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_D 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 0.000 175.194 175.328 -0.223 0.000 0.993 82 H CA 0.000 55.799 56.048 -0.414 0.000 1.023 82 H CB 0.000 29.205 29.762 -0.928 0.000 1.292 83 A N 1.628 124.601 122.820 0.255 0.000 2.526 83 A HA 0.446 4.766 4.320 -0.000 0.000 0.267 83 A C 0.895 178.552 177.584 0.122 0.000 1.095 83 A CA 1.680 53.830 52.037 0.189 0.000 0.775 83 A CB -1.445 17.625 19.000 0.117 0.000 1.036 83 A HN 1.522 nan 8.150 nan 0.000 0.510 84 G N 2.162 111.010 108.800 0.080 0.000 2.663 84 G HA2 0.156 4.116 3.960 -0.000 0.000 0.686 84 G HA3 0.156 4.116 3.960 -0.000 0.000 0.686 84 G C -0.161 174.782 174.900 0.073 0.000 1.246 84 G CA -0.526 44.622 45.100 0.081 0.000 0.795 84 G HN 1.411 nan 8.290 nan 0.000 0.627 85 T N 1.658 116.253 114.554 0.069 0.000 2.828 85 T HA 0.372 4.722 4.350 -0.000 0.000 0.282 85 T C 0.770 175.523 174.700 0.087 0.000 1.031 85 T CA 1.360 63.491 62.100 0.051 0.000 1.136 85 T CB 0.094 69.023 68.868 0.102 0.000 1.057 85 T HN 0.940 nan 8.240 nan 0.000 0.499 86 T N 3.012 117.561 114.554 -0.009 0.000 2.876 86 T HA 0.566 4.916 4.350 -0.000 0.000 0.289 86 T C -1.235 173.423 174.700 -0.069 0.000 1.014 86 T CA -0.484 61.655 62.100 0.065 0.000 0.986 86 T CB 0.967 69.864 68.868 0.048 0.000 1.021 86 T HN 0.456 nan 8.240 nan 0.000 0.458 87 Y N 0.989 121.370 120.300 0.135 0.000 2.425 87 Y HA 0.618 5.168 4.550 -0.000 0.000 0.344 87 Y C -0.121 175.869 175.900 0.151 0.000 0.969 87 Y CA -1.065 57.074 58.100 0.065 0.000 1.052 87 Y CB 1.424 39.880 38.460 -0.007 0.000 1.215 87 Y HN 0.468 nan 8.280 nan 0.000 0.451 88 I N 3.787 124.451 120.570 0.157 0.000 2.412 88 I HA 0.330 4.500 4.170 -0.000 0.000 0.296 88 I C -1.192 174.966 176.117 0.068 0.000 0.987 88 I CA -0.626 60.801 61.300 0.210 0.000 1.180 88 I CB 1.009 39.078 38.000 0.115 0.000 1.340 88 I HN 0.376 nan 8.210 nan 0.000 0.455 89 F N 3.724 123.804 119.950 0.217 0.000 2.444 89 F HA 0.474 5.001 4.527 -0.000 0.000 0.342 89 F C 0.421 176.266 175.800 0.075 0.000 1.121 89 F CA -0.282 57.821 58.000 0.172 0.000 0.997 89 F CB 1.739 40.902 39.000 0.272 0.000 1.130 89 F HN 0.328 nan 8.300 nan 0.000 0.454 90 S N 0.976 116.772 115.700 0.160 0.000 2.751 90 S HA 0.412 4.882 4.470 -0.000 0.000 0.310 90 S C -0.730 173.914 174.600 0.072 0.000 1.128 90 S CA -1.289 56.964 58.200 0.089 0.000 0.931 90 S CB 1.354 64.586 63.200 0.053 0.000 1.177 90 S HN 0.544 nan 8.310 nan 0.000 0.530 91 K N 0.534 120.960 120.400 0.042 0.000 2.427 91 K HA 0.057 4.377 4.320 -0.000 0.000 0.262 91 K C 1.107 177.731 176.600 0.040 0.000 1.094 91 K CA 1.353 57.660 56.287 0.032 0.000 1.184 91 K CB -0.882 31.631 32.500 0.021 0.000 0.796 91 K HN 0.942 nan 8.250 nan 0.000 0.491 92 G N 2.199 111.024 108.800 0.042 0.000 2.238 92 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 92 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 92 G C 0.588 175.529 174.900 0.069 0.000 0.996 92 G CA -0.137 44.990 45.100 0.045 0.000 0.632 92 G HN 1.594 nan 8.290 nan 0.000 0.503 93 G N -0.942 107.919 108.800 0.101 0.000 2.819 93 G HA2 0.502 4.462 3.960 -0.000 0.000 0.682 93 G HA3 0.502 4.462 3.960 -0.000 0.000 0.682 93 G C 0.641 175.649 174.900 0.180 0.000 1.481 93 G CA 0.709 45.910 45.100 0.169 0.000 0.904 93 G HN 2.226 nan 8.290 nan 0.000 0.563 94 G N -1.187 107.798 108.800 0.307 0.000 2.975 94 G HA2 0.896 4.856 3.960 -0.000 0.000 0.291 94 G HA3 0.896 4.856 3.960 -0.000 0.000 0.291 94 G C -0.780 174.304 174.900 0.307 0.000 1.334 94 G CA 0.596 45.832 45.100 0.226 0.000 0.843 94 G HN 1.265 nan 8.290 nan 0.000 0.548 95 Q N -0.772 119.151 119.800 0.206 0.000 2.443 95 Q HA 0.435 4.775 4.340 -0.000 0.000 0.258 95 Q C -1.962 174.087 176.000 0.081 0.000 0.967 95 Q CA -0.529 55.389 55.803 0.190 0.000 0.951 95 Q CB 2.056 30.856 28.738 0.104 0.000 1.459 95 Q HN 0.508 nan 8.270 nan 0.000 0.415 96 I N 2.999 123.616 120.570 0.079 0.000 2.389 96 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 96 I C -0.711 175.397 176.117 -0.014 0.000 0.999 96 I CA -0.587 60.694 61.300 -0.032 0.000 1.129 96 I CB 2.180 40.111 38.000 -0.116 0.000 1.288 96 I HN 0.533 nan 8.210 nan 0.000 0.444 97 T N 5.358 119.896 114.554 -0.027 0.000 2.812 97 T HA 0.338 4.688 4.350 -0.000 0.000 0.282 97 T C -1.047 173.631 174.700 -0.036 0.000 0.990 97 T CA -0.450 61.636 62.100 -0.024 0.000 0.960 97 T CB 1.133 69.984 68.868 -0.029 0.000 0.948 97 T HN 0.315 nan 8.240 nan 0.000 0.438 98 Y N 2.886 123.087 120.300 -0.166 0.000 2.341 98 Y HA 0.612 5.162 4.550 -0.000 0.000 0.337 98 Y C -0.181 175.573 175.900 -0.244 0.000 1.014 98 Y CA -0.975 56.975 58.100 -0.250 0.000 1.111 98 Y CB 1.040 39.268 38.460 -0.386 0.000 1.194 98 Y HN 0.493 nan 8.280 nan 0.000 0.462 99 K N 7.009 126.864 120.400 -0.908 0.000 2.535 99 K HA 0.219 4.539 4.320 -0.000 0.000 0.253 99 K C -1.227 174.996 176.600 -0.628 0.000 0.953 99 K CA -0.545 55.432 56.287 -0.516 0.000 0.863 99 K CB 0.706 33.054 32.500 -0.253 0.000 1.111 99 K HN 0.668 nan 8.250 nan 0.000 0.431 100 W N 4.978 126.083 121.300 -0.326 0.000 2.193 100 W HA 0.084 4.744 4.660 -0.000 0.000 0.338 100 W C -1.919 174.525 176.519 -0.125 0.000 1.310 100 W CA -1.386 55.873 57.345 -0.144 0.000 1.243 100 W CB 0.461 29.947 29.460 0.043 0.000 1.165 100 W HN 0.435 nan 8.180 nan 0.000 0.566 101 P HA 0.068 nan 4.420 nan 0.000 0.275 101 P C -1.951 175.403 177.300 0.091 0.000 1.227 101 P CA -1.022 62.122 63.100 0.074 0.000 0.781 101 P CB 0.406 32.140 31.700 0.056 0.000 0.906 102 P HA -0.248 nan 4.420 nan 0.000 0.222 102 P C 0.871 178.179 177.300 0.012 0.000 1.157 102 P CA 1.954 65.070 63.100 0.028 0.000 0.905 102 P CB -0.339 31.370 31.700 0.014 0.000 0.792 103 N N -1.777 116.932 118.700 0.016 0.000 2.461 103 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 103 N C 0.400 175.910 175.510 -0.001 0.000 1.134 103 N CA 0.163 53.214 53.050 0.002 0.000 0.878 103 N CB -0.069 38.422 38.487 0.007 0.000 0.972 103 N HN 0.167 nan 8.380 nan 0.000 0.456 104 D N 0.662 121.074 120.400 0.020 0.000 2.479 104 D HA 0.100 4.740 4.640 -0.000 0.000 0.218 104 D C -0.130 176.098 176.300 -0.120 0.000 1.177 104 D CA -0.075 53.935 54.000 0.017 0.000 0.830 104 D CB 0.489 41.372 40.800 0.139 0.000 1.014 104 D HN 0.087 nan 8.370 nan 0.000 