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 3biw_1_G 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 VGNVRLV 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 0.000 175.388 175.328 0.099 0.000 0.993 82 H CA 0.000 55.952 56.048 -0.160 0.000 1.023 82 H CB 0.000 29.612 29.762 -0.250 0.000 1.292 83 A N 2.672 125.682 122.820 0.317 0.000 2.437 83 A HA 0.570 4.890 4.320 -0.000 0.000 0.303 83 A C 1.297 178.953 177.584 0.120 0.000 1.324 83 A CA 1.034 53.198 52.037 0.213 0.000 0.983 83 A CB -0.664 18.475 19.000 0.231 0.000 1.142 83 A HN 1.263 nan 8.150 nan 0.000 0.541 84 G N 2.381 111.237 108.800 0.092 0.000 2.566 84 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.280 84 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.280 84 G C 0.385 175.309 174.900 0.041 0.000 1.225 84 G CA 0.063 45.200 45.100 0.062 0.000 0.966 84 G HN 1.399 nan 8.290 nan 0.000 0.560 85 T N 1.859 116.441 114.554 0.046 0.000 2.750 85 T HA 0.431 4.781 4.350 -0.000 0.000 0.277 85 T C 0.398 175.125 174.700 0.044 0.000 0.996 85 T CA 1.400 63.529 62.100 0.048 0.000 1.195 85 T CB 0.047 68.983 68.868 0.114 0.000 0.963 85 T HN 0.799 nan 8.240 nan 0.000 0.516 86 T N 3.686 118.223 114.554 -0.029 0.000 2.841 86 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 86 T C -1.046 173.606 174.700 -0.081 0.000 1.000 86 T CA -0.477 61.589 62.100 -0.058 0.000 0.977 86 T CB 0.857 69.655 68.868 -0.117 0.000 0.979 86 T HN 0.430 nan 8.240 nan 0.000 0.446 87 Y N 1.488 121.781 120.300 -0.011 0.000 2.409 87 Y HA 0.605 5.155 4.550 -0.000 0.000 0.343 87 Y C -0.016 175.902 175.900 0.030 0.000 0.973 87 Y CA -1.094 56.994 58.100 -0.021 0.000 1.064 87 Y CB 1.360 39.811 38.460 -0.016 0.000 1.207 87 Y HN 0.481 nan 8.280 nan 0.000 0.452 88 I N 4.521 125.094 120.570 0.005 0.000 2.339 88 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 88 I C -1.222 174.834 176.117 -0.102 0.000 0.994 88 I CA -0.571 60.752 61.300 0.039 0.000 1.191 88 I CB 0.765 38.763 38.000 -0.003 0.000 1.343 88 I HN 0.407 nan 8.210 nan 0.000 0.458 89 F N 4.597 124.580 119.950 0.054 0.000 2.385 89 F HA 0.347 4.874 4.527 -0.000 0.000 0.360 89 F C 0.814 176.581 175.800 -0.056 0.000 1.122 89 F CA -0.170 57.839 58.000 0.016 0.000 1.090 89 F CB 1.189 40.202 39.000 0.021 0.000 1.150 89 F HN 0.360 nan 8.300 nan 0.000 0.472 90 S N 2.067 117.812 115.700 0.076 0.000 2.666 90 S HA 0.416 4.886 4.470 -0.000 0.000 0.279 90 S C -0.095 174.530 174.600 0.041 0.000 1.149 90 S CA -1.185 57.035 58.200 0.033 0.000 1.020 90 S CB 0.746 63.950 63.200 0.008 0.000 1.127 90 S HN 0.427 