.000 0.000 0.258 103 N C -0.094 175.420 175.510 0.005 0.000 1.158 103 N CA 0.322 53.374 53.050 0.004 0.000 0.893 103 N CB 0.237 38.727 38.487 0.005 0.000 1.173 103 N HN 0.151 nan 8.380 nan 0.000 0.503 104 D N 0.178 120.583 120.400 0.008 0.000 2.640 104 D HA 0.089 4.729 4.640 0.000 0.000 0.282 104 D C -0.173 176.070 176.300 -0.095 0.000 1.558 104 D CA -0.205 53.800 54.000 0.007 0.000 0.820 104 D CB 0.743 41.600 40.800 0.094 0.000 1.243 104 D HN 0.073 nan 8.370 nan 0.000 0.456 105 R N 2.039 122.438 120.500 -0.168 0.000 2.370 105 R HA 0.255 4.595 4.340 0.000 0.000 0.309 105 R C -2.102 173.919 176.300 -0.465 0.000 1.059 105 R CA -0.747 55.108 56.100 -0.407 0.000 0.981 105 R CB 0.524 30.673 30.300 -0.251 0.000 0.972 105 R HN 0.069 nan 8.270 nan 0.000 0.437 106 P HA 0.155 nan 4.420 nan 0.000 0.281 106 P C -0.960 176.090 177.300 -0.417 0.000 1.249 106 P CA -0.526 62.289 63.100 -0.476 0.000 0.810 106 P CB 1.505 32.917 31.700 -0.480 0.000 1.008 107 S N 0.385 115.932 115.700 -0.255 0.000 2.519 107 S HA 0.610 5.080 4.470 0.000 0.000 0.309 107 S C -0.121 174.406 174.600 -0.121 0.000 1.100 107 S CA -0.456 57.637 58.200 -0.179 0.000 1.059 107 S CB 1.310 64.448 63.200 -0.103 0.000 1.008 107 S HN 0.687 nan 8.310 nan 0.000 0.478 108 T N -0.161 114.349 114.554 -0.073 0.000 2.906 108 T HA 0.554 4.904 4.350 0.000 0.000 0.295 108 T C 0.481 175.201 174.700 0.034 0.000 1.061 108 T CA -0.916 61.167 62.100 -0.028 0.000 1.000 108 T CB 1.892 70.735 68.868 -0.041 0.000 1.103 108 T HN 0.343 nan 8.240 nan 0.000 0.486 109 R N 0.357 120.865 120.500 0.013 0.000 2.237 109 R HA 0.475 4.815 4.340 0.000 0.000 0.195 109 R C 0.223 176.528 176.300 0.007 0.000 0.956 109 R CA 0.390 56.502 56.100 0.020 0.000 1.029 109 R CB -0.166 30.137 30.300 0.006 0.000 0.972 109 R HN 0.904 nan 8.270 nan 0.000 0.493 110 A N 0.717 123.533 122.820 -0.007 0.000 2.449 110 A HA 0.600 4.920 4.320 0.000 0.000 0.302 110 A C -1.675 175.891 177.584 -0.029 0.000 1.048 110 A CA -0.795 51.221 52.037 -0.036 0.000 0.708 110 A CB 1.584 20.553 19.000 -0.051 0.000 1.274 110 A HN 0.095 nan 8.150 nan 0.000 0.410 111 D N 0.902 121.280 120.400 -0.037 0.000 2.619 111 D HA 0.531 5.171 4.640 0.000 0.000 0.241 111 D C -0.817 175.476 176.300 -0.013 0.000 1.087 111 D CA -0.267 53.739 54.000 0.009 0.000 0.851 111 D CB 1.971 42.904 40.800 0.221 0.000 1.474 111 D HN 0.516 nan 8.370 nan 0.000 0.478 112 R N 1.188 121.688 120.500 0.001 0.000 2.451 112 R HA 0.531 4.871 4.340 0.000 0.000 0.307 112 R C -1.089 175.359 176.300 0.247 0.000 0.965 112 R CA -0.901 55.256 56.100 0.095 0.000 0.865 112 R CB 1.986 32.356 30.300 0.117 0.000 1.174 112 R HN 0.223 nan 8.270 nan 0.000 0.455 113 L N 2.207 123.642 121.223 0.353 0.000 2.381 113 L HA 0.816 5.156 4.340 0.000 0.000 0.274 113 L C -1.393 175.657 176.870 0.299 0.000 0.988 113 L CA -0.241 54.849 54.840 0.418 0.000 0.824 113 L CB 1.964 44.297 42.059 0.456 0.000 1.263 113 L HN 0.785 nan 8.230 nan 0.000 0.410 114 A N 5.815 128.807 122.820 0.286 0.000 2.449 114 A HA 0.889 5.210 4.320 0.000 0.000 0.302 114 A C -1.481 176.205 177.584 0.170 0.000 1.048 114 A CA -0.482 51.662 52.037 0.179 0.000 0.708 114 A CB 1.360 20.422 19.000 0.102 0.000 1.274 114 A HN 0.863 nan 8.150 nan 0.000 0.410 115 I N 0.694 121.340 120.570 0.127 0.000 2.842 115 I HA 0.636 4.806 4.170 0.000 0.000 0.297 115 I C -0.073 176.128 176.117 0.138 0.000 1.380 115 I CA -0.488 60.894 61.300 0.135 0.000 1.018 115 I CB 2.163 40.217 38.000 0.089 0.000 1.311 115 I HN 0.890 nan 8.210 nan 0.000 0.439 116 G N 5.030 113.924 108.800 0.156 0.000 2.371 116 G HA2 0.697 4.657 3.960 0.000 0.000 0.326 116 G HA3 0.697 4.657 3.960 0.000 0.000 0.326 116 G C -1.380 173.623 174.900 0.172 0.000 1.127 116 G CA -0.393 44.693 45.100 -0.024 0.000 0.885 116 G HN 0.642 nan 8.290 nan 0.000 0.477 117 F N -0.159 119.711 119.950 -0.133 0.000 2.686 117 F HA 0.825 5.352 4.527 0.000 0.000 0.311 117 F C -0.576 175.362 175.800 0.231 0.000 1.128 117 F CA -1.395 56.711 58.000 0.177 0.000 0.946 117 F CB 1.747 40.766 39.000 0.032 0.000 1.336 117 F HN 0.679 nan 8.300 nan 0.000 0.457 118 S N 0.552 116.604 115.700 0.587 0.000 2.566 118 S HA 0.766 5.236 4.470 0.000 0.000 0.273 118 S C -1.023 173.878 174.600 0.501 0.000 1.157 118 S CA -0.272 58.169 58.200 0.401 0.000 0.938 118 S CB 1.359 64.788 63.200 0.382 0.000 1.087 118 S HN 1.356 nan 8.310 nan 0.000 0.474 119 T N -0.301 114.483 114.554 0.383 0.000 2.733 119 T HA 0.520 4.870 4.350 0.000 0.000 0.312 119 T C -0.562 174.241 174.700 0.172 0.000 1.590 119 T CA 0.095 62.312 62.100 0.196 0.000 1.005 119 T CB 1.060 70.032 68.868 0.175 0.000 1.528 119 T HN 1.704 nan 8.240 nan 0.000 0.496 120 V N -0.326 119.633 119.914 0.075 0.000 3.398 120 V HA 0.495 4.615 4.120 0.000 0.000 0.298 120 V C 0.474 176.598 176.094 0.050 0.000 1.496 120 V CA -0.187 62.160 62.300 0.078 0.000 1.044 120 V CB -0.201 31.655 31.823 0.054 0.000 0.880 120 V HN 0.764 nan 8.190 nan 0.000 0.443 121 Q N 0.961 120.775 119.800 0.024 0.000 2.392 121 Q HA 0.270 4.610 4.340 0.000 0.000 0.262 121 Q C 0.736 176.762 176.000 0.042 0.000 1.003 121 Q CA 0.204 56.014 55.803 0.011 0.000 0.888 121 Q CB 1.573 30.295 28.738 -0.028 0.000 1.260 121 Q HN 0.353 nan 8.270 nan 0.000 0.435 122 K N 0.732 121.146 120.400 0.023 0.000 2.166 122 K HA 0.002 4.322 4.320 0.000 0.000 0.201 122 K C -0.188 176.422 176.600 0.016 0.000 1.052 122 K CA 0.788 57.082 56.287 0.011 0.000 0.969 122 K CB 0.682 33.173 32.500 -0.015 0.000 0.761 122 K HN 0.466 nan 8.250 nan 0.000 0.459 123 E N -0.015 