0.503 105 R N 2.488 122.883 120.500 -0.174 0.000 2.399 105 R HA 0.115 4.455 4.340 -0.000 0.000 0.324 105 R C -2.081 173.942 176.300 -0.462 0.000 1.030 105 R CA -0.703 55.155 56.100 -0.405 0.000 0.984 105 R CB 0.335 30.495 30.300 -0.233 0.000 0.961 105 R HN 0.097 nan 8.270 nan 0.000 0.433 106 P HA 0.123 nan 4.420 nan 0.000 0.276 106 P C -0.795 176.244 177.300 -0.433 0.000 1.252 106 P CA -0.418 62.389 63.100 -0.488 0.000 0.802 106 P CB 1.333 32.727 31.700 -0.510 0.000 1.035 107 S N -0.202 115.335 115.700 -0.272 0.000 2.557 107 S HA 0.626 5.096 4.470 -0.000 0.000 0.291 107 S C -0.461 174.065 174.600 -0.124 0.000 1.116 107 S CA -0.434 57.650 58.200 -0.194 0.000 0.992 107 S CB 1.479 64.607 63.200 -0.120 0.000 1.028 107 S HN 0.712 nan 8.310 nan 0.000 0.484 108 T N -0.077 114.438 114.554 -0.065 0.000 2.903 108 T HA 0.548 4.898 4.350 -0.000 0.000 0.299 108 T C 0.298 175.019 174.700 0.036 0.000 1.093 108 T CA -0.998 61.089 62.100 -0.021 0.000 1.002 108 T CB 1.735 70.585 68.868 -0.030 0.000 1.127 108 T HN 0.433 nan 8.240 nan 0.000 0.488 109 R N 0.201 120.707 120.500 0.011 0.000 2.265 109 R HA 0.513 4.853 4.340 -0.000 0.000 0.194 109 R C 0.578 176.876 176.300 -0.003 0.000 0.931 109 R CA 0.236 56.346 56.100 0.016 0.000 1.032 109 R CB 0.532 30.835 30.300 0.005 0.000 0.980 109 R HN 0.816 nan 8.270 nan 0.000 0.497 110 A N 0.917 123.727 122.820 -0.017 0.000 2.449 110 A HA 0.515 4.835 4.320 -0.000 0.000 0.302 110 A C -1.618 175.937 177.584 -0.047 0.000 1.048 110 A CA -0.838 51.168 52.037 -0.051 0.000 0.708 110 A CB 1.703 20.666 19.000 -0.062 0.000 1.274 110 A HN -0.057 nan 8.150 nan 0.000 0.410 111 D N 0.524 120.884 120.400 -0.065 0.000 2.671 111 D HA 0.586 5.226 4.640 -0.000 0.000 0.232 111 D C -0.926 175.341 176.300 -0.055 0.000 1.114 111 D CA -0.277 53.707 54.000 -0.028 0.000 0.858 111 D CB 2.084 42.993 40.800 0.182 0.000 1.544 111 D HN 0.508 nan 8.370 nan 0.000 0.471 112 R N 0.759 121.247 120.500 -0.020 0.000 2.502 112 R HA 0.577 4.917 4.340 -0.000 0.000 0.300 112 R C -1.243 175.205 176.300 0.246 0.000 0.984 112 R CA -0.812 55.333 56.100 0.075 0.000 0.882 112 R CB 2.067 32.432 30.300 0.107 0.000 1.180 112 R HN 0.249 nan 8.270 nan 0.000 0.444 113 L N 2.180 123.612 121.223 0.348 0.000 2.409 113 L HA 0.869 5.209 4.340 -0.000 0.000 0.272 113 L C -1.499 175.555 176.870 0.307 0.000 0.980 113 L CA -0.194 54.901 54.840 0.426 0.000 0.826 113 L CB 2.037 44.381 42.059 0.475 0.000 1.268 113 L HN 0.778 nan 8.230 nan 0.000 0.407 114 A N 5.695 128.692 122.820 0.295 0.000 2.475 114 A HA 0.901 5.221 4.320 -0.000 0.000 0.301 114 A C -1.482 176.205 177.584 0.172 0.000 1.059 114 A CA -0.491 51.658 52.037 0.187 0.000 0.710 114 A CB 1.404 20.478 19.000 0.124 0.000 1.288 114 A HN 0.880 nan 8.150 nan 0.000 0.408 115 I N 0.497 121.143 120.570 0.127 0.000 2.908 115 I HA 0.641 4.811 4.170 -0.000 0.000 0.300 115 I C -0.098 176.092 176.117 0.122 0.000 1.385 115 I CA -0.496 60.882 61.300 0.129 0.000 1.004 115 I CB 2.187 40.241 38.000 0.091 0.000 1.309 115 I HN 0.897 nan 8.210 nan 0.000 0.449 116 G N 4.737 113.612 108.800 0.125 0.000 2.388 116 G HA2 0.711 4.671 3.960 -0.000 0.000 0.330 116 G HA3 0.711 4.671 3.960 -0.000 0.000 0.330 116 G C -1.418 173.531 174.900 0.081 0.000 1.142 116 G CA -0.398 44.681 45.100 -0.035 0.000 0.908 116 G HN 0.640 nan 8.290 nan 0.000 0.473 117 F N -0.190 119.676 119.950 -0.141 0.000 2.686 117 F HA 0.824 5.351 4.527 -0.000 0.000 0.311 117 F C -0.569 175.318 175.800 0.144 0.000 1.128 117 F CA -1.450 56.587 58.000 0.063 0.000 0.946 117 F CB 1.716 40.705 39.000 -0.019 0.000 1.336 117 F HN 0.688 nan 8.300 nan 0.000 0.457 118 S N 0.577 116.526 115.700 0.416 0.000 2.566 118 S HA 0.786 5.256 4.470 -0.000 0.000 0.273 118 S C -1.041 173.830 174.600 0.451 0.000 1.157 118 S CA -0.223 58.160 58.200 0.306 0.000 0.938 118 S CB 1.447 64.763 63.200 0.195 0.000 1.087 118 S HN 1.393 nan 8.310 nan 0.000 0.474 119 T N -0.224 114.553 114.554 0.371 0.000 2.775 119 T HA 0.505 4.855 4.350 -0.000 0.000 0.320 119 T C -0.310 174.483 174.700 0.154 0.000 1.597 119 T CA 0.074 62.284 62.100 0.184 0.000 1.022 119 T CB 1.109 70.058 68.868 0.135 0.000 1.485 119 T HN 1.687 nan 8.240 nan 0.000 0.494 120 V N -0.115 119.833 119.914 0.056 0.000 3.432 120 V HA 0.484 4.603 4.120 -0.000 0.000 0.298 120 V C 0.586 176.702 176.094 0.035 0.000 1.464 120 V CA -0.117 62.221 62.300 0.064 0.000 1.046 120 V CB -0.335 31.515 31.823 0.044 0.000 0.887 120 V HN 0.787 nan 8.190 nan 0.000 0.441 121 Q N 1.087 120.888 119.800 0.002 0.000 2.395 121 Q HA 0.246 4.586 4.340 -0.000 0.000 0.271 121 Q C 0.736 176.749 176.000 0.022 0.000 1.026 121 Q CA -0.034 55.764 55.803 -0.009 0.000 0.900 121 Q CB 0.957 29.663 28.738 -0.053 0.000 1.266 121 Q HN 0.167 nan 8.270 nan 0.000 0.430 122 K N 0.972 121.376 120.400 0.007 0.000 2.211 122 K HA 0.081 4.400 4.320 -0.000 0.000 0.201 122 K C -0.069 176.530 176.600 -0.002 0.000 1.052 122 K CA 0.964 57.248 56.287 -0.005 0.000 0.973 122 K CB 0.597 33.081 32.500 -0.027 0.000 0.766 122 K HN 0.538 nan 8.250 nan 0.000 0.466 123 E N -0.249 119.958 120.200 0.013 0.000 2.317 123 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 123 E C -1.121 175.505 176.600 0.043 0.000 0.885 123 E CA -0.853 55.570 56.400 0.038 0.000 0.760 123 E CB 2.364 32.089 29.700 0.041 0.000 1.227 123 E HN 0.068 nan 8.360 nan 0.000 0.434 124 A N 0.838 123.695 122.820 0.061 0.000 2.583 124 A HA 0.351 4.671 4.320 -0.000 0.000 0.300 124 A C -1.680 175.954 177.584 0.083 0.000 0.966 124 A CA -0.664 51.423 52.037 0.083 0.000 0.673 124 A CB 0.695 19.787 19.000 0.154 0.000 1.297 124 A HN 0.219 nan 8.150 nan 0.000 0.418 125 V N 3.385 123.334 119.914 0.058 0.000 2.347 125 V HA 0.350 4.470 4.120 -0.000 0.000 0.280 125 V C 0.999 177.052 176.094 -0.069 0.000 1.021 125 V CA -0.305 62.009 62.300 0.024 0.000 0.847 125 V CB 1.126 32.957 31.823 0.013 0.000 0.990 125 V HN 0.808 nan 8.190 nan 0.000 0.444 126 L N 4.762 125.875 121.223 -0.182 0.000 2.145 126 L HA 0.293 4.632 4.340 -0.000 0.000 0.201 126 L C 0.195 176.876 176.870 -0.314 0.000 1.075 126 L CA 0.978 55.579 54.840 -0.399 0.000 0.773 126 L CB -0.042 41.668 42.059 -0.581 0.000 0.936 126 L HN 0.405 nan 8.230 nan 0.000 0.451 127 V N -0.089 119.692 119.914 -0.222 0.000 2.888 