nan 8.310 nan 0.000 0.537 91 K N 0.373 120.785 120.400 0.020 0.000 2.414 91 K HA 0.359 4.679 4.320 -0.000 0.000 0.272 91 K C 1.087 177.705 176.600 0.031 0.000 0.993 91 K CA 0.850 57.149 56.287 0.020 0.000 0.964 91 K CB 0.039 32.545 32.500 0.010 0.000 0.925 91 K HN 0.938 nan 8.250 nan 0.000 0.487 92 G N 1.195 110.016 108.800 0.036 0.000 2.194 92 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.236 92 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.236 92 G C 0.511 175.450 174.900 0.065 0.000 0.987 92 G CA 0.076 45.200 45.100 0.040 0.000 0.635 92 G HN 1.201 nan 8.290 nan 0.000 0.520 93 G N -1.010 107.845 108.800 0.093 0.000 2.960 93 G HA2 0.452 4.412 3.960 -0.000 0.000 0.267 93 G HA3 0.452 4.412 3.960 -0.000 0.000 0.267 93 G C 0.808 175.830 174.900 0.202 0.000 1.492 93 G CA 0.789 45.987 45.100 0.163 0.000 0.953 93 G HN 2.275 nan 8.290 nan 0.000 0.555 94 G N -1.647 107.361 108.800 0.347 0.000 2.749 94 G HA2 0.843 4.803 3.960 -0.000 0.000 0.300 94 G HA3 0.843 4.803 3.960 -0.000 0.000 0.300 94 G C -0.898 174.217 174.900 0.358 0.000 1.352 94 G CA 0.641 45.923 45.100 0.304 0.000 0.789 94 G HN 1.321 nan 8.290 nan 0.000 0.509 95 Q N -0.414 119.554 119.800 0.279 0.000 2.520 95 Q HA 0.355 4.695 4.340 -0.000 0.000 0.237 95 Q C -1.853 174.217 176.000 0.116 0.000 0.875 95 Q CA -0.468 55.462 55.803 0.211 0.000 1.028 95 Q CB 1.534 30.337 28.738 0.109 0.000 1.534 95 Q HN 0.532 nan 8.270 nan 0.000 0.471 96 I N 3.237 123.869 120.570 0.104 0.000 2.321 96 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 96 I C -0.491 175.618 176.117 -0.013 0.000 0.998 96 I CA -0.422 60.874 61.300 -0.007 0.000 1.227 96 I CB 1.946 39.883 38.000 -0.104 0.000 1.368 96 I HN 0.515 nan 8.210 nan 0.000 0.466 97 T N 5.351 119.894 114.554 -0.018 0.000 2.840 97 T HA 0.277 4.627 4.350 -0.000 0.000 0.287 97 T C -0.936 173.755 174.700 -0.016 0.000 0.991 97 T CA -0.463 61.624 62.100 -0.021 0.000 0.964 97 T CB 0.878 69.732 68.868 -0.024 0.000 0.954 97 T HN 0.264 nan 8.240 nan 0.000 0.438 98 Y N 3.051 123.236 120.300 -0.192 0.000 2.326 98 Y HA 0.515 5.065 4.550 -0.000 0.000 0.337 98 Y C 0.065 175.805 175.900 -0.267 0.000 1.023 98 Y CA -0.984 56.953 58.100 -0.272 0.000 1.143 98 Y CB 0.811 39.021 38.460 -0.416 0.000 1.183 98 Y HN 0.457 nan 8.280 nan 0.000 0.485 99 K N 7.304 127.277 120.400 -0.712 0.000 2.464 99 K HA 0.166 4.486 4.320 -0.000 0.000 0.252 99 K C -0.979 175.254 176.600 -0.612 0.000 1.000 99 K CA -0.559 55.446 56.287 -0.469 0.000 0.951 99 K CB 0.511 32.872 32.500 -0.233 0.000 1.183 99 K HN 0.656 nan 8.250 nan 0.000 