120.203 120.200 0.030 0.000 2.210 123 E HA 0.561 4.911 4.350 0.000 0.000 0.266 123 E C -1.305 175.331 176.600 0.060 0.000 0.883 123 E CA -0.561 55.872 56.400 0.054 0.000 0.761 123 E CB 2.057 31.787 29.700 0.050 0.000 1.156 123 E HN 0.210 nan 8.360 nan 0.000 0.412 124 A N 1.482 124.349 122.820 0.078 0.000 2.571 124 A HA 0.454 4.774 4.320 0.000 0.000 0.296 124 A C -1.573 176.068 177.584 0.094 0.000 1.005 124 A CA -0.628 51.469 52.037 0.100 0.000 0.682 124 A CB 0.974 20.080 19.000 0.178 0.000 1.292 124 A HN 0.228 nan 8.150 nan 0.000 0.420 125 V N 3.358 123.312 119.914 0.066 0.000 2.417 125 V HA 0.389 4.509 4.120 0.000 0.000 0.291 125 V C 0.756 176.802 176.094 -0.079 0.000 1.024 125 V CA -0.426 61.886 62.300 0.019 0.000 0.861 125 V CB 1.333 33.162 31.823 0.011 0.000 0.985 125 V HN 0.842 nan 8.190 nan 0.000 0.436 126 L N 4.313 125.413 121.223 -0.205 0.000 2.262 126 L HA 0.355 4.695 4.340 0.000 0.000 0.197 126 L C 0.164 176.839 176.870 -0.325 0.000 1.073 126 L CA 1.018 55.600 54.840 -0.429 0.000 0.800 126 L CB 0.081 41.787 42.059 -0.589 0.000 0.987 126 L HN 0.394 nan 8.230 nan 0.000 0.470 127 V N 0.346 120.117 119.914 -0.239 0.000 2.709 127 V HA 0.475 4.595 4.120 0.000 0.000 0.308 127 V C -0.645 175.370 176.094 -0.132 0.000 1.062 127 V CA -0.673 61.518 62.300 -0.181 0.000 0.901 127 V CB 2.699 34.414 31.823 -0.180 0.000 1.003 127 V HN 0.256 nan 8.190 nan 0.000 0.425 128 R N 2.780 123.225 120.500 -0.091 0.000 2.538 128 R HA 0.771 5.111 4.340 0.000 0.000 0.292 128 R C -2.035 174.264 176.300 -0.001 0.000 1.008 128 R CA -0.406 55.676 56.100 -0.029 0.000 0.896 128 R CB 2.217 32.517 30.300 -0.002 0.000 1.187 128 R HN 0.541 nan 8.270 nan 0.000 0.440 129 V N 4.309 124.259 119.914 0.059 0.000 2.370 129 V HA 0.379 4.499 4.120 0.000 0.000 0.283 129 V C -0.471 175.834 176.094 0.351 0.000 1.023 129 V CA -0.586 61.809 62.300 0.159 0.000 0.857 129 V CB 1.569 33.473 31.823 0.134 0.000 0.985 129 V HN 0.764 nan 8.190 nan 0.000 0.443 130 D N 2.385 122.959 120.400 0.289 0.000 2.350 130 D HA 0.449 5.089 4.640 0.000 0.000 0.245 130 D C 0.021 176.477 176.300 0.261 0.000 1.036 130 D CA -0.116 54.059 54.000 0.292 0.000 0.848 130 D CB 2.425 43.325 40.800 0.167 0.000 1.307 130 D HN 0.625 nan 8.370 nan 0.000 0.469 131 S N 0.405 116.280 115.700 0.291 0.000 2.634 131 S HA 0.369 4.840 4.470 0.000 0.000 0.261 131 S C 0.577 175.241 174.600 0.107 0.000 1.271 131 S CA -0.749 57.557 58.200 0.177 0.000 0.985 131 S CB 0.806 64.153 63.200 0.245 0.000 0.968 131 S HN 0.431 nan 8.310 nan 0.000 0.568 132 S N 0.997 116.728 115.700 0.052 0.000 2.589 132 S HA 0.297 4.767 4.470 0.000 0.000 0.265 132 S C 0.252 174.880 174.600 0.047 0.000 1.342 132 S CA -0.790 57.434 58.200 0.041 0.000 1.005 132 S CB -0.156 63.052 63.200 0.014 0.000 0.909 132 S HN 0.746 nan 8.310 nan 0.000 0.555 133 S N 0.877 116.598 115.700 0.035 0.000 2.558 133 S HA 0.449 4.919 4.470 0.000 0.000 0.291 133 S C 1.517 176.134 174.600 0.029 0.000 1.306 133 S CA 0.491 58.709 58.200 0.031 0.000 1.056 133 S CB 0.025 63.238 63.200 0.021 0.000 0.836 133 S HN 1.620 nan 8.310 nan 0.000 0.504 134 G N 1.603 110.421 108.800 0.030 0.000 2.254 134 G HA2 -0.196 3.764 3.960 0.000 0.000 0.225 134 G HA3 -0.196 3.764 3.960 0.000 0.000 0.225 134 G C -0.115 174.808 174.900 0.039 0.000 1.003 134 G CA -0.225 44.893 45.100 0.029 0.000 0.622 134 G HN 0.568 nan 8.290 nan 0.000 0.507 135 L N 0.472 121.729 121.223 0.055 0.000 2.334 135 L HA 0.693 5.033 4.340 0.000 0.000 0.272 135 L C 1.565 178.493 176.870 0.097 0.000 1.020 135 L CA -0.194 54.691 54.840 0.075 0.000 0.812 135 L CB 1.851 43.964 42.059 0.090 0.000 1.264 135 L HN 0.126 nan 8.230 nan 0.000 0.439 136 G N -0.581 108.283 108.800 0.106 0.000 3.088 136 G HA2 0.017 3.977 3.960 0.000 0.000 0.217 136 G HA3 0.017 3.977 3.960 0.000 0.000 0.217 136 G C 0.051 175.083 174.900 0.221 0.000 1.159 136 G CA -0.253 44.931 45.100 0.140 0.000 0.760 136 G HN 0.563 nan 8.290 nan 0.000 0.550 137 D N 0.606 121.122 120.400 0.194 0.000 2.458 137 D HA 0.403 5.043 4.640 0.000 0.000 0.243 137 D C -0.124 176.331 176.300 0.259 0.000 1.146 137 D CA 0.564 54.661 54.000 0.162 0.000 0.877 137 D CB 0.499 41.471 40.800 0.287 0.000 1.176 137 D HN 0.519 nan 8.370 nan 0.000 0.461 138 Y N -0.532 119.679 120.300 -0.148 0.000 2.702 138 Y HA 0.551 5.101 4.550 0.000 0.000 0.336 138 Y C -2.273 173.445 175.900 -0.303 0.000 1.203 138 Y CA -1.644 56.383 58.100 -0.122 0.000 1.072 138 Y CB 0.785 39.242 38.460 -0.004 0.000 1.327 138 Y HN 0.213 nan 8.280 nan 0.000 0.456 139 L N 0.486 121.630 121.223 -0.132 0.000 2.470 139 L HA 0.757 5.097 4.340 0.000 0.000 0.268 139 L C -1.504 175.369 176.870 0.004 0.000 0.964 139 L CA -0.968 53.748 54.840 -0.206 0.000 0.839 139 L CB 2.356 44.242 42.059 -0.288 0.000 1.276 139 L HN 0.875 nan 8.230 nan 0.000 0.403 140 E N 3.139 123.334 120.200 -0.010 0.000 2.224 140 E HA 0.504 4.854 4.350 0.000 0.000 0.265 140 E C -1.784 174.634 176.600 -0.304 0.000 0.878 140 E CA -0.939 55.438 56.400 -0.037 0.000 0.759 140 E CB 2.097 31.896 29.700 0.165 0.000 1.164 140 E HN 0.839 nan 8.360 nan 0.000 0.414 141 L N 6.775 127.812 121.223 -0.310 0.000 2.264 141 L HA 0.393 4.733 4.340 0.000 0.000 0.289 141 L C -0.807 175.867 176.870 -0.327 0.000 1.044 141 L CA 0.114 54.710 54.840 -0.406 0.000 0.807 141 L CB 0.477 42.351 42.059 -0.308 0.000 1.192 141 L HN 0.602 nan 8.230 nan 0.000 0.425 142 H N 3.467 122.449 119.070 -0.148 0.000 2.990 142 H HA 0.563 5.120 4.556 0.000 0.000 0.343 142 H C -1.351 173.921 175.328 -0.094 0.000 