127 V HA 0.482 4.602 4.120 -0.000 0.000 0.309 127 V C -0.788 175.232 176.094 -0.124 0.000 1.114 127 V CA -0.723 61.474 62.300 -0.171 0.000 0.940 127 V CB 2.769 34.488 31.823 -0.173 0.000 1.021 127 V HN 0.235 nan 8.190 nan 0.000 0.426 128 R N 2.387 122.835 120.500 -0.086 0.000 2.564 128 R HA 0.791 5.131 4.340 -0.000 0.000 0.284 128 R C -2.174 174.130 176.300 0.006 0.000 1.031 128 R CA -0.402 55.682 56.100 -0.027 0.000 0.904 128 R CB 2.298 32.598 30.300 -0.001 0.000 1.199 128 R HN 0.534 nan 8.270 nan 0.000 0.443 129 V N 4.110 124.068 119.914 0.073 0.000 2.417 129 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 129 V C -0.533 175.781 176.094 0.368 0.000 1.024 129 V CA -0.579 61.826 62.300 0.175 0.000 0.861 129 V CB 1.640 33.566 31.823 0.171 0.000 0.985 129 V HN 0.768 nan 8.190 nan 0.000 0.436 130 D N 2.331 122.911 120.400 0.300 0.000 2.350 130 D HA 0.445 5.085 4.640 -0.000 0.000 0.245 130 D C -0.059 176.387 176.300 0.243 0.000 1.036 130 D CA -0.125 54.056 54.000 0.302 0.000 0.848 130 D CB 2.420 43.325 40.800 0.175 0.000 1.307 130 D HN 0.625 nan 8.370 nan 0.000 0.469 131 S N 0.387 116.249 115.700 0.271 0.000 2.624 131 S HA 0.351 4.821 4.470 -0.000 0.000 0.263 131 S C 0.649 175.304 174.600 0.093 0.000 1.287 131 S CA -0.801 57.479 58.200 0.134 0.000 0.990 131 S CB 0.886 64.217 63.200 0.218 0.000 0.950 131 S HN 0.448 nan 8.310 nan 0.000 0.561 132 S N 1.201 116.925 115.700 0.040 0.000 2.587 132 S HA 0.256 4.726 4.470 -0.000 0.000 0.260 132 S C 0.293 174.922 174.600 0.047 0.000 1.353 132 S CA -0.754 57.469 58.200 0.038 0.000 0.995 132 S CB -0.246 62.961 63.200 0.013 0.000 0.912 132 S HN 0.743 nan 8.310 nan 0.000 0.568 133 S N 0.921 116.643 115.700 0.037 0.000 2.558 133 S HA 0.437 4.907 4.470 -0.000 0.000 0.291 133 S C 1.538 176.158 174.600 0.032 0.000 1.306 133 S CA 0.555 58.775 58.200 0.033 0.000 1.056 133 S CB -0.108 63.106 63.200 0.023 0.000 0.836 133 S HN 1.633 nan 8.310 nan 0.000 0.504 134 G N 1.892 110.712 108.800 0.034 0.000 2.358 134 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.224 134 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.224 134 G C -0.038 174.889 174.900 0.044 0.000 1.073 134 G CA -0.152 44.967 45.100 0.033 0.000 0.635 134 G HN 0.587 nan 8.290 nan 0.000 0.509 135 L N 1.017 122.276 121.223 0.060 0.000 2.379 135 L HA 0.632 4.972 4.340 -0.000 0.000 0.269 135 L C 1.706 178.641 176.870 0.109 0.000 1.084 135 L CA 0.103 54.992 54.840 0.082 0.000 0.802 135 L CB 1.505 43.620 42.059 0.093 0.000 1.175 135 L HN 0.187 nan 8.230 nan 0.000 0.448 136 G N -0.345 108.526 108.800 0.118 0.000 3.088 136 G HA2 0.016 3.976 3.960 -0.000 0.000 0.217 136 G HA3 0.016 3.976 3.960 -0.000 0.000 0.217 136 G C 0.062 175.099 174.900 0.228 0.000 1.159 136 G CA -0.268 44.921 45.100 0.150 0.000 0.760 136 G HN 0.561 nan 8.290 nan 0.000 0.550 137 D N 0.529 121.063 120.400 0.225 0.000 2.424 137 D HA 0.431 5.071 4.640 -0.000 0.000 0.244 137 D C -0.173 176.333 176.300 0.343 0.000 1.134 137 D CA 0.514 54.651 54.000 0.229 0.000 0.881 137 D CB 0.583 41.620 40.800 0.394 0.000 1.191 137 D HN 0.494 nan 8.370 nan 0.000 0.445 138 Y N -0.108 120.127 120.300 -0.109 0.000 2.677 138 Y HA 0.565 5.115 4.550 -0.000 0.000 0.334 138 Y C -2.369 173.351 175.900 -0.300 0.000 1.196 138 Y CA -1.601 56.452 58.100 -0.078 0.000 1.059 138 Y CB 0.843 39.319 38.460 0.026 0.000 1.315 138 Y HN 0.213 nan 8.280 nan 0.000 0.455 139 L N 2.059 123.256 121.223 -0.043 0.000 2.476 139 L HA 0.690 5.030 4.340 -0.000 0.000 0.269 139 L C -1.531 175.361 176.870 0.037 0.000 0.965 139 L CA -0.679 54.070 54.840 -0.152 0.000 0.845 139 L CB 2.105 44.041 42.059 -0.204 0.000 1.259 139 L HN 0.914 nan 8.230 nan 0.000 0.403 140 E N 3.789 123.989 120.200 0.000 0.000 2.248 140 E HA 0.541 4.891 4.350 -0.000 0.000 0.267 140 E C -1.952 174.473 176.600 -0.292 0.000 0.877 140 E CA -0.943 55.434 56.400 -0.039 0.000 0.759 140 E CB 2.156 31.939 29.700 0.138 0.000 1.182 140 E HN 0.727 nan 8.360 nan 0.000 0.418 141 L N 6.053 127.105 121.223 -0.286 0.000 2.296 141 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 141 L C -1.079 175.611 176.870 -0.301 0.000 1.023 141 L CA -0.048 54.562 54.840 -0.384 0.000 0.812 141 L CB 0.926 42.814 42.059 -0.284 0.000 1.223 141 L HN 0.658 nan 8.230 nan 0.000 0.421 142 H N 3.334 122.316 119.070 -0.146 0.000 2.990 142 H HA 0.575 5.131 4.556 0.000 0.000 0.336 142 H C -1.402 173.866 175.328 -0.101 0.000 1.306 142 H CA -1.251 54.725 56.048 -0.119 0.000 1.118 142 H CB 1.435 31.155 29.762 -0.070 0.000 1.856 142 H HN 0.514 nan 8.280 nan 0.000 0.538 143 I N 1.567 122.236 120.570 0.165 0.000 2.433 143 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 143 I C -0.995 175.204 176.117 0.137 0.000 1.001 143 I CA -0.394 60.970 61.300 0.106 0.000 1.119 143 I CB 1.580 39.601 38.000 0.035 0.000 1.289 143 I HN 0.573 nan 8.210 nan 0.000 0.438 144 H N 5.795 124.874 119.070 0.016 0.000 2.840 144 H HA 0.272 4.828 4.556 -0.000 0.000 0.340 144 H C -0.901 174.427 175.328 -0.001 0.000 1.004 144 H CA -0.544 55.481 56.048 -0.037 0.000 1.288 144 H CB 1.073 30.774 29.762 -0.102 0.000 1.607 144 H HN 0.563 nan 8.280 nan 0.000 0.522 145 Q N 3.757 123.312 119.800 -0.408 0.000 2.451 145 Q HA -0.223 4.117 4.340 -0.000 0.000 0.305 145 Q C 0.887 176.826 176.000 -0.103 0.000 1.345 145 Q CA 0.999 56.627 55.803 -0.292 0.000 0.854 145 Q CB -1.714 26.791 28.738 -0.388 0.000 1.162 145 Q HN 1.287 nan 8.270 nan 0.000 0.440 146 G N -0.638 108.141 108.800 -0.035 0.000 2.155 146 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.257 146 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.257 146 G C -0.080 174.855 174.900 0.058 0.000 0.983 146 G CA 0.808 45.924 45.100 0.028 0.000 0.676 146 G HN 0.229 nan 8.290 nan 0.000 0.528 147 K N -0.282 120.150 120.400 0.054 0.000 2.259 147 K HA 0.660 4.980 4.320 -0.000 0.000 0.252 147 K C -0.367 176.288 176.600 0.091 0.000 0.936 147 K CA -1.244 55.095 56.287 0.088 0.000 0.810 147 K CB 2.537 35.091 32.500 0.091 0.000 1.143 147 K HN 0.176 nan 8.250 nan 0.000 0.427 148 I N 0.844 121.457 120.570 0.071 0.000 2.472 148 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 148 I C 0.132 176.272 176.117 0.038 0.000 1.016 148 I CA 0.601 61.903 61.300 0.003 0.000 1.348 148 I CB 1.129 