0.445 100 W N 5.369 126.366 121.300 -0.505 0.000 2.257 100 W HA 0.019 4.679 4.660 -0.000 0.000 0.337 100 W C -1.912 174.481 176.519 -0.210 0.000 1.321 100 W CA -1.489 55.651 57.345 -0.343 0.000 1.267 100 W CB 0.364 29.753 29.460 -0.118 0.000 1.187 100 W HN 0.415 nan 8.180 nan 0.000 0.565 101 P HA 0.006 nan 4.420 nan 0.000 0.266 101 P C -1.949 175.385 177.300 0.057 0.000 1.215 101 P CA -0.584 62.542 63.100 0.045 0.000 0.763 101 P CB 0.635 32.363 31.700 0.048 0.000 0.806 102 P HA -0.303 nan 4.420 nan 0.000 0.220 102 P C 0.894 178.193 177.300 -0.002 0.000 0.885 102 P CA 1.857 64.963 63.100 0.010 0.000 1.045 102 P CB -0.501 31.201 31.700 0.003 0.000 0.724 103 N N -0.341 118.358 118.700 -0.001 0.000 2.586 103 N HA -0.077 4.663 4.740 -0.000 0.000 0.206 103 N C -0.032 175.468 175.510 -0.017 0.000 1.377 103 N CA 0.833 53.876 53.050 -0.012 0.000 0.871 103 N CB -0.408 38.076 38.487 -0.004 0.000 1.107 103 N HN 0.328 nan 8.380 nan 0.000 0.462 104 D N -0.230 120.157 120.400 -0.021 0.000 2.530 104 D HA 0.078 4.718 4.640 -0.000 0.000 0.253 104 D C -0.100 176.084 176.300 -0.194 0.000 1.338 104 D CA -0.209 53.767 54.000 -0.041 0.000 0.806 104 D CB 0.624 41.467 40.800 0.071 0.000 1.160 104 D HN 0.095 nan 8.370 nan 0.000 0.514 105 R N 2.565 122.934 120.500 -0.219 0.000 2.399 105 R HA 0.183 4.523 4.340 -0.000 0.000 0.324 105 R C -2.131 173.883 176.300 -0.476 0.000 1.030 105 R CA -0.728 55.110 56.100 -0.437 0.000 0.984 105 R CB 0.336 30.495 30.300 -0.235 0.000 0.961 105 R HN 0.078 nan 8.270 nan 0.000 0.433 106 P HA 0.109 nan 4.420 nan 0.000 0.276 106 P C -0.689 176.365 177.300 -0.410 0.000 1.252 106 P CA -0.377 62.436 63.100 -0.479 0.000 0.802 106 P CB 1.345 32.740 31.700 -0.508 0.000 1.035 107 S N -0.413 115.134 115.700 -0.254 0.000 2.566 107 S HA 0.736 5.206 4.470 -0.000 0.000 0.298 107 S C -0.391 174.136 174.600 -0.121 0.000 1.083 107 S CA -0.359 57.739 58.200 -0.169 0.000 0.978 107 S CB 1.555 64.698 63.200 -0.094 0.000 1.073 107 S HN 0.741 nan 8.310 nan 0.000 0.491 108 T N -1.147 113.382 114.554 -0.041 0.000 2.923 108 T HA 0.496 4.846 4.350 -0.000 0.000 0.311 108 T C 0.173 174.891 174.700 0.030 0.000 1.183 108 T CA -0.897 61.192 62.100 -0.019 0.000 1.020 108 T CB 1.834 70.683 68.868 -0.031 0.000 1.165 108 T HN 0.547 nan 8.240 nan 0.000 0.482 109 R N 1.038 121.534 120.500 -0.005 0.000 2.156 109 R HA 0.584 4.924 4.340 -0.000 0.000 0.207 109 R C 0.604 176.884 176.300 -0.033 0.000 1.040 109 R CA 0.524 56.618 56.100 -0.010 0.000 1.013 109 R CB 0.013 30.299 30.300 -0.023 0.000 0.931 109 R HN 0.850 nan 8.270 nan 