1.270 142 H CA -1.266 54.711 56.048 -0.118 0.000 1.118 142 H CB 1.396 31.117 29.762 -0.068 0.000 1.861 142 H HN 0.472 nan 8.280 nan 0.000 0.544 143 I N 1.671 122.349 120.570 0.180 0.000 2.406 143 I HA 0.162 4.332 4.170 0.000 0.000 0.290 143 I C -1.028 175.185 176.117 0.159 0.000 0.999 143 I CA -0.403 60.972 61.300 0.125 0.000 1.124 143 I CB 1.534 39.567 38.000 0.055 0.000 1.289 143 I HN 0.557 nan 8.210 nan 0.000 0.441 144 H N 6.076 125.168 119.070 0.036 0.000 2.658 144 H HA 0.295 4.851 4.556 0.000 0.000 0.337 144 H C -0.761 174.573 175.328 0.011 0.000 1.009 144 H CA -0.490 55.547 56.048 -0.019 0.000 1.231 144 H CB 1.000 30.716 29.762 -0.077 0.000 1.508 144 H HN 0.552 nan 8.280 nan 0.000 0.517 145 Q N 3.814 123.409 119.800 -0.343 0.000 2.451 145 Q HA -0.236 4.104 4.340 0.000 0.000 0.305 145 Q C 0.966 176.914 176.000 -0.087 0.000 1.345 145 Q CA 0.959 56.604 55.803 -0.263 0.000 0.854 145 Q CB -1.653 26.859 28.738 -0.377 0.000 1.162 145 Q HN 1.278 nan 8.270 nan 0.000 0.440 146 G N -0.468 108.322 108.800 -0.016 0.000 2.189 146 G HA2 -0.364 3.596 3.960 0.000 0.000 0.267 146 G HA3 -0.364 3.596 3.960 0.000 0.000 0.267 146 G C 0.019 174.963 174.900 0.072 0.000 0.975 146 G CA 0.904 46.029 45.100 0.043 0.000 0.644 146 G HN 0.353 nan 8.290 nan 0.000 0.537 147 K N -0.021 120.417 120.400 0.064 0.000 2.185 147 K HA 0.662 4.982 4.320 0.000 0.000 0.269 147 K C -0.210 176.452 176.600 0.104 0.000 0.987 147 K CA -1.002 55.343 56.287 0.096 0.000 0.865 147 K CB 2.357 34.913 32.500 0.093 0.000 1.090 147 K HN 0.182 nan 8.250 nan 0.000 0.450 148 I N 1.574 122.192 120.570 0.079 0.000 2.519 148 I HA 0.405 4.575 4.170 0.000 0.000 0.287 148 I C 0.090 176.232 176.117 0.041 0.000 1.047 148 I CA 0.738 62.044 61.300 0.010 0.000 1.381 148 I CB 0.885 38.843 38.000 -0.069 0.000 1.417 148 I HN 0.748 nan 8.210 nan 0.000 0.540 149 G N 5.312 114.107 108.800 -0.007 0.000 2.608 149 G HA2 0.605 4.565 3.960 0.000 0.000 0.291 149 G HA3 0.605 4.565 3.960 0.000 0.000 0.291 149 G C -2.103 172.599 174.900 -0.331 0.000 1.425 149 G CA -0.572 44.504 45.100 -0.041 0.000 0.787 149 G HN 0.515 nan 8.290 nan 0.000 0.484 150 V N 0.347 120.106 119.914 -0.258 0.000 2.656 150 V HA 0.683 4.803 4.120 0.000 0.000 0.307 150 V C -0.292 175.678 176.094 -0.207 0.000 1.051 150 V CA -0.832 61.210 62.300 -0.430 0.000 0.893 150 V CB 1.891 33.350 31.823 -0.606 0.000 0.999 150 V HN 0.837 nan 8.190 nan 0.000 0.426 151 K N 4.795 125.080 120.400 -0.193 0.000 2.345 151 K HA 0.754 5.075 4.320 0.000 0.000 0.255 151 K C -1.484 175.072 176.600 -0.074 0.000 0.934 151 K CA -0.472 55.806 56.287 -0.013 0.000 0.801 151 K CB 1.749 34.362 32.500 0.189 0.000 1.137 151 K HN 0.603 nan 8.250 nan 0.000 0.424 152 F N 0.758 120.481 119.950 -0.377 0.000 2.643 152 F HA 0.609 5.136 4.527 0.000 0.000 0.314 152 F C -1.395 173.999 175.800 -0.677 0.000 1.096 152 F CA -1.016 56.568 58.000 -0.694 0.000 0.953 152 F CB 1.673 40.377 39.000 -0.493 0.000 1.345 152 F HN 0.383 nan 8.300 nan 0.000 0.468 153 N N 0.953 119.246 118.700 -0.678 0.000 2.425 153 N HA 0.400 5.140 4.740 0.000 0.000 0.289 153 N C -1.114 174.253 175.510 -0.238 0.000 1.074 153 N CA -0.443 52.345 53.050 -0.436 0.000 0.905 153 N CB 2.464 40.734 38.487 -0.361 0.000 1.586 153 N HN 0.952 nan 8.380 nan 0.000 0.490 154 V N 1.010 120.877 119.914 -0.079 0.000 2.988 154 V HA 0.665 4.785 4.120 0.000 0.000 0.356 154 V C 1.010 177.120 176.094 0.026 0.000 1.380 154 V CA 0.515 62.812 62.300 -0.004 0.000 1.184 154 V CB 0.071 31.937 31.823 0.071 0.000 1.204 154 V HN 0.856 nan 8.190 nan 0.000 0.530 155 G N 0.256 109.060 108.800 0.006 0.000 2.699 155 G HA2 -0.216 3.744 3.960 0.000 0.000 0.198 155 G HA3 -0.216 3.744 3.960 0.000 0.000 0.198 155 G C 0.501 175.403 174.900 0.005 0.000 1.033 155 G CA 0.438 45.550 45.100 0.020 0.000 0.728 155 G HN 0.518 nan 8.290 nan 0.000 0.484 156 T N 1.211 115.758 114.554 -0.012 0.000 2.923 156 T HA 0.400 4.750 4.350 0.000 0.000 0.180 156 T C 0.172 174.846 174.700 -0.042 0.000 0.706 156 T CA 0.569 62.657 62.100 -0.020 0.000 2.161 156 T CB 0.044 68.902 68.868 -0.017 0.000 2.518 156 T HN 0.262 nan 8.240 nan 0.000 0.399 157 D N 1.697 122.054 120.400 -0.071 0.000 2.332 157 D HA 0.310 4.951 4.640 0.000 0.000 0.252 157 D C -0.995 175.200 176.300 -0.176 0.000 1.050 157 D CA -0.359 53.583 54.000 -0.097 0.000 0.970 157 D CB 0.861 41.607 40.800 -0.090 0.000 1.141 157 D HN 0.197 nan 8.370 nan 0.000 0.485 158 D N 0.948 121.256 120.400 -0.154 0.000 2.338 158 D HA 0.229 4.869 4.640 0.000 0.000 0.255 158 D C -0.117 175.999 176.300 -0.306 0.000 1.237 158 D CA 0.078 53.955 54.000 -0.207 0.000 0.883 158 D CB 0.366 41.125 40.800 -0.069 0.000 1.087 158 D HN 0.165 nan 8.370 nan 0.000 0.485 159 I N 2.054 122.267 120.570 -0.595 0.000 2.336 159 I HA 0.454 4.624 4.170 0.000 0.000 0.292 159 I C 0.295 176.133 176.117 -0.465 0.000 0.991 159 I CA -0.724 60.193 61.300 -0.638 0.000 1.227 159 I CB 1.532 38.879 38.000 -1.088 0.000 1.366 159 I HN 0.262 nan 8.210 nan 0.000 0.466 160 A N 7.790 130.498 122.820 -0.186 0.000 2.350 160 A HA 0.862 5.182 4.320 0.000 0.000 0.324 160 A C -0.903 176.704 177.584 0.038 0.000 1.118 160 A CA -0.557 51.458 52.037 -0.038 0.000 0.783 160 A CB 1.517 20.518 19.000 0.002 0.000 1.236 160 A HN 0.748 nan 8.150 nan 0.000 0.457 161 I N 1.358 121.987 120.570 0.098 0.000 2.610 161 I HA 0.539 4.709 4.170 0.000 0.000 0.289 161 I C -0.975 175.210 176.117 0.112 0.000 1.163 161 I CA -0.157 61.216 61.300 0.123 0.000 1.044 161 I CB 1.659 39.775 38.000 0.194 0.000 1.251 