39.099 38.000 -0.050 0.000 1.417 148 I HN 0.767 nan 8.210 nan 0.000 0.521 149 G N 5.307 114.100 108.800 -0.012 0.000 2.576 149 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 149 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 149 G C -2.126 172.573 174.900 -0.335 0.000 1.442 149 G CA -0.568 44.505 45.100 -0.044 0.000 0.792 149 G HN 0.509 nan 8.290 nan 0.000 0.491 150 V N 0.236 119.980 119.914 -0.284 0.000 2.735 150 V HA 0.734 4.853 4.120 -0.000 0.000 0.310 150 V C -0.251 175.690 176.094 -0.253 0.000 1.061 150 V CA -0.858 61.164 62.300 -0.463 0.000 0.913 150 V CB 1.990 33.433 31.823 -0.633 0.000 1.005 150 V HN 0.856 nan 8.190 nan 0.000 0.428 151 K N 4.115 124.378 120.400 -0.229 0.000 2.397 151 K HA 0.744 5.064 4.320 -0.000 0.000 0.253 151 K C -1.536 175.001 176.600 -0.105 0.000 0.932 151 K CA -0.470 55.786 56.287 -0.051 0.000 0.795 151 K CB 1.814 34.415 32.500 0.168 0.000 1.159 151 K HN 0.606 nan 8.250 nan 0.000 0.424 152 F N 0.603 120.322 119.950 -0.385 0.000 2.664 152 F HA 0.626 5.153 4.527 0.000 0.000 0.317 152 F C -1.393 173.993 175.800 -0.691 0.000 1.108 152 F CA -1.013 56.572 58.000 -0.692 0.000 0.957 152 F CB 1.647 40.337 39.000 -0.517 0.000 1.365 152 F HN 0.391 nan 8.300 nan 0.000 0.475 153 N N 0.619 118.909 118.700 -0.683 0.000 2.455 153 N HA 0.409 5.148 4.740 -0.000 0.000 0.285 153 N C -1.325 174.033 175.510 -0.253 0.000 1.080 153 N CA -0.410 52.365 53.050 -0.458 0.000 0.932 153 N CB 2.498 40.728 38.487 -0.428 0.000 1.610 153 N HN 1.010 nan 8.380 nan 0.000 0.493 154 V N 1.088 120.954 119.914 -0.079 0.000 2.838 154 V HA 0.682 4.802 4.120 -0.000 0.000 0.363 154 V C 0.980 177.093 176.094 0.032 0.000 1.324 154 V CA 0.542 62.842 62.300 0.001 0.000 1.220 154 V CB -0.002 31.863 31.823 0.070 0.000 1.328 154 V HN 0.899 nan 8.190 nan 0.000 0.595 155 G N 0.441 109.248 108.800 0.011 0.000 2.659 155 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.202 155 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.202 155 G C 0.569 175.472 174.900 0.005 0.000 1.186 155 G CA 0.324 45.438 45.100 0.023 0.000 0.783 155 G HN 0.569 nan 8.290 nan 0.000 0.521 156 T N 1.896 116.445 114.554 -0.007 0.000 5.766 156 T HA 0.373 4.723 4.350 -0.000 0.000 0.333 156 T C 0.545 175.220 174.700 -0.042 0.000 0.879 156 T CA 1.018 63.106 62.100 -0.019 0.000 1.262 156 T CB -0.136 68.719 68.868 -0.021 0.000 1.367 156 T HN 0.431 nan 8.240 nan 0.000 0.321 157 D N 0.857 121.214 120.400 -0.072 0.000 2.487 157 D HA 0.334 4.974 4.640 -0.000 0.000 0.262 157 D C -0.850 175.347 176.300 -0.172 0.000 1.130 157 D CA -0.481 53.464 54.000 -0.091 0.000 1.038 157 D CB 0.475 41.228 40.800 -0.079 0.000 1.142 157 D HN 0.244 nan 8.370 nan 0.000 0.575 158 D N 0.362 120.668 120.400 -0.157 0.000 2.390 158 D HA 0.306 4.945 4.640 -0.000 0.000 0.249 158 D C -0.236 175.868 176.300 -0.326 0.000 1.144 158 D CA 0.235 54.101 54.000 -0.224 0.000 0.880 158 D CB 0.661 41.407 40.800 -0.090 0.000 1.182 158 D HN 0.151 nan 8.370 nan 0.000 0.451 159 I N 1.567 121.776 120.570 -0.602 0.000 2.474 159 I HA 0.572 4.742 4.170 -0.000 0.000 0.294 159 I C -0.218 175.607 176.117 -0.485 0.000 1.005 159 I CA -0.817 60.099 61.300 -0.640 0.000 1.113 159 I CB 1.886 39.227 38.000 -1.100 0.000 1.289 159 I HN 0.300 nan 8.210 nan 0.000 0.436 160 A N 7.288 129.984 122.820 -0.206 0.000 2.386 160 A HA 0.887 5.207 4.320 -0.000 0.000 0.311 160 A C -1.185 176.413 177.584 0.022 0.000 1.068 160 A CA -0.545 51.456 52.037 -0.060 0.000 0.743 160 A CB 1.754 20.745 19.000 -0.016 0.000 1.258 160 A HN 0.740 nan 8.150 nan 0.000 0.429 161 I N 1.223 121.840 120.570 0.078 0.000 2.656 161 I HA 0.638 4.808 4.170 -0.000 0.000 0.292 161 I C -1.002 175.174 176.117 0.099 0.000 1.144 161 I CA -0.223 61.143 61.300 0.109 0.000 1.038 161 I CB 1.853 39.964 38.000 0.184 0.000 1.244 161 I HN 0.966 nan 8.210 nan 0.000 0.420 162 E N 5.342 125.600 120.200 0.097 0.000 2.413 162 E HA 0.351 4.701 4.350 -0.000 0.000 0.277 162 E C -1.806 174.860 176.600 0.109 0.000 0.958 162 E CA -0.750 55.710 56.400 0.101 0.000 0.779 162 E CB 1.929 31.698 29.700 0.114 0.000 1.278 162 E HN 0.469 nan 8.360 nan 0.000 0.456 163 E N 1.284 121.557 120.200 0.122 0.000 2.046 163 E HA 0.283 4.632 4.350 -0.000 0.000 0.279 163 E C -0.882 175.809 176.600 0.152 0.000 0.989 163 E CA -0.201 56.295 56.400 0.161 0.000 0.798 163 E CB 1.138 30.962 29.700 0.206 0.000 1.086 163 E HN 0.461 nan 8.360 nan 0.000 0.399 164 S N 3.805 119.576 115.700 0.118 0.000 2.517 164 S HA 0.078 4.547 4.470 -0.000 0.000 0.214 164 S C 0.619 175.252 174.600 0.055 0.000 0.991 164 S CA -0.177 58.074 58.200 0.084 0.000 0.906 164 S CB 0.099 63.337 63.200 0.064 0.000 0.789 164 S HN 0.541 nan 8.310 nan 0.000 0.513 165 N N 2.165 120.891 118.700 0.043 0.000 2.295 165 N HA 0.365 5.105 4.740 -0.000 0.000 0.221 165 N C -0.279 175.168 175.510 -0.105 0.000 1.129 165 N CA 0.150 53.179 53.050 -0.035 0.000 0.836 165 N CB 0.809 39.254 38.487 -0.070 0.000 1.040 165 N HN 0.264 nan 8.380 nan 0.000 0.494 166 A N 1.267 124.083 122.820 -0.006 0.000 2.495 166 A HA 0.239 4.559 4.320 -0.000 0.000 0.297 166 A C -0.113 177.579 177.584 0.180 0.000 1.036 166 A CA -0.860 51.155 52.037 -0.036 0.000 0.982 166 A CB 0.588 19.280 19.000 -0.513 0.000 1.476 166 A HN 0.139 nan 8.150 nan 0.000 0.393 167 I N 1.334 121.969 120.570 0.108 0.000 2.892 167 I HA 0.399 4.569 4.170 -0.000 0.000 0.287 167 I C 0.283 176.498 176.117 0.164 0.000 1.205 167 I CA 0.055 61.428 61.300 0.122 0.000 1.409 167 I CB 0.088 38.138 38.000 0.084 0.000 1.367 167 I HN 0.676 nan 8.210 nan 0.000 0.597 168 I N 1.324 121.984 120.570 0.149 0.000 4.160 168 I HA 0.263 4.433 4.170 -0.000 0.000 0.325 168 I C 0.385 176.698 176.117 0.326 0.000 1.455 168 I CA -0.128 61.216 61.300 0.074 0.000 1.142 168 I CB -0.973 37.013 38.000 -0.024 0.000 1.262 168 I HN 0.615 nan 8.210 nan 0.000 0.483 169 N N 1.133 119.985 118.700 0.253 0.000 2.558 169 N HA 0.013 4.753 4.740 -0.000 0.000 0.281 169 N C 0.029 175.655 175.510 0.194 0.000 1.219 169 N CA 0.021 53.215 53.050 0.241 0.000 0.942 169 N CB -0.230 38.349 38.487 0.154 0.000 1.241 169 N HN 0.469 nan 8.380 nan 0.000 0.511 170 D N -1.570 118.971 120.400 0.235 0.000 2.342 170 D HA 0.157 4.797 4.640 -0.000 0.000 0.221 170 D C 1.244 177.633 176.300 0.148 