0.000 0.465 110 A N 0.441 123.234 122.820 -0.046 0.000 2.380 110 A HA 0.569 4.889 4.320 -0.000 0.000 0.315 110 A C -1.653 175.889 177.584 -0.071 0.000 1.101 110 A CA -0.835 51.156 52.037 -0.078 0.000 0.771 110 A CB 1.477 20.428 19.000 -0.081 0.000 1.287 110 A HN 0.268 nan 8.150 nan 0.000 0.436 111 D N 0.851 121.194 120.400 -0.095 0.000 2.934 111 D HA 0.410 5.050 4.640 -0.000 0.000 0.230 111 D C -1.051 175.211 176.300 -0.064 0.000 1.204 111 D CA -0.472 53.495 54.000 -0.055 0.000 0.873 111 D CB 1.805 42.683 40.800 0.129 0.000 1.645 111 D HN 0.373 nan 8.370 nan 0.000 0.502 112 R N 1.741 122.216 120.500 -0.042 0.000 2.388 112 R HA 0.488 4.828 4.340 -0.000 0.000 0.314 112 R C -0.952 175.459 176.300 0.186 0.000 0.959 112 R CA -0.907 55.237 56.100 0.073 0.000 0.851 112 R CB 1.492 31.887 30.300 0.157 0.000 1.168 112 R HN 0.333 nan 8.270 nan 0.000 0.472 113 L N 1.672 123.094 121.223 0.331 0.000 2.385 113 L HA 0.844 5.184 4.340 -0.000 0.000 0.273 113 L C -1.300 175.789 176.870 0.365 0.000 0.990 113 L CA -0.485 54.609 54.840 0.424 0.000 0.821 113 L CB 2.070 44.438 42.059 0.514 0.000 1.279 113 L HN 0.748 nan 8.230 nan 0.000 0.412 114 A N 5.650 128.677 122.820 0.346 0.000 2.520 114 A HA 0.870 5.190 4.320 -0.000 0.000 0.298 114 A C -1.615 176.124 177.584 0.258 0.000 1.051 114 A CA -0.419 51.789 52.037 0.285 0.000 0.690 114 A CB 1.269 20.422 19.000 0.254 0.000 1.281 114 A HN 0.898 nan 8.150 nan 0.000 0.402 115 I N 0.464 121.183 120.570 0.249 0.000 2.908 115 I HA 0.671 4.841 4.170 -0.000 0.000 0.300 115 I C -0.311 176.018 176.117 0.354 0.000 1.385 115 I CA -0.549 60.899 61.300 0.247 0.000 1.004 115 I CB 2.283 40.382 38.000 0.165 0.000 1.309 115 I HN 0.942 nan 8.210 nan 0.000 0.449 116 G N 4.865 113.881 108.800 0.359 0.000 2.478 116 G HA2 0.650 4.610 3.960 -0.000 0.000 0.317 116 G HA3 0.650 4.610 3.960 -0.000 0.000 0.317 116 G C -1.260 173.892 174.900 0.420 0.000 1.259 116 G CA -0.450 44.942 45.100 0.487 0.000 0.933 116 G HN 0.580 nan 8.290 nan 0.000 0.478 117 F N 0.505 120.664 119.950 0.348 0.000 2.782 117 F HA 0.884 5.411 4.527 -0.000 0.000 0.366 117 F C -0.096 175.950 175.800 0.410 0.000 1.171 117 F CA -1.260 56.934 58.000 0.324 0.000 1.064 117 F CB 2.030 41.164 39.000 0.224 0.000 1.449 117 F HN 0.624 nan 8.300 nan 0.000 0.520 118 S N -0.070 115.967 115.700 0.561 0.000 2.561 118 S HA 0.538 5.008 4.470 -0.000 0.000 0.292 118 S C -1.132 173.735 174.600 0.444 0.000 1.107 118 S CA -0.307 58.094 58.200 0.336 0.000 0.969 118 S CB 0.688 63.966 63.200 0.131 0.000 1.150 118 S HN 1.199 nan 8.310 nan 0.000 