161 I HN 0.952 nan 8.210 nan 0.000 0.424 162 E N 5.459 125.722 120.200 0.105 0.000 2.383 162 E HA 0.305 4.656 4.350 0.000 0.000 0.275 162 E C -1.619 175.049 176.600 0.112 0.000 0.918 162 E CA -0.739 55.725 56.400 0.107 0.000 0.764 162 E CB 1.974 31.746 29.700 0.121 0.000 1.252 162 E HN 0.524 nan 8.360 nan 0.000 0.449 163 E N 1.702 121.977 120.200 0.125 0.000 1.924 163 E HA 0.209 4.559 4.350 0.000 0.000 0.261 163 E C -0.687 175.999 176.600 0.144 0.000 1.088 163 E CA -0.061 56.434 56.400 0.158 0.000 0.909 163 E CB 0.399 30.230 29.700 0.218 0.000 1.112 163 E HN 0.456 nan 8.360 nan 0.000 0.425 164 S N 3.599 119.364 115.700 0.110 0.000 2.603 164 S HA 0.015 4.485 4.470 0.000 0.000 0.220 164 S C 1.150 175.788 174.600 0.063 0.000 0.967 164 S CA -0.043 58.208 58.200 0.084 0.000 0.920 164 S CB -0.031 63.210 63.200 0.069 0.000 0.773 164 S HN 0.509 nan 8.310 nan 0.000 0.529 165 N N 1.681 120.420 118.700 0.066 0.000 2.333 165 N HA 0.151 4.891 4.740 0.000 0.000 0.178 165 N C 0.338 175.825 175.510 -0.038 0.000 1.018 165 N CA 0.479 53.533 53.050 0.006 0.000 0.882 165 N CB 0.119 38.596 38.487 -0.018 0.000 0.984 165 N HN 0.373 nan 8.380 nan 0.000 0.434 166 A N 0.523 123.354 122.820 0.018 0.000 2.449 166 A HA 0.574 4.894 4.320 0.000 0.000 0.302 166 A C -0.418 177.258 177.584 0.152 0.000 1.048 166 A CA -0.782 51.245 52.037 -0.017 0.000 0.708 166 A CB 0.973 19.739 19.000 -0.390 0.000 1.274 166 A HN 0.123 nan 8.150 nan 0.000 0.410 167 I N 0.110 120.744 120.570 0.108 0.000 2.638 167 I HA 0.510 4.680 4.170 0.000 0.000 0.286 167 I C 0.251 176.475 176.117 0.179 0.000 1.088 167 I CA -0.027 61.351 61.300 0.130 0.000 1.397 167 I CB 0.365 38.419 38.000 0.090 0.000 1.414 167 I HN 0.458 nan 8.210 nan 0.000 0.566 168 I N 0.649 121.308 120.570 0.149 0.000 3.966 168 I HA 0.371 4.541 4.170 0.000 0.000 0.324 168 I C 0.710 176.984 176.117 0.262 0.000 1.517 168 I CA 0.194 61.512 61.300 0.030 0.000 1.117 168 I CB -1.204 36.763 38.000 -0.055 0.000 1.190 168 I HN 0.771 nan 8.210 nan 0.000 0.466 169 N N 1.938 120.773 118.700 0.224 0.000 2.421 169 N HA -0.080 4.660 4.740 0.000 0.000 0.201 169 N C 0.425 176.051 175.510 0.193 0.000 1.198 169 N CA 0.456 53.629 53.050 0.205 0.000 0.838 169 N CB 0.244 38.809 38.487 0.130 0.000 1.011 169 N HN 0.483 nan 8.380 nan 0.000 0.463 170 D N -0.958 119.588 120.400 0.243 0.000 2.358 170 D HA 0.111 4.751 4.640 0.000 0.000 0.224 170 D C 1.216 177.608 176.300 0.153 0.000 1.123 170 D CA 0.081 54.196 54.000 0.191 0.000 0.833 170 D CB -0.292 40.636 40.800 0.213 0.000 0.946 170 D HN 0.174 nan 8.370 nan 0.000 0.505 171 G N 0.240 109.136 108.800 0.159 0.000 2.189 171 G HA2 -0.347 3.613 3.960 0.000 0.000 0.267 171 G HA3 -0.347 3.613 3.960 0.000 0.000 0.267 171 G C 0.261 175.210 174.900 0.082 0.000 0.975 171 G CA 0.586 45.758 45.100 0.120 0.000 0.644 171 G HN 0.505 nan 8.290 nan 0.000 0.537 172 K N -0.709 119.707 120.400 0.027 0.000 2.095 172 K HA 0.515 4.835 4.320 0.000 0.000 0.252 172 K C -0.167 176.193 176.600 -0.400 0.000 0.977 172 K CA -1.071 55.132 56.287 -0.139 0.000 0.900 172 K CB 1.317 33.706 32.500 -0.185 0.000 1.060 172 K HN 0.127 nan 8.250 nan 0.000 0.449 173 Y N 2.869 122.869 120.300 -0.501 0.000 2.526 173 Y HA -0.019 4.531 4.550 0.000 0.000 0.330 173 Y C -0.340 175.031 175.900 -0.883 0.000 1.156 173 Y CA 0.739 58.457 58.100 -0.637 0.000 1.419 173 Y CB 0.306 38.425 38.460 -0.568 0.000 1.250 173 Y HN 0.455 nan 8.280 nan 0.000 0.540 174 H N 3.740 122.005 119.070 -1.343 0.000 2.928 174 H HA 0.573 5.129 4.556 0.000 0.000 0.371 174 H C -1.264 173.303 175.328 -1.269 0.000 1.186 174 H CA -0.822 54.536 56.048 -1.151 0.000 1.134 174 H CB 1.776 30.903 29.762 -1.059 0.000 1.824 174 H HN 0.447 nan 8.280 nan 0.000 0.554 175 V N 1.785 121.359 119.914 -0.567 0.000 2.604 175 V HA 0.329 4.449 4.120 0.000 0.000 0.305 175 V C -0.353 175.672 176.094 -0.115 0.000 1.043 175 V CA -0.778 61.332 62.300 -0.316 0.000 0.888 175 V CB 2.407 34.112 31.823 -0.196 0.000 0.995 175 V HN 0.444 nan 8.190 nan 0.000 0.429 176 V N 6.288 126.224 119.914 0.036 0.000 2.588 176 V HA 0.657 4.777 4.120 0.000 0.000 0.304 176 V C -0.588 175.540 176.094 0.056 0.000 1.042 176 V CA -0.524 61.809 62.300 0.056 0.000 0.877 176 V CB 1.899 33.791 31.823 0.116 0.000 0.996 176 V HN 0.933 nan 8.190 nan 0.000 0.425 177 R N 5.724 126.251 120.500 0.045 0.000 2.480 177 R HA 0.540 4.881 4.340 0.000 0.000 0.306 177 R C -1.606 174.765 176.300 0.118 0.000 0.958 177 R CA -0.416 55.723 56.100 0.066 0.000 0.861 177 R CB 2.387 32.691 30.300 0.006 0.000 1.171 177 R HN 0.674 nan 8.270 nan 0.000 0.445 178 F N 1.185 121.129 119.950 -0.009 0.000 2.520 178 F HA 0.505 5.032 4.527 0.000 0.000 0.322 178 F C -0.894 174.887 175.800 -0.032 0.000 1.103 178 F CA -0.270 57.715 58.000 -0.026 0.000 0.926 178 F CB 2.362 41.344 39.000 -0.030 0.000 1.154 178 F HN 0.278 nan 8.300 nan 0.000 0.453 179 T N 6.183 120.110 114.554 -1.045 0.000 2.893 179 T HA 0.501 4.851 4.350 0.000 0.000 0.293 179 T C -1.475 172.507 174.700 -1.196 0.000 1.027 179 T CA -0.722 60.886 62.100 -0.821 0.000 0.988 179 T CB 1.631 70.253 68.868 -0.411 0.000 1.043 179 T HN 0.737 nan 8.240 nan 0.000 0.461 180 R N 1.530 121.594 120.500 -0.727 0.000 2.574 180 R HA 0.648 4.988 4.340 0.000 0.000 0.288 180 R C -1.506 174.629 176.300 -0.276 0.000 1.004 180 R CA -0.498 55.268 56.100 -0.556 0.000 0.895 180 R CB 1.570 31.562 30.300 -0.514 0.000 1.191 180 R HN 0.598 nan 8.270 nan 0.000 0.444 181 S N 2.954 118.534 115.700 -0.201 0.000 2.774 181 S HA 0.541 5.011 4.470 