0.000 1.101 170 D CA 0.173 54.281 54.000 0.179 0.000 0.837 170 D CB -0.293 40.632 40.800 0.209 0.000 0.938 170 D HN 0.337 nan 8.370 nan 0.000 0.508 171 G N -0.048 108.847 108.800 0.159 0.000 2.212 171 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.266 171 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.266 171 G C 0.358 175.306 174.900 0.080 0.000 0.978 171 G CA 0.475 45.644 45.100 0.116 0.000 0.632 171 G HN 0.435 nan 8.290 nan 0.000 0.537 172 K N -0.639 119.785 120.400 0.040 0.000 2.090 172 K HA 0.617 4.937 4.320 -0.000 0.000 0.250 172 K C -0.029 176.389 176.600 -0.304 0.000 1.004 172 K CA -0.979 55.255 56.287 -0.090 0.000 0.919 172 K CB 0.376 32.804 32.500 -0.120 0.000 1.045 172 K HN 0.224 nan 8.250 nan 0.000 0.471 173 Y N 2.348 122.398 120.300 -0.416 0.000 2.377 173 Y HA 0.131 4.681 4.550 -0.000 0.000 0.330 173 Y C -0.372 175.050 175.900 -0.796 0.000 1.108 173 Y CA 0.461 58.283 58.100 -0.463 0.000 1.308 173 Y CB 0.345 38.669 38.460 -0.226 0.000 1.216 173 Y HN 0.480 nan 8.280 nan 0.000 0.518 174 H N 3.862 122.228 119.070 -1.173 0.000 2.865 174 H HA 0.591 5.147 4.556 -0.000 0.000 0.372 174 H C -1.249 173.338 175.328 -1.236 0.000 1.173 174 H CA -0.848 54.541 56.048 -1.099 0.000 1.147 174 H CB 1.871 31.036 29.762 -0.995 0.000 1.805 174 H HN 0.454 nan 8.280 nan 0.000 0.553 175 V N 1.933 121.507 119.914 -0.567 0.000 2.540 175 V HA 0.298 4.418 4.120 -0.000 0.000 0.302 175 V C -0.309 175.703 176.094 -0.136 0.000 1.035 175 V CA -0.759 61.345 62.300 -0.326 0.000 0.873 175 V CB 2.293 33.989 31.823 -0.213 0.000 0.992 175 V HN 0.444 nan 8.190 nan 0.000 0.428 176 V N 6.582 126.508 119.914 0.021 0.000 2.604 176 V HA 0.683 4.803 4.120 -0.000 0.000 0.305 176 V C -0.578 175.550 176.094 0.056 0.000 1.043 176 V CA -0.540 61.791 62.300 0.053 0.000 0.888 176 V CB 1.974 33.880 31.823 0.139 0.000 0.995 176 V HN 0.940 nan 8.190 nan 0.000 0.429 177 R N 5.630 126.156 120.500 0.044 0.000 2.480 177 R HA 0.548 4.888 4.340 -0.000 0.000 0.306 177 R C -1.662 174.706 176.300 0.114 0.000 0.958 177 R CA -0.413 55.725 56.100 0.063 0.000 0.861 177 R CB 2.398 32.698 30.300 -0.000 0.000 1.171 177 R HN 0.675 nan 8.270 nan 0.000 0.445 178 F N 1.055 121.001 119.950 -0.006 0.000 2.520 178 F HA 0.539 5.066 4.527 -0.000 0.000 0.322 178 F C -0.961 174.820 175.800 -0.032 0.000 1.103 178 F CA -0.297 57.688 58.000 -0.025 0.000 0.926 178 F CB 2.456 41.438 39.000 -0.029 0.000 1.154 178 F HN 0.284 nan 8.300 nan 0.000 0.453 179 T N 6.082 119.942 114.554 -1.156 0.000 2.916 179 T HA 0.466 4.816 4.350 -0.000 0.000 0.298 179 T C -1.488 172.507 174.700 -1.174 0.000 1.031 179 T CA -0.700 60.872 62.100 -0.880 0.000 0.993 179 T CB 1.570 70.183 68.868 -0.427 0.000 1.045 179 T HN 0.729 nan 8.240 nan 0.000 0.454 180 R N 1.792 121.839 120.500 -0.755 0.000 2.532 180 R HA 0.623 4.963 4.340 -0.000 0.000 0.297 180 R C -1.300 174.829 176.300 -0.286 0.000 0.984 180 R CA -0.472 55.295 56.100 -0.555 0.000 0.884 180 R CB 1.383 31.370 30.300 -0.521 0.000 1.182 180 R HN 0.588 nan 8.270 nan 0.000 0.442 181 S N 3.328 118.904 115.700 -0.206 0.000 2.718 181 S HA 0.524 4.994 4.470 -0.000 0.000 0.294 181 S C 0.444 175.010 174.600 -0.056 0.000 1.157 181 S CA 0.505 58.641 58.200 -0.107 0.000 1.121 181 S CB 0.831 63.983 63.200 -0.081 0.000 1.015 181 S HN 1.063 nan 8.310 nan 0.000 0.479 182 G N 4.474 113.256 108.800 -0.031 0.000 2.565 182 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.295 182 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.295 182 G C 0.885 175.812 174.900 0.044 0.000 1.165 182 G CA 0.271 45.380 45.100 0.014 0.000 0.977 182 G HN 1.566 nan 8.290 nan 0.000 0.546 183 G N 0.633 109.475 108.800 0.070 0.000 3.088 183 G HA2 0.349 4.309 3.960 -0.000 0.000 0.217 183 G HA3 0.349 4.309 3.960 -0.000 0.000 0.217 183 G C 0.462 175.430 174.900 0.114 0.000 1.159 183 G CA 0.775 45.950 45.100 0.126 0.000 0.760 183 G HN 0.651 nan 8.290 nan 0.000 0.550 184 N N 0.995 119.703 118.700 0.013 0.000 2.524 184 N HA 0.631 5.371 4.740 -0.000 0.000 0.283 184 N C -0.239 175.164 175.510 -0.178 0.000 1.142 184 N CA -0.034 52.933 53.050 -0.137 0.000 0.984 184 N CB 1.898 40.267 38.487 -0.196 0.000 1.155 184 N HN 0.181 nan 8.380 nan 0.000 0.467 185 A N 0.383 123.067 122.820 -0.225 0.000 2.515 185 A HA 0.825 5.144 4.320 -0.000 0.000 0.296 185 A C -0.661 176.764 177.584 -0.265 0.000 1.094 185 A CA -0.517 51.387 52.037 -0.223 0.000 0.718 185 A CB 1.558 20.669 19.000 0.186 0.000 1.307 185 A HN 0.461 nan 8.150 nan 0.000 0.408 186 T N 0.505 114.866 114.554 -0.321 0.000 2.933 186 T HA 0.612 4.962 4.350 -0.000 0.000 0.305 186 T C -1.725 172.914 174.700 -0.101 0.000 1.092 186 T CA -0.199 61.779 62.100 -0.202 0.000 1.008 186 T CB 1.245 69.974 68.868 -0.231 0.000 1.102 186 T HN 0.886 nan 8.240 nan 0.000 0.469 187 L N 3.041 124.276 121.223 0.020 0.000 2.445 187 L HA 0.736 5.076 4.340 -0.000 0.000 0.262 187 L C -1.302 175.601 176.870 0.055 0.000 0.974 187 L CA -0.234 54.662 54.840 0.095 0.000 0.822 187 L CB 2.201 44.357 42.059 0.161 0.000 1.339 187 L HN 0.706 nan 8.230 nan 0.000 0.409 188 Q N 3.295 123.115 119.800 0.035 0.000 2.268 188 Q HA 0.648 4.988 4.340 -0.000 0.000 0.266 188 Q C -2.163 173.794 176.000 -0.071 0.000 1.006 188 Q CA -0.677 55.126 55.803 -0.000 0.000 0.824 188 Q CB 2.356 31.086 28.738 -0.013 0.000 1.306 188 Q HN 0.533 nan 8.270 nan 0.000 0.424 189 V N 4.731 124.542 119.914 -0.173 0.000 2.427 189 V HA 0.264 4.384 4.120 -0.000 0.000 0.286 189 V C 0.250 175.926 176.094 -0.696 0.000 1.034 189 V CA -0.061 61.977 62.300 -0.437 0.000 0.893 189 V CB 1.407 32.835 31.823 -0.659 0.000 0.982 189 V HN 1.069 nan 8.190 nan 0.000 0.452 190 D N 3.354 123.423 120.400 -0.552 0.000 3.750 190 D HA -0.271 4.369 4.640 -0.000 0.000 0.149 190 D C 1.139 177.268 176.300 -0.286 0.000 0.867 190 D CA 1.973 55.704 54.000 -0.449 0.000 1.010 190 D CB -0.676 39.767 40.800 -0.596 0.000 0.462 190 D HN 0.628 nan 8.370 nan 0.000 0.436 191 S N -0.408 115.170 115.700 -0.202 0.000 2.663 191 S HA 0.122 4.592 4.470 -0.000 0.000 0.243 191 S C -0.212 174.513 174.600 0.209 0.000 1.009 191 S CA -0.649 57.565 58.200 0.023 0.000 0.988 191 S CB 0.182 63.430 63.200 0.081 0.000 0.896 191 S HN 0.216 nan 8.310 nan 0.000 0.502 192 W N 3.176 124.488 121.300 0.019 