0.451 119 T N 0.628 115.440 114.554 0.431 0.000 2.830 119 T HA 0.553 4.903 4.350 -0.000 0.000 0.322 119 T C -0.818 174.014 174.700 0.220 0.000 1.501 119 T CA -0.042 62.229 62.100 0.286 0.000 1.036 119 T CB 1.549 70.645 68.868 0.379 0.000 1.379 119 T HN 1.787 nan 8.240 nan 0.000 0.493 120 V N 1.252 121.236 119.914 0.116 0.000 2.843 120 V HA 0.564 4.684 4.120 -0.000 0.000 0.366 120 V C 0.050 176.184 176.094 0.067 0.000 1.283 120 V CA -0.403 61.952 62.300 0.092 0.000 1.303 120 V CB -0.273 31.585 31.823 0.058 0.000 1.418 120 V HN 0.719 nan 8.190 nan 0.000 0.598 121 Q N 0.257 120.110 119.800 0.089 0.000 2.248 121 Q HA 0.566 4.906 4.340 -0.000 0.000 0.263 121 Q C 0.437 176.473 176.000 0.059 0.000 1.007 121 Q CA -0.800 55.041 55.803 0.065 0.000 0.877 121 Q CB 2.295 31.079 28.738 0.077 0.000 1.315 121 Q HN 0.092 nan 8.270 nan 0.000 0.454 122 K N 0.354 120.772 120.400 0.030 0.000 2.244 122 K HA 0.144 4.464 4.320 -0.000 0.000 0.200 122 K C -0.268 176.331 176.600 -0.001 0.000 1.052 122 K CA 0.911 57.199 56.287 0.001 0.000 0.980 122 K CB 0.776 33.263 32.500 -0.022 0.000 0.838 122 K HN 0.497 nan 8.250 nan 0.000 0.481 123 E N -0.087 120.124 120.200 0.020 0.000 2.272 123 E HA 0.644 4.994 4.350 -0.000 0.000 0.269 123 E C -1.239 175.392 176.600 0.052 0.000 0.877 123 E CA -0.799 55.621 56.400 0.033 0.000 0.755 123 E CB 2.255 31.972 29.700 0.028 0.000 1.192 123 E HN 0.117 nan 8.360 nan 0.000 0.422 124 A N 1.200 124.052 122.820 0.054 0.000 2.592 124 A HA 0.386 4.706 4.320 -0.000 0.000 0.300 124 A C -1.610 175.990 177.584 0.027 0.000 0.994 124 A CA -0.632 51.449 52.037 0.074 0.000 0.707 124 A CB 0.819 19.933 19.000 0.190 0.000 1.273 124 A HN 0.227 nan 8.150 nan 0.000 0.413 125 V N 3.747 123.657 119.914 -0.007 0.000 2.370 125 V HA 0.355 4.475 4.120 -0.000 0.000 0.283 125 V C 1.003 176.967 176.094 -0.216 0.000 1.023 125 V CA -0.204 62.060 62.300 -0.060 0.000 0.857 125 V CB 1.094 32.899 31.823 -0.030 0.000 0.985 125 V HN 0.833 nan 8.190 nan 0.000 0.443 126 L N 4.906 125.914 121.223 -0.358 0.000 2.121 126 L HA 0.266 4.606 4.340 -0.000 0.000 0.200 126 L C 0.279 176.915 176.870 -0.390 0.000 1.077 126 L CA 0.883 55.371 54.840 -0.586 0.000 0.766 126 L CB -0.152 41.491 42.059 -0.692 0.000 0.931 126 L HN 0.380 nan 8.230 nan 0.000 0.452 127 V N -0.339 119.407 119.914 -0.280 0.000 2.876 127 V HA 0.515 4.635 4.120 -0.000 0.000 0.312 127 V C -0.698 175.303 176.094 -0.155 0.000 1.085 127 V CA -0.678 61.499 62.300 -0.204 0.000 0.945 127 V CB 2.588 34.298 31.823 -0.188 0.000 1.017 127 V HN 0.254 nan 8.190 nan 0.000 0.428 128 R