0.000 0.000 0.297 181 S C 0.362 174.938 174.600 -0.040 0.000 1.143 181 S CA 0.535 58.677 58.200 -0.096 0.000 1.090 181 S CB 0.984 64.139 63.200 -0.075 0.000 1.019 181 S HN 1.070 nan 8.310 nan 0.000 0.482 182 G N 4.527 113.323 108.800 -0.008 0.000 2.602 182 G HA2 -0.282 3.678 3.960 0.000 0.000 0.310 182 G HA3 -0.282 3.678 3.960 0.000 0.000 0.310 182 G C 0.869 175.831 174.900 0.104 0.000 1.183 182 G CA 0.357 45.483 45.100 0.044 0.000 0.979 182 G HN 1.585 nan 8.290 nan 0.000 0.545 183 G N 0.489 109.371 108.800 0.136 0.000 3.126 183 G HA2 0.364 4.324 3.960 0.000 0.000 0.224 183 G HA3 0.364 4.324 3.960 0.000 0.000 0.224 183 G C 0.474 175.522 174.900 0.247 0.000 1.142 183 G CA 0.669 45.910 45.100 0.235 0.000 0.759 183 G HN 0.615 nan 8.290 nan 0.000 0.550 184 N N 0.804 119.569 118.700 0.107 0.000 2.508 184 N HA 0.662 5.402 4.740 0.000 0.000 0.285 184 N C -0.355 175.095 175.510 -0.100 0.000 1.144 184 N CA 0.019 53.047 53.050 -0.037 0.000 0.978 184 N CB 2.025 40.429 38.487 -0.138 0.000 1.180 184 N HN 0.174 nan 8.380 nan 0.000 0.484 185 A N 0.120 122.828 122.820 -0.186 0.000 2.566 185 A HA 0.771 5.091 4.320 0.000 0.000 0.292 185 A C -0.803 176.608 177.584 -0.288 0.000 1.112 185 A CA -0.511 51.379 52.037 -0.245 0.000 0.707 185 A CB 1.653 20.704 19.000 0.085 0.000 1.302 185 A HN 0.444 nan 8.150 nan 0.000 0.409 186 T N 0.497 114.833 114.554 -0.364 0.000 2.916 186 T HA 0.610 4.960 4.350 0.000 0.000 0.298 186 T C -1.737 172.879 174.700 -0.140 0.000 1.031 186 T CA -0.174 61.791 62.100 -0.224 0.000 0.993 186 T CB 1.122 69.856 68.868 -0.224 0.000 1.045 186 T HN 0.852 nan 8.240 nan 0.000 0.454 187 L N 3.443 124.667 121.223 0.001 0.000 2.431 187 L HA 0.702 5.042 4.340 0.000 0.000 0.266 187 L C -1.198 175.707 176.870 0.058 0.000 0.978 187 L CA -0.223 54.668 54.840 0.085 0.000 0.822 187 L CB 2.122 44.275 42.059 0.156 0.000 1.310 187 L HN 0.693 nan 8.230 nan 0.000 0.409 188 Q N 3.661 123.486 119.800 0.042 0.000 2.268 188 Q HA 0.624 4.964 4.340 0.000 0.000 0.266 188 Q C -2.113 173.857 176.000 -0.050 0.000 1.006 188 Q CA -0.676 55.137 55.803 0.018 0.000 0.824 188 Q CB 2.300 31.041 28.738 0.005 0.000 1.306 188 Q HN 0.527 nan 8.270 nan 0.000 0.424 189 V N 4.808 124.643 119.914 -0.131 0.000 2.439 189 V HA 0.238 4.358 4.120 0.000 0.000 0.282 189 V C 0.351 176.063 176.094 -0.636 0.000 1.039 189 V CA 0.011 62.077 62.300 -0.389 0.000 0.913 189 V CB 1.327 32.775 31.823 -0.625 0.000 0.983 189 V HN 1.061 nan 8.190 nan 0.000 0.460 190 D N 3.351 123.437 120.400 -0.524 0.000 3.750 190 D HA -0.266 4.375 4.640 0.000 0.000 0.149 190 D C 1.163 177.309 176.300 -0.256 0.000 0.867 190 D CA 1.986 55.727 54.000 -0.432 0.000 1.010 190 D CB -0.688 39.736 40.800 -0.626 0.000 0.462 190 D HN 0.634 nan 8.370 nan 0.000 0.436 191 S N -0.445 115.150 115.700 -0.175 0.000 2.650 191 S HA 0.117 4.588 4.470 0.000 0.000 0.240 191 S C -0.187 174.553 174.600 0.234 0.000 1.007 191 S CA -0.636 57.592 58.200 0.047 0.000 0.984 191 S CB 0.225 63.480 63.200 0.092 0.000 0.910 191 S HN 0.220 nan 8.310 nan 0.000 0.509 192 W N 3.774 125.088 121.300 0.024 0.000 2.089 192 W HA 0.259 4.920 4.660 0.000 0.000 0.355 192 W C -2.364 174.167 176.519 0.020 0.000 1.305 192 W CA -2.775 54.582 57.345 0.021 0.000 1.281 192 W CB -1.040 28.432 29.460 0.019 0.000 1.183 192 W HN 0.009 nan 8.180 nan 0.000 0.604 193 P HA -0.009 nan 4.420 nan 0.000 0.265 193 P C -0.146 177.238 177.300 0.139 0.000 1.193 193 P CA 0.125 63.314 63.100 0.149 0.000 0.765 193 P CB 0.516 32.279 31.700 0.106 0.000 0.823 194 V N 5.132 125.102 119.914 0.094 0.000 2.763 194 V HA -0.006 4.114 4.120 0.000 0.000 0.306 194 V C 1.055 177.193 176.094 0.073 0.000 1.059 194 V CA 0.329 62.671 62.300 0.070 0.000 1.138 194 V CB -0.118 31.730 31.823 0.041 0.000 0.940 194 V HN 0.357 nan 8.190 nan 0.000 0.489 195 I N 4.828 125.438 120.570 0.068 0.000 2.336 195 I HA 0.413 4.583 4.170 0.000 0.000 0.292 195 I C 0.077 176.212 176.117 0.030 0.000 0.991 195 I CA -0.315 61.025 61.300 0.067 0.000 1.227 195 I CB 1.105 39.155 38.000 0.084 0.000 1.366 195 I HN 0.658 nan 8.210 nan 0.000 0.466 196 E N 6.630 126.852 120.200 0.037 0.000 2.176 196 E HA 0.509 4.859 4.350 0.000 0.000 0.267 196 E C -0.753 175.805 176.600 -0.070 0.000 0.893 196 E CA -0.926 55.449 56.400 -0.041 0.000 0.761 196 E CB 2.710 32.467 29.700 0.095 0.000 1.133 196 E HN 0.464 nan 8.360 nan 0.000 0.409 197 R N 2.833 123.179 120.500 -0.255 0.000 2.480 197 R HA 0.365 4.705 4.340 0.000 0.000 0.306 197 R C -1.727 174.341 176.300 -0.388 0.000 0.958 197 R CA -0.506 55.502 56.100 -0.155 0.000 0.861 197 R CB 0.798 31.087 30.300 -0.020 0.000 1.171 197 R HN 0.467 nan 8.270 nan 0.000 0.445 198 Y N 4.035 124.361 120.300 0.043 0.000 2.338 198 Y HA 0.407 4.957 4.550 0.000 0.000 0.328 198 Y C -2.023 173.893 175.900 0.027 0.000 0.965 198 Y CA -2.657 55.466 58.100 0.037 0.000 1.208 198 Y CB 1.585 40.060 38.460 0.024 0.000 1.132 198 Y HN 0.594 nan 8.280 nan 0.000 0.469 199 P HA 0.250 nan 4.420 nan 0.000 0.272 199 P C -0.196 177.148 177.300 0.074 0.000 1.223 199 P CA -0.218 62.921 63.100 0.066 0.000 0.784 199 P CB 0.860 32.571 31.700 0.018 0.000 0.923 232 R N 1.285 121.796 120.500 0.019 0.000 2.449 232 R HA 0.331 4.671 4.340 0.000 0.000 0.296 232 R C -0.183 176.129 176.300 0.020 0.000 1.047 232 R CA 0.081 56.196 56.100 0.026 0.000 1.018 232 R CB 0.504 30.819 30.300 0.024 0.000 0.962 232 R HN 0.509 nan 8.270 nan 0.000 0.428 233 Q N 2.508 122.324 119.800 0.027 0.000 2.195 233 Q HA 0.402 4.742 4.340 0.000 0.000 0.250 233 Q C -0.387 