0.000 2.079 192 W HA 0.303 4.963 4.660 0.000 0.000 0.354 192 W C -2.608 173.922 176.519 0.018 0.000 1.302 192 W CA -2.798 54.557 57.345 0.018 0.000 1.281 192 W CB -1.335 28.134 29.460 0.016 0.000 1.165 192 W HN 0.020 nan 8.180 nan 0.000 0.603 193 P HA 0.055 nan 4.420 nan 0.000 0.271 193 P C -0.312 177.068 177.300 0.133 0.000 1.218 193 P CA -0.289 62.901 63.100 0.150 0.000 0.780 193 P CB 0.363 32.129 31.700 0.110 0.000 0.901 194 V N 3.828 123.794 119.914 0.088 0.000 2.763 194 V HA -0.006 4.114 4.120 -0.000 0.000 0.306 194 V C 0.801 176.939 176.094 0.073 0.000 1.059 194 V CA 0.503 62.842 62.300 0.066 0.000 1.138 194 V CB -0.270 31.577 31.823 0.039 0.000 0.940 194 V HN 0.352 nan 8.190 nan 0.000 0.489 195 I N 4.512 125.122 120.570 0.067 0.000 2.359 195 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 195 I C 0.083 176.221 176.117 0.035 0.000 0.987 195 I CA -0.278 61.063 61.300 0.069 0.000 1.225 195 I CB 1.256 39.306 38.000 0.084 0.000 1.366 195 I HN 0.670 nan 8.210 nan 0.000 0.466 196 E N 6.222 126.447 120.200 0.042 0.000 2.222 196 E HA 0.548 4.898 4.350 -0.000 0.000 0.267 196 E C -0.877 175.686 176.600 -0.062 0.000 0.884 196 E CA -1.007 55.373 56.400 -0.032 0.000 0.764 196 E CB 3.014 32.780 29.700 0.111 0.000 1.169 196 E HN 0.401 nan 8.360 nan 0.000 0.413 197 R N 3.037 123.373 120.500 -0.273 0.000 2.483 197 R HA 0.310 4.650 4.340 -0.000 0.000 0.303 197 R C -1.727 174.358 176.300 -0.357 0.000 0.987 197 R CA -0.541 55.465 56.100 -0.156 0.000 0.881 197 R CB 0.838 31.119 30.300 -0.031 0.000 1.177 197 R HN 0.525 nan 8.270 nan 0.000 0.451 198 Y N 4.456 124.780 120.300 0.042 0.000 2.335 198 Y HA 0.412 4.962 4.550 -0.000 0.000 0.338 198 Y C -1.498 174.421 175.900 0.031 0.000 0.977 198 Y CA -1.945 56.176 58.100 0.035 0.000 1.114 198 Y CB 1.234 39.708 38.460 0.022 0.000 1.182 198 Y HN 0.505 nan 8.280 nan 0.000 0.463 199 P HA 0.573 nan 4.420 nan 0.000 0.279 199 P C -0.873 176.480 177.300 0.088 0.000 1.276 199 P CA -0.429 62.724 63.100 0.089 0.000 0.801 199 P CB 1.527 33.264 31.700 0.061 0.000 1.127 232 R N -0.205 120.306 120.500 0.019 0.000 2.531 232 R HA 0.609 4.949 4.340 -0.000 0.000 0.273 232 R C -0.909 175.405 176.300 0.024 0.000 1.070 232 R CA -0.317 55.795 56.100 0.020 0.000 1.112 232 R CB 1.176 31.485 30.300 0.016 0.000 1.049 232 R HN 0.378 nan 8.270 nan 0.000 0.508 233 Q N 1.580 121.397 119.800 0.029 0.000 2.285 233 Q HA 0.342 4.682 4.340 -0.000 0.000 0.269 233 Q C -1.082 174.940 176.000 0.037 0.000 1.030 233 Q CA -0.417 55.407 55.803 0.035 0.000 0.788 233 Q CB 1.773 30.539 28.738 0.048 0.000 1.266 233 Q HN 0.474 nan 8.270 nan 0.000 0.438 234 L N 1.432 122.677 121.223 0.036 0.000 2.467 234 L HA 0.261 4.601 4.340 -0.000 0.000 0.270 234 L C 0.724 177.628 176.870 0.056 0.000 1.205 234 L CA 0.332 55.197 54.840 0.041 0.000 0.828 234 L CB 0.631 42.714 42.059 0.040 0.000 1.101 234 L HN 0.739 nan 8.230 nan 0.000 0.479 235 T N 1.572 116.159 114.554 0.054 0.000 2.975 235 T HA 0.376 4.726 4.350 -0.000 0.000 0.261 235 T C 0.304 175.043 174.700 0.066 0.000 0.984 235 T CA -0.091 62.043 62.100 0.056 0.000 0.911 235 T CB 0.197 69.088 68.868 0.039 0.000 1.127 235 T HN 0.234 nan 8.240 nan 0.000 0.514 236 I N 1.829 122.447 120.570 0.080 0.000 2.404 236 I HA 0.405 4.575 4.170 -0.000 0.000 0.293 236 I C -0.948 175.286 176.117 0.195 0.000 0.992 236 I CA -1.092 60.272 61.300 0.106 0.000 1.149 236 I CB 1.477 39.517 38.000 0.068 0.000 1.315 236 I HN 0.042 nan 8.210 nan 0.000 0.446 237 F N 6.709 126.661 119.950 0.005 0.000 2.368 237 F HA 0.380 4.907 4.527 0.000 0.000 0.362 237 F C -0.119 175.674 175.800 -0.011 0.000 1.137 237 F CA -1.378 56.631 58.000 0.015 0.000 1.161 237 F CB -0.332 38.684 39.000 0.026 0.000 1.265 237 F HN 0.429 nan 8.300 nan 0.000 0.530 238 N N 2.846 121.698 118.700 0.254 0.000 2.529 238 N HA 0.159 4.899 4.740 -0.000 0.000 0.278 238 N C 0.170 175.614 175.510 -0.110 0.000 1.146 238 N CA -0.066 52.999 53.050 0.025 0.000 0.980 238 N CB 0.948 39.471 38.487 0.060 0.000 1.124 238 N HN 0.559 nan 8.380 nan 0.000 0.458 239 S N 0.405 115.994 115.700 -0.185 0.000 3.405 239 S HA -0.240 4.230 4.470 -0.000 0.000 0.373 239 S C -0.481 173.936 174.600 -0.305 0.000 0.939 239 S CA 0.138 58.209 58.200 -0.215 0.000 1.295 239 S CB -1.210 61.933 63.200 -0.095 0.000 0.919 239 S HN 0.536 nan 8.310 nan 0.000 0.535 240 Q N 0.957 120.416 119.800 -0.568 0.000 2.289 240 Q HA 0.410 4.750 4.340 -0.000 0.000 0.273 240 Q C 1.122 176.911 176.000 -0.352 0.000 1.029 240 Q CA 0.575 56.001 55.803 -0.628 0.000 0.896 240 Q CB 0.803 28.946 28.738 -0.991 0.000 1.182 240 Q HN 0.634 nan 8.270 nan 0.000 0.385 241 A N 2.622 125.480 122.820 0.062 0.000 2.070 241 A HA 0.158 4.478 4.320 -0.000 0.000 0.202 241 A C 0.516 178.366 177.584 0.444 0.000 1.277 241 A CA 0.817 53.009 52.037 0.259 0.000 0.872 241 A CB 0.721 19.792 19.000 0.118 0.000 0.933 241 A HN 0.703 nan 8.150 nan 0.000 0.475 242 T N -2.149 112.642 114.554 0.394 0.000 2.894 242 T HA 0.691 5.041 4.350 -0.000 0.000 0.309 242 T C -1.060 173.767 174.700 0.212 0.000 1.208 242 T CA -0.433 61.813 62.100 0.244 0.000 1.016 242 T CB 1.315 70.250 68.868 0.111 0.000 1.192 242 T HN 0.155 nan 8.240 nan 0.000 0.491 243 I N 2.273 122.887 120.570 0.073 0.000 2.382 243 I HA 0.464 4.634 4.170 -0.000 0.000 0.286 243 I C -0.690 175.417 176.117 -0.016 0.000 1.002 243 I CA -0.959 60.331 61.300 -0.016 0.000 1.135 243 I CB 1.486 39.401 38.000 -0.141 0.000 1.288 243 I HN 0.549 nan 8.210 nan 0.000 0.448 244 I N 7.351 127.909 120.570 -0.020 0.000 2.362 244 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 244 I C -0.475 175.615 176.117 -0.044 0.000 0.994 244 I CA -0.489 60.800 61.300 -0.017 0.000 1.158 244 I CB 1.665 39.664 38.000 -0.002 0.000 1.315 244 I HN 0.398 nan 8.210 nan 0.000 0.451 245 I N 5.333 125.884 120.570 -0.032 0.000 2.378 245 I HA 0.593 4.763 4.170 -0.000 0.000 0.291 245 I C 0.888 176.984 176.117 -0.036 0.000 0.992 245 I CA 0.051 61.310 61.300 -0.069 0.000 1.154 245 I CB 1.692 39.676 38.000 -0.027 0.000 1.315 245 I HN 0.863 nan 8.210 nan 0.000 0.448 246 G N 3.301 111.960 108.800 -0.235 0.000 2.545 246 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.195 246 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.195 246 G C 1.019 175.881 