N 2.450 122.881 120.500 -0.116 0.000 2.508 128 R HA 0.658 4.998 4.340 -0.000 0.000 0.283 128 R C -2.154 174.139 176.300 -0.012 0.000 1.120 128 R CA -0.330 55.740 56.100 -0.051 0.000 0.958 128 R CB 2.099 32.380 30.300 -0.032 0.000 1.215 128 R HN 0.554 nan 8.270 nan 0.000 0.427 129 V N 3.415 123.362 119.914 0.055 0.000 2.435 129 V HA 0.481 4.601 4.120 -0.000 0.000 0.290 129 V C -0.320 175.986 176.094 0.353 0.000 1.030 129 V CA -0.698 61.686 62.300 0.140 0.000 0.881 129 V CB 1.699 33.564 31.823 0.070 0.000 0.983 129 V HN 0.698 nan 8.190 nan 0.000 0.445 130 D N 2.332 122.899 120.400 0.277 0.000 2.481 130 D HA 0.405 5.045 4.640 -0.000 0.000 0.244 130 D C -0.418 176.022 176.300 0.234 0.000 1.057 130 D CA -0.320 53.858 54.000 0.297 0.000 0.848 130 D CB 2.340 43.242 40.800 0.169 0.000 1.388 130 D HN 0.620 nan 8.370 nan 0.000 0.475 131 S N 0.155 116.030 115.700 0.291 0.000 2.489 131 S HA 0.272 4.742 4.470 -0.000 0.000 0.277 131 S C 0.505 175.170 174.600 0.109 0.000 1.230 131 S CA -0.901 57.398 58.200 0.164 0.000 1.053 131 S CB 0.751 64.107 63.200 0.260 0.000 0.955 131 S HN 0.446 nan 8.310 nan 0.000 0.488 132 S N 3.297 119.031 115.700 0.056 0.000 3.129 132 S HA -0.016 4.454 4.470 -0.000 0.000 0.371 132 S C 0.566 175.195 174.600 0.049 0.000 1.196 132 S CA -0.163 58.063 58.200 0.043 0.000 0.989 132 S CB -1.060 62.151 63.200 0.018 0.000 0.695 132 S HN 1.591 nan 8.310 nan 0.000 0.499 133 S N 3.293 119.018 115.700 0.042 0.000 2.952 133 S HA 0.357 4.827 4.470 -0.000 0.000 0.351 133 S C 1.433 176.054 174.600 0.034 0.000 1.211 133 S CA -0.153 58.069 58.200 0.036 0.000 1.002 133 S CB -0.591 62.623 63.200 0.023 0.000 0.702 133 S HN 2.393 nan 8.310 nan 0.000 0.495 134 G N 2.934 111.757 108.800 0.038 0.000 3.141 134 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.205 134 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.205 134 G C -0.105 174.824 174.900 0.048 0.000 1.924 134 G CA -0.424 44.697 45.100 0.035 0.000 1.573 134 G HN 1.017 nan 8.290 nan 0.000 0.591 135 L N 2.414 123.671 121.223 0.057 0.000 2.525 135 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 135 L C 2.035 178.968 176.870 0.105 0.000 1.218 135 L CA 0.412 55.297 54.840 0.076 0.000 0.878 135 L CB 0.232 42.342 42.059 0.085 0.000 1.127 135 L HN 0.513 nan 8.230 nan 0.000 0.492 136 G N 1.445 110.308 108.800 0.105 0.000 2.396 136 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 136 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 136 G C 0.363 175.385 174.900 0.203 0.000 1.166 136 G CA -0.188 44.992 45.100 0.132 0.000 0.793 