175.635 176.000 0.037 0.000 0.988 233 Q CA -0.564 55.253 55.803 0.024 0.000 0.911 233 Q CB 1.437 30.188 28.738 0.023 0.000 1.258 233 Q HN 0.563 nan 8.270 nan 0.000 0.475 234 L N -0.071 121.174 121.223 0.036 0.000 2.466 234 L HA 0.255 4.595 4.340 0.000 0.000 0.257 234 L C 1.022 177.928 176.870 0.060 0.000 1.189 234 L CA 0.281 55.146 54.840 0.042 0.000 0.813 234 L CB 0.684 42.767 42.059 0.039 0.000 1.118 234 L HN 0.907 nan 8.230 nan 0.000 0.471 235 T N -2.315 112.274 114.554 0.058 0.000 3.084 235 T HA 0.404 4.754 4.350 0.000 0.000 0.270 235 T C 0.160 174.903 174.700 0.072 0.000 1.008 235 T CA -0.224 61.915 62.100 0.065 0.000 0.900 235 T CB -0.188 68.709 68.868 0.048 0.000 1.084 235 T HN 0.227 nan 8.240 nan 0.000 0.538 236 I N 2.053 122.674 120.570 0.084 0.000 2.433 236 I HA 0.448 4.618 4.170 0.000 0.000 0.292 236 I C -0.827 175.405 176.117 0.192 0.000 1.001 236 I CA -1.321 60.043 61.300 0.107 0.000 1.119 236 I CB 1.727 39.769 38.000 0.069 0.000 1.289 236 I HN 0.066 nan 8.210 nan 0.000 0.438 237 F N 6.600 126.554 119.950 0.007 0.000 2.404 237 F HA 0.356 4.883 4.527 0.000 0.000 0.359 237 F C -0.033 175.760 175.800 -0.011 0.000 1.134 237 F CA -1.151 56.858 58.000 0.015 0.000 1.160 237 F CB -0.297 38.718 39.000 0.025 0.000 1.186 237 F HN 0.440 nan 8.300 nan 0.000 0.526 238 N N 2.585 121.477 118.700 0.320 0.000 2.524 238 N HA 0.156 4.896 4.740 0.000 0.000 0.283 238 N C 0.117 175.596 175.510 -0.053 0.000 1.142 238 N CA -0.157 52.934 53.050 0.068 0.000 0.984 238 N CB 1.039 39.570 38.487 0.074 0.000 1.155 238 N HN 0.551 nan 8.380 nan 0.000 0.467 239 S N 0.457 116.070 115.700 -0.144 0.000 3.336 239 S HA -0.252 4.218 4.470 0.000 0.000 0.362 239 S C -0.508 173.935 174.600 -0.262 0.000 0.941 239 S CA 0.173 58.261 58.200 -0.187 0.000 1.297 239 S CB -1.242 61.910 63.200 -0.080 0.000 0.915 239 S HN 0.506 nan 8.310 nan 0.000 0.527 240 Q N 1.152 120.637 119.800 -0.524 0.000 2.244 240 Q HA 0.374 4.714 4.340 0.000 0.000 0.278 240 Q C 1.194 176.970 176.000 -0.373 0.000 1.093 240 Q CA 0.531 55.976 55.803 -0.596 0.000 0.916 240 Q CB 0.731 28.859 28.738 -1.015 0.000 1.159 240 Q HN 0.647 nan 8.270 nan 0.000 0.384 241 A N 2.936 125.780 122.820 0.039 0.000 1.963 241 A HA 0.110 4.430 4.320 0.000 0.000 0.207 241 A C 0.752 178.590 177.584 0.422 0.000 1.243 241 A CA 0.970 53.142 52.037 0.225 0.000 0.728 241 A CB 0.551 19.615 19.000 0.108 0.000 0.895 241 A HN 0.692 nan 8.150 nan 0.000 0.467 242 T N -2.326 112.433 114.554 0.342 0.000 2.903 242 T HA 0.714 5.064 4.350 0.000 0.000 0.299 242 T C -0.905 173.909 174.700 0.191 0.000 1.093 242 T CA -0.503 61.719 62.100 0.204 0.000 1.002 242 T CB 1.516 70.435 68.868 0.084 0.000 1.127 242 T HN 0.144 nan 8.240 nan 0.000 0.488 243 I N 2.362 122.962 120.570 0.051 0.000 2.411 243 I HA 0.422 4.592 4.170 0.000 0.000 0.284 243 I C -0.806 175.294 176.117 -0.029 0.000 1.012 243 I CA -0.903 60.381 61.300 -0.027 0.000 1.119 243 I CB 1.386 39.309 38.000 -0.128 0.000 1.261 243 I HN 0.557 nan 8.210 nan 0.000 0.448 244 I N 7.310 127.863 120.570 -0.029 0.000 2.362 244 I HA 0.421 4.591 4.170 0.000 0.000 0.289 244 I C -0.394 175.691 176.117 -0.053 0.000 0.994 244 I CA -0.461 60.824 61.300 -0.026 0.000 1.158 244 I CB 1.656 39.651 38.000 -0.009 0.000 1.315 244 I HN 0.388 nan 8.210 nan 0.000 0.451 245 I N 5.530 126.075 120.570 -0.043 0.000 2.354 245 I HA 0.582 4.752 4.170 0.000 0.000 0.292 245 I C 0.913 176.998 176.117 -0.053 0.000 0.989 245 I CA 0.073 61.323 61.300 -0.084 0.000 1.188 245 I CB 1.587 39.560 38.000 -0.045 0.000 1.342 245 I HN 0.870 nan 8.210 nan 0.000 0.457 246 G N 3.388 112.043 108.800 -0.243 0.000 2.421 246 G HA2 -0.094 3.866 3.960 0.000 0.000 0.188 246 G HA3 -0.094 3.866 3.960 0.000 0.000 0.188 246 G C 1.039 175.903 174.900 -0.060 0.000 1.001 246 G CA -0.155 44.804 45.100 -0.234 0.000 0.693 246 G HN 1.310 nan 8.290 nan 0.000 0.479 247 G N 0.541 109.312 108.800 -0.048 0.000 2.205 247 G HA2 -0.420 3.540 3.960 0.000 0.000 0.269 247 G HA3 -0.420 3.540 3.960 0.000 0.000 0.269 247 G C 1.197 176.111 174.900 0.022 0.000 0.977 247 G CA 1.857 46.951 45.100 -0.010 0.000 0.652 247 G HN 1.065 nan 8.290 nan 0.000 0.539 248 K N 0.308 120.738 120.400 0.049 0.000 2.044 248 K HA -0.148 4.172 4.320 0.000 0.000 0.210 248 K C 2.188 178.804 176.600 0.027 0.000 1.049 248 K CA 1.936 58.254 56.287 0.053 0.000 0.927 248 K CB -0.237 32.309 32.500 0.077 0.000 0.713 248 K HN 0.537 nan 8.250 nan 0.000 0.443 249 E N -0.012 120.199 120.200 0.019 0.000 2.153 249 E HA -0.216 4.134 4.350 0.000 0.000 0.194 249 E C 1.565 178.159 176.600 -0.009 0.000 0.988 249 E CA 1.224 57.627 56.400 0.005 0.000 0.811 249 E CB 0.197 29.898 29.700 0.002 0.000 0.746 249 E HN 0.280 nan 8.360 nan 0.000 0.466 250 Q N -1.180 118.612 119.800 -0.013 0.000 2.444 250 Q HA 0.143 4.484 4.340 0.000 0.000 0.206 250 Q C 0.995 176.981 176.000 -0.023 0.000 0.948 250 Q CA 0.749 56.535 55.803 -0.029 0.000 0.946 250 Q CB 0.814 29.532 28.738 -0.033 0.000 1.027 250 Q HN 0.408 nan 8.270 nan 0.000 0.513 251 G N 0.173 108.968 108.800 -0.008 0.000 2.159 251 G HA2 -0.306 3.654 3.960 0.000 0.000 0.256 251 G HA3 -0.306 3.654 3.960 0.000 0.000 0.256 251 G C -0.003 174.899 174.900 0.003 0.000 0.977 251 G CA 0.046 45.144 45.100 -0.004 0.000 0.652 251 G HN 0.384 nan 8.290 nan 0.000 0.531 252 Q N 0.178 119.984 119.800 0.009 0.000 3.300 252 Q HA 0.289 4.629 4.340 0.000 0.000 0.271 252 Q C -2.799 173.226 176.000 0.042 0.000 0.926 252 Q CA -1.885 53.930 55.803 0.020 0.000 0.788 252 Q CB 2.010 30.757 28.738 