174.900 -0.064 0.000 1.009 246 G CA -0.152 44.813 45.100 -0.226 0.000 0.703 246 G HN 1.368 nan 8.290 nan 0.000 0.479 247 G N 0.480 109.254 108.800 -0.043 0.000 2.220 247 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.269 247 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.269 247 G C 1.147 176.059 174.900 0.021 0.000 0.977 247 G CA 1.768 46.863 45.100 -0.008 0.000 0.634 247 G HN 1.096 nan 8.290 nan 0.000 0.539 248 K N 0.423 120.852 120.400 0.048 0.000 2.032 248 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 248 K C 2.149 178.766 176.600 0.027 0.000 1.048 248 K CA 1.862 58.180 56.287 0.052 0.000 0.927 248 K CB -0.226 32.320 32.500 0.078 0.000 0.712 248 K HN 0.505 nan 8.250 nan 0.000 0.441 249 E N -0.141 120.071 120.200 0.020 0.000 2.265 249 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 249 E C 1.169 177.764 176.600 -0.008 0.000 0.996 249 E CA 0.929 57.332 56.400 0.006 0.000 0.832 249 E CB 0.264 29.967 29.700 0.005 0.000 0.756 249 E HN 0.279 nan 8.360 nan 0.000 0.491 250 Q N -1.260 118.533 119.800 -0.012 0.000 2.320 250 Q HA 0.199 4.538 4.340 -0.000 0.000 0.201 250 Q C 0.832 176.817 176.000 -0.024 0.000 0.910 250 Q CA 0.614 56.400 55.803 -0.029 0.000 0.946 250 Q CB 1.115 29.832 28.738 -0.036 0.000 1.062 250 Q HN 0.357 nan 8.270 nan 0.000 0.503 251 G N 0.452 109.247 108.800 -0.009 0.000 2.148 251 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 251 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 251 G C 0.050 174.950 174.900 -0.000 0.000 0.981 251 G CA 0.097 45.194 45.100 -0.006 0.000 0.670 251 G HN 0.384 nan 8.290 nan 0.000 0.528 252 Q N 0.030 119.834 119.800 0.006 0.000 3.300 252 Q HA 0.276 4.616 4.340 -0.000 0.000 0.271 252 Q C -2.791 173.229 176.000 0.034 0.000 0.926 252 Q CA -1.860 53.951 55.803 0.014 0.000 0.788 252 Q CB 1.984 30.727 28.738 0.007 0.000 1.385 252 Q HN 0.241 nan 8.270 nan 0.000 0.424 253 P HA -0.135 nan 4.420 nan 0.000 0.261 253 P C -0.809 176.535 177.300 0.074 0.000 1.173 253 P CA 0.283 63.423 63.100 0.068 0.000 0.760 253 P CB 0.228 31.966 31.700 0.063 0.000 0.783 254 F N 3.758 123.660 119.950 -0.081 0.000 2.384 254 F HA 0.295 4.822 4.527 -0.000 0.000 0.338 254 F C 0.196 175.992 175.800 -0.006 0.000 1.103 254 F CA 0.086 58.012 58.000 -0.122 0.000 1.157 254 F CB 0.922 39.715 39.000 -0.345 0.000 1.167 254 F HN 0.257 nan 8.300 nan 0.000 0.529 255 Q N 4.206 123.477 119.800 -0.882 0.000 2.292 255 Q HA 0.607 4.946 4.340 -0.000 0.000 0.270 255 Q C -0.296 175.214 176.000 -0.817 0.000 1.024 255 Q CA -0.521 54.978 55.803 -0.506 0.000 0.768 255 Q CB 1.953 30.546 28.738 -0.241 0.000 1.250 255 Q HN 1.102 nan 8.270 nan 0.000 0.447 256 G N 1.898 110.529 108.800 -0.281 0.000 2.278 256 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.265 256 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.265 256 G C -1.615 173.580 174.900 0.493 0.000 1.329 256 G CA -0.902 44.203 45.100 0.008 0.000 1.017 256 G HN 0.437 nan 8.290 nan 0.000 0.472 257 Q N -0.349 119.802 119.800 0.585 0.000 2.312 257 Q HA 0.738 5.078 4.340 -0.000 0.000 0.263 257 Q C -0.697 175.649 176.000 0.576 0.000 0.995 257 Q CA -0.557 55.587 55.803 0.568 0.000 0.853 257 Q CB 2.403 31.358 28.738 0.361 0.000 1.300 257 Q HN 0.455 nan 8.270 nan 0.000 0.448 258 L N 1.777 123.302 121.223 0.503 0.000 2.362 258 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 258 L C -0.526 176.545 176.870 0.334 0.000 0.998 258 L CA -0.580 54.446 54.840 0.310 0.000 0.820 258 L CB 1.902 44.058 42.059 0.163 0.000 1.270 258 L HN 0.740 nan 8.230 nan 0.000 0.415 259 S N -0.059 115.812 115.700 0.285 0.000 2.579 259 S HA 0.711 5.181 4.470 -0.000 0.000 0.272 259 S C 0.305 175.044 174.600 0.230 0.000 1.141 259 S CA -0.111 58.250 58.200 0.268 0.000 0.843 259 S CB 1.892 65.251 63.200 0.266 0.000 1.122 259 S HN 1.086 nan 8.310 nan 0.000 0.468 260 G N 0.269 109.189 108.800 0.201 0.000 2.305 260 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.287 260 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.287 260 G C -0.157 174.852 174.900 0.181 0.000 1.036 260 G CA 0.326 45.533 45.100 0.179 0.000 0.887 260 G HN 1.407 nan 8.290 nan 0.000 0.505 261 L N 0.432 121.753 121.223 0.163 0.000 2.462 261 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 261 L C -0.124 176.849 176.870 0.173 0.000 1.166 261 L CA -0.936 53.991 54.840 0.145 0.000 0.880 261 L CB 0.178 42.287 42.059 0.082 0.000 1.142 261 L HN 0.290 nan 8.230 nan 0.000 0.473 262 Y N 5.981 126.331 120.300 0.084 0.000 2.338 262 Y HA 0.446 4.996 4.550 -0.000 0.000 0.333 262 Y C -1.834 174.155 175.900 0.148 0.000 0.968 262 Y CA -0.855 57.293 58.100 0.080 0.000 1.123 262 Y CB 1.121 39.612 38.460 0.053 0.000 1.165 262 Y HN 0.632 nan 8.280 nan 0.000 0.452 263 Y N 6.932 126.957 120.300 -0.457 0.000 2.322 263 Y HA 0.341 4.891 4.550 -0.000 0.000 0.324 263 Y C -0.349 175.330 175.900 -0.367 0.000 1.027 263 Y CA -1.476 56.477 58.100 -0.245 0.000 1.179 263 Y CB 0.595 38.998 38.460 -0.096 0.000 1.136 263 Y HN 0.818 nan 8.280 nan 0.000 0.449 264 N N 4.511 122.727 118.700 -0.807 0.000 2.698 264 N HA -0.223 4.517 4.740 -0.000 0.000 0.258 264 N C 1.084 176.317 175.510 -0.462 0.000 0.978 264 N CA 1.898 54.614 53.050 -0.556 0.000 0.777 264 N CB -1.035 37.090 38.487 -0.603 0.000 0.907 264 N HN 1.349 nan 8.380 nan 0.000 0.543 265 G N -1.879 106.466 108.800 -0.759 0.000 2.268 265 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.240 265 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.240 265 G C 0.050 174.701 174.900 -0.416 0.000 1.010 265 G CA 0.265 45.109 45.100 -0.425 0.000 0.618 265 G HN 0.406 nan 8.290 nan 0.000 0.516 266 L N 1.062 122.010 121.223 -0.459 0.000 2.278 266 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 266 L C 0.514 177.202 176.870 -0.303 0.000 1.072 266 L CA -0.333 54.310 54.840 -0.328 0.000 0.819 266 L CB 1.204 43.044 42.059 -0.364 0.000 1.176 266 L HN 0.044 nan 8.230 nan 0.000 0.435 267 K N 2.803 123.109 120.400 -0.157 0.000 2.222 267 K HA 0.134 4.454 4.320 -0.000 0.000 0.243 267 K C 1.052 177.617 176.600 -0.058 0.000 1.160 267 K CA -0.314 55.951 56.287 -0.037 0.000 1.090 267 K CB 0.773 33.301 32.500 0.047 0.000 1.694 267 K HN 0.465 nan 8.250 nan 0.000 0.361 268 V N 2.044 121.895 119.914 -0.105 