136 G HN 0.764 nan 8.290 nan 0.000 0.533 137 D N 0.222 120.717 120.400 0.157 0.000 2.949 137 D HA 0.105 4.745 4.640 -0.000 0.000 0.208 137 D C -0.133 176.293 176.300 0.210 0.000 1.104 137 D CA 1.198 55.246 54.000 0.080 0.000 0.801 137 D CB -0.008 40.902 40.800 0.183 0.000 1.182 137 D HN 0.549 nan 8.370 nan 0.000 0.517 138 Y N -1.377 118.784 120.300 -0.231 0.000 2.687 138 Y HA 0.522 5.072 4.550 -0.000 0.000 0.338 138 Y C -2.374 173.385 175.900 -0.235 0.000 1.189 138 Y CA -1.502 56.545 58.100 -0.088 0.000 1.097 138 Y CB 0.621 39.098 38.460 0.027 0.000 1.342 138 Y HN 0.271 nan 8.280 nan 0.000 0.461 139 L N 2.412 123.710 121.223 0.125 0.000 2.410 139 L HA 0.725 5.065 4.340 -0.000 0.000 0.270 139 L C -1.304 175.627 176.870 0.100 0.000 0.983 139 L CA -0.370 54.472 54.840 0.004 0.000 0.822 139 L CB 2.124 44.194 42.059 0.018 0.000 1.285 139 L HN 0.876 nan 8.230 nan 0.000 0.409 140 E N 3.811 124.016 120.200 0.009 0.000 2.256 140 E HA 0.479 4.829 4.350 -0.000 0.000 0.268 140 E C -1.972 174.425 176.600 -0.337 0.000 0.877 140 E CA -0.860 55.496 56.400 -0.073 0.000 0.757 140 E CB 2.086 31.833 29.700 0.078 0.000 1.183 140 E HN 0.620 nan 8.360 nan 0.000 0.418 141 L N 6.426 127.449 121.223 -0.332 0.000 2.316 141 L HA 0.442 4.782 4.340 -0.000 0.000 0.280 141 L C -1.078 175.586 176.870 -0.344 0.000 1.006 141 L CA -0.085 54.509 54.840 -0.411 0.000 0.836 141 L CB 0.643 42.525 42.059 -0.297 0.000 1.221 141 L HN 0.623 nan 8.230 nan 0.000 0.418 142 H N 3.431 122.395 119.070 -0.176 0.000 2.931 142 H HA 0.632 5.188 4.556 -0.000 0.000 0.331 142 H C -1.168 174.070 175.328 -0.150 0.000 1.273 142 H CA -1.341 54.606 56.048 -0.168 0.000 1.171 142 H CB 1.784 31.481 29.762 -0.109 0.000 1.898 142 H HN 0.442 nan 8.280 nan 0.000 0.562 143 I N 1.809 122.452 120.570 0.121 0.000 2.411 143 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 143 I C -0.984 175.189 176.117 0.092 0.000 1.012 143 I CA -0.424 60.916 61.300 0.065 0.000 1.119 143 I CB 1.179 39.171 38.000 -0.013 0.000 1.261 143 I HN 0.517 nan 8.210 nan 0.000 0.448 144 H N 6.472 125.526 119.070 -0.027 0.000 2.595 144 H HA 0.285 4.841 4.556 -0.000 0.000 0.313 144 H C -0.379 174.920 175.328 -0.048 0.000 1.023 144 H CA -0.191 55.803 56.048 -0.091 0.000 1.218 144 H CB 0.747 30.414 29.762 -0.158 0.000 1.403 144 H HN 0.538 nan 8.280 nan 0.000 0.477 145 Q N 3.712 123.313 119.800 -0.332 0.000 2.468 145 Q HA -0.225 4.115 4.340 -0.000 0.000 0.289 145 Q C 0.904 176.830 176.000 -0.124 0.000 1.299 145 Q CA 0.867 56.506 55.803 -0.274 0.000 0.838 145 Q CB -1.610 26.893 28.738 -0.392 