0.014 0.000 1.385 252 Q HN 0.247 nan 8.270 nan 0.000 0.424 253 P HA -0.134 nan 4.420 nan 0.000 0.261 253 P C -0.786 176.567 177.300 0.089 0.000 1.173 253 P CA 0.240 63.386 63.100 0.076 0.000 0.760 253 P CB 0.222 31.963 31.700 0.069 0.000 0.783 254 F N 3.728 123.636 119.950 -0.069 0.000 2.384 254 F HA 0.284 4.811 4.527 0.000 0.000 0.338 254 F C 0.227 176.033 175.800 0.010 0.000 1.103 254 F CA 0.133 58.068 58.000 -0.108 0.000 1.157 254 F CB 0.907 39.712 39.000 -0.324 0.000 1.167 254 F HN 0.262 nan 8.300 nan 0.000 0.529 255 Q N 4.294 123.579 119.800 -0.858 0.000 2.292 255 Q HA 0.601 4.941 4.340 0.000 0.000 0.270 255 Q C -0.288 175.228 176.000 -0.807 0.000 1.024 255 Q CA -0.526 54.979 55.803 -0.496 0.000 0.768 255 Q CB 1.943 30.539 28.738 -0.236 0.000 1.250 255 Q HN 1.094 nan 8.270 nan 0.000 0.447 256 G N 1.915 110.514 108.800 -0.334 0.000 2.291 256 G HA2 -0.060 3.900 3.960 0.000 0.000 0.249 256 G HA3 -0.060 3.900 3.960 0.000 0.000 0.249 256 G C -1.633 173.505 174.900 0.397 0.000 1.340 256 G CA -0.874 44.190 45.100 -0.060 0.000 1.017 256 G HN 0.425 nan 8.290 nan 0.000 0.470 257 Q N -0.376 119.741 119.800 0.529 0.000 2.337 257 Q HA 0.747 5.087 4.340 0.000 0.000 0.266 257 Q C -0.761 175.582 176.000 0.573 0.000 1.023 257 Q CA -0.573 55.503 55.803 0.455 0.000 0.829 257 Q CB 2.511 31.230 28.738 -0.032 0.000 1.306 257 Q HN 0.468 nan 8.270 nan 0.000 0.449 258 L N 1.564 123.069 121.223 0.471 0.000 2.365 258 L HA 0.716 5.056 4.340 0.000 0.000 0.273 258 L C -0.549 176.540 176.870 0.365 0.000 1.000 258 L CA -0.582 54.475 54.840 0.361 0.000 0.819 258 L CB 2.016 44.194 42.059 0.199 0.000 1.284 258 L HN 0.761 nan 8.230 nan 0.000 0.418 259 S N -0.274 115.662 115.700 0.392 0.000 2.570 259 S HA 0.669 5.139 4.470 0.000 0.000 0.270 259 S C 0.192 174.970 174.600 0.296 0.000 1.149 259 S CA -0.148 58.269 58.200 0.361 0.000 0.837 259 S CB 1.761 65.232 63.200 0.452 0.000 1.124 259 S HN 1.137 nan 8.310 nan 0.000 0.465 260 G N 0.310 109.252 108.800 0.236 0.000 2.305 260 G HA2 -0.200 3.760 3.960 0.000 0.000 0.287 260 G HA3 -0.200 3.760 3.960 0.000 0.000 0.287 260 G C -0.151 174.865 174.900 0.193 0.000 1.036 260 G CA 0.337 45.555 45.100 0.197 0.000 0.887 260 G HN 1.499 nan 8.290 nan 0.000 0.505 261 L N 0.430 121.757 121.223 0.173 0.000 2.462 261 L HA 0.622 4.962 4.340 0.000 0.000 0.272 261 L C -0.117 176.865 176.870 0.186 0.000 1.166 261 L CA -0.950 53.982 54.840 0.153 0.000 0.880 261 L CB 0.226 42.337 42.059 0.087 0.000 1.142 261 L HN 0.294 nan 8.230 nan 0.000 0.473 262 Y N 5.951 126.302 120.300 0.084 0.000 2.338 262 Y HA 0.436 4.986 4.550 0.000 0.000 0.333 262 Y C -1.811 174.172 175.900 0.139 0.000 0.968 262 Y CA -0.869 57.277 58.100 0.077 0.000 1.123 262 Y CB 1.103 39.593 38.460 0.051 0.000 1.165 262 Y HN 0.644 nan 8.280 nan 0.000 0.452 263 Y N 7.072 127.140 120.300 -0.386 0.000 2.349 263 Y HA 0.347 4.897 4.550 0.000 0.000 0.324 263 Y C -0.320 175.385 175.900 -0.325 0.000 1.005 263 Y CA -1.445 56.540 58.100 -0.193 0.000 1.240 263 Y CB 0.466 38.885 38.460 -0.068 0.000 1.117 263 Y HN 0.835 nan 8.280 nan 0.000 0.463 264 N N 4.428 122.661 118.700 -0.778 0.000 2.699 264 N HA -0.207 4.533 4.740 0.000 0.000 0.256 264 N C 1.030 176.263 175.510 -0.461 0.000 0.993 264 N CA 1.858 54.579 53.050 -0.549 0.000 0.759 264 N CB -1.089 37.023 38.487 -0.625 0.000 0.906 264 N HN 1.341 nan 8.380 nan 0.000 0.541 265 G N -2.094 106.224 108.800 -0.803 0.000 2.199 265 G HA2 -0.309 3.651 3.960 0.000 0.000 0.254 265 G HA3 -0.309 3.651 3.960 0.000 0.000 0.254 265 G C 0.003 174.622 174.900 -0.467 0.000 0.982 265 G CA 0.359 45.167 45.100 -0.486 0.000 0.632 265 G HN 0.421 nan 8.290 nan 0.000 0.529 266 L N 0.811 121.714 121.223 -0.534 0.000 2.264 266 L HA 0.440 4.780 4.340 0.000 0.000 0.289 266 L C 0.365 177.039 176.870 -0.326 0.000 1.044 266 L CA -0.574 54.049 54.840 -0.361 0.000 0.807 266 L CB 1.407 43.247 42.059 -0.365 0.000 1.192 266 L HN 0.022 nan 8.230 nan 0.000 0.425 267 K N 3.193 123.485 120.400 -0.181 0.000 2.265 267 K HA 0.162 4.482 4.320 0.000 0.000 0.242 267 K C 0.991 177.544 176.600 -0.080 0.000 1.137 267 K CA -0.318 55.939 56.287 -0.051 0.000 1.082 267 K CB 1.033 33.553 32.500 0.032 0.000 1.731 267 K HN 0.449 nan 8.250 nan 0.000 0.392 268 V N 1.671 121.512 119.914 -0.122 0.000 2.380 268 V HA -0.294 3.826 4.120 0.000 0.000 0.251 268 V C 1.967 178.023 176.094 -0.064 0.000 1.063 268 V CA 1.664 63.869 62.300 -0.158 0.000 1.055 268 V CB -0.561 31.152 31.823 -0.183 0.000 0.657 268 V HN 0.672 nan 8.190 nan 0.000 0.455 269 L N -0.178 121.057 121.223 0.019 0.000 2.156 269 L HA -0.107 4.233 4.340 0.000 0.000 0.208 269 L C 2.306 179.276 176.870 0.167 0.000 1.095 269 L CA 1.571 56.477 54.840 0.111 0.000 0.770 269 L CB -0.752 41.442 42.059 0.226 0.000 0.914 269 L HN 0.440 nan 8.230 nan 0.000 0.439 270 N N 0.083 118.843 118.700 0.100 0.000 2.120 270 N HA -0.180 4.560 4.740 0.000 0.000 0.188 270 N C 1.959 177.503 175.510 0.056 0.000 1.024 270 N CA 1.188 54.287 53.050 0.081 0.000 0.852 270 N CB -0.115 38.402 38.487 0.049 0.000 1.003 270 N HN 0.306 nan 8.380 nan 0.000 0.424 271 M N 0.754 120.360 119.600 0.009 0.000 2.159 271 M HA -0.108 4.372 4.480 0.000 0.000 0.263 271 M C 2.426 178.742 176.300 0.027 0.000 1.063 271 M CA 1.180 56.475 55.300 -0.009 0.000 1.110 271 M CB -0.276 32.274 32.600 -0.082 0.000 1.374 271 M HN 0.221 nan 8.290 nan 0.000 0.411 272 A N 0.377 123.218 122.820 0.035 0.000 1.930 272 A HA 0.028 4.348 4.320 0.000 0.000 0.217 272 A C 2.333 180.005 177.584 0.146 0.000 1.175 272 