0.000 2.282 268 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 268 V C 2.005 178.083 176.094 -0.026 0.000 1.057 268 V CA 1.729 63.952 62.300 -0.128 0.000 1.032 268 V CB -0.524 31.199 31.823 -0.168 0.000 0.645 268 V HN 0.687 nan 8.190 nan 0.000 0.447 269 L N -0.072 121.180 121.223 0.047 0.000 2.083 269 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 269 L C 2.362 179.354 176.870 0.203 0.000 1.083 269 L CA 1.811 56.742 54.840 0.153 0.000 0.752 269 L CB -0.861 41.356 42.059 0.263 0.000 0.899 269 L HN 0.469 nan 8.230 nan 0.000 0.433 270 N N -0.049 118.726 118.700 0.124 0.000 2.120 270 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 270 N C 1.973 177.530 175.510 0.079 0.000 1.024 270 N CA 1.217 54.326 53.050 0.098 0.000 0.852 270 N CB -0.103 38.423 38.487 0.065 0.000 1.003 270 N HN 0.326 nan 8.380 nan 0.000 0.424 271 M N 0.695 120.321 119.600 0.044 0.000 2.117 271 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 271 M C 2.399 178.737 176.300 0.062 0.000 1.065 271 M CA 1.147 56.468 55.300 0.035 0.000 1.114 271 M CB -0.248 32.349 32.600 -0.005 0.000 1.361 271 M HN 0.193 nan 8.290 nan 0.000 0.408 272 A N 0.183 123.046 122.820 0.071 0.000 2.015 272 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 272 A C 2.184 179.875 177.584 0.177 0.000 1.163 272 A CA 1.683 53.764 52.037 0.074 0.000 0.646 272 A CB -0.653 18.314 19.000 -0.055 0.000 0.806 272 A HN 0.507 nan 8.150 nan 0.000 0.448 273 A N -0.814 122.133 122.820 0.212 0.000 2.251 273 A HA 0.206 4.526 4.320 -0.000 0.000 0.209 273 A C 0.969 178.602 177.584 0.081 0.000 1.187 273 A CA 0.416 52.552 52.037 0.164 0.000 0.823 273 A CB -0.069 19.005 19.000 0.124 0.000 0.846 273 A HN 0.523 nan 8.150 nan 0.000 0.486 274 E N -0.072 120.170 120.200 0.070 0.000 2.989 274 E HA 0.105 4.455 4.350 -0.000 0.000 0.207 274 E C -0.406 176.218 176.600 0.039 0.000 0.989 274 E CA -0.593 55.834 56.400 0.045 0.000 1.186 274 E CB -0.070 29.652 29.700 0.038 0.000 1.141 274 E HN 0.410 nan 8.360 nan 0.000 0.454 275 N N 2.675 121.401 118.700 0.043 0.000 2.714 275 N HA -0.198 4.541 4.740 -0.000 0.000 0.252 275 N C -0.846 174.679 175.510 0.027 0.000 1.014 275 N CA 0.539 53.609 53.050 0.032 0.000 0.735 275 N CB -0.738 37.763 38.487 0.023 0.000 0.924 275 N HN 0.372 nan 8.380 nan 0.000 0.540 276 D N -0.417 120.004 120.400 0.034 0.000 2.458 276 D HA 0.160 4.800 4.640 -0.000 0.000 0.243 276 D C 1.254 177.560 176.300 0.010 0.000 1.146 276 D CA 0.804 54.825 54.000 0.033 0.000 0.877 276 D CB 0.878 41.715 40.800 0.062 0.000 1.176 276 D HN 0.482 nan 8.370 nan 0.000 0.461 277 A N 4.695 127.516 122.820 0.001 0.000 2.015 277 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 277 A C 1.422 178.969 177.584 -0.061 0.000 1.163 277 A CA 0.847 52.871 52.037 -0.022 0.000 0.646 277 A CB -0.005 18.985 19.000 -0.016 0.000 0.806 277 A HN 0.631 nan 8.150 nan 0.000 0.448 278 N N -0.246 118.396 118.700 -0.097 0.000 2.276 278 N HA 0.249 4.989 4.740 -0.000 0.000 0.212 278 N C -0.462 174.892 175.510 -0.259 0.000 1.127 278 N CA 0.261 53.167 53.050 -0.240 0.000 0.834 278 N CB 0.591 38.813 38.487 -0.441 0.000 1.014 278 N HN 0.416 nan 8.380 nan 0.000 0.491 279 I N 0.735 121.243 120.570 -0.103 0.000 2.474 279 I HA 0.482 4.652 4.170 -0.000 0.000 0.294 279 I C -0.507 175.577 176.117 -0.055 0.000 1.005 279 I CA -0.887 60.378 61.300 -0.059 0.000 1.113 279 I CB 2.020 40.029 38.000 0.014 0.000 1.289 279 I HN -0.127 nan 8.210 nan 0.000 0.436 280 A N 7.674 130.460 122.820 -0.056 0.000 2.343 280 A HA 0.792 5.112 4.320 -0.000 0.000 0.308 280 A C -0.877 176.681 177.584 -0.042 0.000 1.092 280 A CA -0.469 51.542 52.037 -0.044 0.000 0.751 280 A CB 1.096 20.069 19.000 -0.044 0.000 1.203 280 A HN 0.618 nan 8.150 nan 0.000 0.452 281 I N 2.313 122.862 120.570 -0.036 0.000 2.441 281 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 281 I C -0.779 175.323 176.117 -0.024 0.000 0.994 281 I CA -0.940 60.332 61.300 -0.046 0.000 1.144 281 I CB 1.912 39.883 38.000 -0.048 0.000 1.314 281 I HN 0.344 nan 8.210 nan 0.000 0.445 282 V N 3.720 123.623 119.914 -0.018 0.000 3.012 282 V HA 0.826 4.946 4.120 -0.000 0.000 0.307 282 V C 0.320 176.419 176.094 0.008 0.000 1.166 282 V CA 0.123 62.423 62.300 -0.001 0.000 0.974 282 V CB 1.818 33.645 31.823 0.007 0.000 1.040 282 V HN 1.115 nan 8.190 nan 0.000 0.428 283 G N 3.505 112.311 108.800 0.011 0.000 2.593 283 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.237 283 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.237 283 G C -0.038 174.866 174.900 0.007 0.000 1.312 283 G CA 0.224 45.336 45.100 0.020 0.000 0.896 283 G HN 0.893 nan 8.290 nan 0.000 0.574 284 N N 0.607 119.320 118.700 0.022 0.000 2.971 284 N HA 0.404 5.144 4.740 -0.000 0.000 0.294 284 N C -0.326 175.156 175.510 -0.046 0.000 1.210 284 N CA 0.410 53.464 53.050 0.007 0.000 1.157 284 N CB -0.293 38.214 38.487 0.034 0.000 1.450 284 N HN 0.700 nan 8.380 nan 0.000 0.527 285 V N 2.635 122.484 119.914 -0.109 0.000 2.709 285 V HA 0.595 4.715 4.120 -0.000 0.000 0.308 285 V C -0.167 175.877 176.094 -0.084 0.000 1.062 285 V CA -0.997 61.148 62.300 -0.259 0.000 0.901 285 V CB 2.244 33.815 31.823 -0.421 0.000 1.003 285 V HN 0.471 nan 8.190 nan 0.000 0.425 286 R N 3.305 123.790 120.500 -0.026 0.000 2.668 286 R HA 0.724 5.064 4.340 -0.000 0.000 0.272 286 R C -1.691 174.567 176.300 -0.070 0.000 1.019 286 R CA -0.922 55.190 56.100 0.021 0.000 0.894 286 R CB 1.963 32.248 30.300 -0.025 0.000 1.228 286 R HN 0.532 nan 8.270 nan 0.000 0.460 287 L N 1.786 122.864 121.223 -0.241 0.000 2.439 287 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 287 L C -0.911 175.746 176.870 -0.355 0.000 1.179 287 L CA 0.184 54.618 54.840 -0.675 0.000 0.828 287 L CB 1.381 43.124 42.059 -0.526 0.000 1.106 287 L HN 0.546 nan 8.230 nan 0.000 0.467 288 V N 3.358 123.063 119.914 -0.349 0.000 3.049 288 V HA 0.720 4.840 4.120 -0.000 0.000 0.309 288 V C 0.389 176.394 176.094 -0.148 0.000 1.148 288 V CA -0.266 61.925 62.300 -0.182 0.000 0.990 288 V CB 1.766 33.519 31.823 -0.116 0.000 1.039 288 V HN 1.002 nan 8.190 nan 0.000 0.430 289 G N 0.000 108.735 108.800 -0.108 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 45.042 45.100 -0.096 0.000 0.502 289 G HN 0.000 nan 8.290 nan 0.000 0.925