A CA 1.695 53.761 52.037 0.047 0.000 0.627 272 A CB -0.805 18.149 19.000 -0.077 0.000 0.815 272 A HN 0.492 nan 8.150 nan 0.000 0.443 273 A N -0.297 122.647 122.820 0.208 0.000 2.121 273 A HA -0.043 4.277 4.320 0.000 0.000 0.218 273 A C 1.429 179.061 177.584 0.080 0.000 1.154 273 A CA 1.155 53.292 52.037 0.167 0.000 0.679 273 A CB -0.295 18.777 19.000 0.120 0.000 0.795 273 A HN 0.617 nan 8.150 nan 0.000 0.458 274 E N 0.360 120.598 120.200 0.063 0.000 2.496 274 E HA 0.088 4.438 4.350 0.000 0.000 0.202 274 E C -0.756 175.865 176.600 0.035 0.000 1.021 274 E CA -0.447 55.976 56.400 0.039 0.000 1.015 274 E CB -0.325 29.392 29.700 0.029 0.000 1.102 274 E HN 0.615 nan 8.360 nan 0.000 0.452 275 N N 3.001 121.727 118.700 0.043 0.000 2.699 275 N HA -0.170 4.570 4.740 0.000 0.000 0.256 275 N C -0.385 175.142 175.510 0.028 0.000 0.993 275 N CA 0.395 53.465 53.050 0.033 0.000 0.759 275 N CB -0.704 37.798 38.487 0.025 0.000 0.906 275 N HN 0.408 nan 8.380 nan 0.000 0.541 276 D N 0.123 120.544 120.400 0.034 0.000 2.472 276 D HA 0.124 4.764 4.640 0.000 0.000 0.237 276 D C 1.161 177.479 176.300 0.031 0.000 1.141 276 D CA 0.632 54.655 54.000 0.038 0.000 0.875 276 D CB 1.054 41.888 40.800 0.057 0.000 1.192 276 D HN 0.359 nan 8.370 nan 0.000 0.450 277 A N 4.579 127.414 122.820 0.024 0.000 1.972 277 A HA -0.183 4.137 4.320 0.000 0.000 0.219 277 A C 1.543 179.116 177.584 -0.019 0.000 1.169 277 A CA 0.976 53.015 52.037 0.005 0.000 0.635 277 A CB -0.143 18.859 19.000 0.004 0.000 0.810 277 A HN 0.671 nan 8.150 nan 0.000 0.446 278 N N -0.268 118.417 118.700 -0.024 0.000 2.370 278 N HA 0.203 4.943 4.740 0.000 0.000 0.198 278 N C -0.239 175.186 175.510 -0.142 0.000 1.156 278 N CA 0.337 53.304 53.050 -0.139 0.000 0.839 278 N CB 0.383 38.699 38.487 -0.285 0.000 0.989 278 N HN 0.447 nan 8.380 nan 0.000 0.468 279 I N 0.601 121.159 120.570 -0.021 0.000 2.493 279 I HA 0.490 4.660 4.170 0.000 0.000 0.298 279 I C -0.438 175.665 176.117 -0.024 0.000 0.998 279 I CA -0.908 60.393 61.300 0.001 0.000 1.137 279 I CB 1.980 40.008 38.000 0.046 0.000 1.310 279 I HN -0.144 nan 8.210 nan 0.000 0.445 280 A N 7.401 130.201 122.820 -0.033 0.000 2.359 280 A HA 0.780 5.100 4.320 0.000 0.000 0.303 280 A C -0.924 176.641 177.584 -0.031 0.000 1.066 280 A CA -0.450 51.570 52.037 -0.029 0.000 0.730 280 A CB 1.132 20.113 19.000 -0.031 0.000 1.211 280 A HN 0.614 nan 8.150 nan 0.000 0.439 281 I N 2.107 122.660 120.570 -0.028 0.000 2.441 281 I HA 0.657 4.827 4.170 0.000 0.000 0.295 281 I C -0.749 175.357 176.117 -0.019 0.000 0.994 281 I CA -0.987 60.290 61.300 -0.039 0.000 1.144 281 I CB 1.940 39.913 38.000 -0.045 0.000 1.314 281 I HN 0.337 nan 8.210 nan 0.000 0.445 282 V N 3.869 123.775 119.914 -0.013 0.000 2.932 282 V HA 0.832 4.952 4.120 0.000 0.000 0.307 282 V C 0.269 176.369 176.094 0.011 0.000 1.147 282 V CA 0.066 62.366 62.300 0.001 0.000 0.951 282 V CB 1.719 33.547 31.823 0.009 0.000 1.031 282 V HN 1.125 nan 8.190 nan 0.000 0.426 283 G N 3.773 112.579 108.800 0.010 0.000 2.632 283 G HA2 -0.205 3.755 3.960 0.000 0.000 0.224 283 G HA3 -0.205 3.755 3.960 0.000 0.000 0.224 283 G C -0.132 174.770 174.900 0.003 0.000 1.341 283 G CA 0.105 45.217 45.100 0.019 0.000 0.880 283 G HN 0.908 nan 8.290 nan 0.000 0.566 284 N N 0.527 119.237 118.700 0.016 0.000 2.971 284 N HA 0.387 5.127 4.740 0.000 0.000 0.294 284 N C -0.318 175.156 175.510 -0.061 0.000 1.210 284 N CA 0.369 53.417 53.050 -0.002 0.000 1.157 284 N CB -0.248 38.254 38.487 0.026 0.000 1.450 284 N HN 0.703 nan 8.380 nan 0.000 0.527 285 V N 2.985 122.825 119.914 -0.123 0.000 2.577 285 V HA 0.519 4.639 4.120 0.000 0.000 0.303 285 V C -0.099 175.930 176.094 -0.109 0.000 1.042 285 V CA -0.836 61.292 62.300 -0.288 0.000 0.872 285 V CB 1.946 33.527 31.823 -0.403 0.000 0.998 285 V HN 0.324 nan 8.190 nan 0.000 0.423 286 R N 3.280 123.731 120.500 -0.082 0.000 2.686 286 R HA 0.633 4.973 4.340 0.000 0.000 0.283 286 R C -1.377 174.840 176.300 -0.138 0.000 0.978 286 R CA -0.938 55.135 56.100 -0.044 0.000 0.897 286 R CB 2.504 32.767 30.300 -0.062 0.000 1.192 286 R HN 0.565 nan 8.270 nan 0.000 0.457 287 L N 2.895 123.956 121.223 -0.269 0.000 2.319 287 L HA 0.272 4.612 4.340 0.000 0.000 0.280 287 L C -0.630 176.046 176.870 -0.323 0.000 1.099 287 L CA -0.163 54.316 54.840 -0.601 0.000 0.828 287 L CB 1.374 43.108 42.059 -0.542 0.000 1.150 287 L HN 0.357 nan 8.230 nan 0.000 0.442 288 V N 5.991 125.719 119.914 -0.310 0.000 2.583 288 V HA 0.478 4.598 4.120 0.000 0.000 0.287 288 V C 1.148 177.148 176.094 -0.155 0.000 1.051 288 V CA 0.148 62.342 62.300 -0.177 0.000 1.010 288 V CB 0.611 32.348 31.823 -0.144 0.000 0.988 288 V HN 0.988 nan 8.190 nan 0.000 0.478 289 G N 3.695 112.432 108.800 -0.106 0.000 2.508 289 G HA2 0.402 4.362 3.960 0.000 0.000 0.278 289 G HA3 0.402 4.362 3.960 0.000 0.000 0.278 289 G C -0.245 174.616 174.900 -0.065 0.000 1.389 289 G CA -0.489 44.561 45.100 -0.083 0.000 1.050 289 G HN 0.703 nan 8.290 nan 0.000 0.522 290 E N -1.669 118.501 120.200 -0.049 0.000 2.254 290 E HA 0.418 4.768 4.350 0.000 0.000 0.261 290 E C 0.537 177.117 176.600 -0.032 0.000 1.051 290 E CA -0.786 55.592 56.400 -0.038 0.000 0.902 290 E CB 1.822 31.503 29.700 -0.031 0.000 1.168 290 E HN 0.412 nan 8.360 nan 0.000 0.423 291 V N 0.000 119.898 119.914 -0.027 0.000 2.409 291 V HA 0.000 4.120 4.120 0.000 0.000 0.244 291 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 291 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 291 V HN 0.000 nan 8.190 nan 0.000 0.556