0.000 1.195 145 Q HN 1.258 nan 8.270 nan 0.000 0.456 146 G N -0.478 108.285 108.800 -0.061 0.000 2.184 146 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 146 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 146 G C -0.044 174.842 174.900 -0.024 0.000 0.975 146 G CA 0.757 45.844 45.100 -0.021 0.000 0.642 146 G HN 0.310 nan 8.290 nan 0.000 0.536 147 K N -0.149 120.236 120.400 -0.026 0.000 2.323 147 K HA 0.640 4.960 4.320 -0.000 0.000 0.259 147 K C -0.353 176.252 176.600 0.009 0.000 0.947 147 K CA -1.134 55.135 56.287 -0.030 0.000 0.819 147 K CB 2.374 34.852 32.500 -0.037 0.000 1.109 147 K HN 0.106 nan 8.250 nan 0.000 0.429 148 I N 2.047 122.609 120.570 -0.013 0.000 2.588 148 I HA 0.267 4.437 4.170 -0.000 0.000 0.283 148 I C 0.278 176.402 176.117 0.011 0.000 1.119 148 I CA 1.027 62.312 61.300 -0.025 0.000 1.419 148 I CB 0.601 38.583 38.000 -0.030 0.000 1.394 148 I HN 0.771 nan 8.210 nan 0.000 0.562 149 G N 5.300 114.103 108.800 0.005 0.000 2.645 149 G HA2 0.673 4.633 3.960 -0.000 0.000 0.292 149 G HA3 0.673 4.633 3.960 -0.000 0.000 0.292 149 G C -2.009 172.739 174.900 -0.253 0.000 1.415 149 G CA -0.556 44.538 45.100 -0.011 0.000 0.785 149 G HN 0.515 nan 8.290 nan 0.000 0.483 150 V N 0.102 119.883 119.914 -0.223 0.000 2.841 150 V HA 0.708 4.828 4.120 -0.000 0.000 0.310 150 V C -0.585 175.378 176.094 -0.218 0.000 1.090 150 V CA -0.886 61.172 62.300 -0.403 0.000 0.930 150 V CB 2.149 33.666 31.823 -0.510 0.000 1.014 150 V HN 0.823 nan 8.190 nan 0.000 0.425 151 K N 3.936 124.200 120.400 -0.227 0.000 2.443 151 K HA 0.752 5.072 4.320 -0.000 0.000 0.252 151 K C -1.736 174.826 176.600 -0.063 0.000 0.933 151 K CA -0.401 55.842 56.287 -0.074 0.000 0.792 151 K CB 2.119 34.681 32.500 0.103 0.000 1.185 151 K HN 0.619 nan 8.250 nan 0.000 0.425 152 F N 0.509 120.258 119.950 -0.335 0.000 2.715 152 F HA 0.617 5.144 4.527 -0.000 0.000 0.318 152 F C -1.524 173.841 175.800 -0.725 0.000 1.141 152 F CA -1.020 56.580 58.000 -0.667 0.000 0.950 152 F CB 1.535 40.257 39.000 -0.463 0.000 1.374 152 F HN 0.403 nan 8.300 nan 0.000 0.477 153 N N 0.468 118.760 118.700 -0.679 0.000 2.600 153 N HA 0.318 5.058 4.740 -0.000 0.000 0.272 153 N C -0.805 174.529 175.510 -0.293 0.000 1.095 153 N CA -0.241 52.526 53.050 -0.471 0.000 0.993 153 N CB 2.386 40.591 38.487 -0.470 0.000 1.603 153 N HN 0.997 nan 8.380 nan 0.000 0.526 154 V N 0.907 120.759 119.914 -0.103 0.000 3.528 154 V HA 0.642 4.762 4.120 -0.000 0.000 0.294 154 V C 1.013 177.098 176.094 -0.014 0.000 1.404 154 V CA 1.053 63.310 62.300 -0.072 0.000 1.065 154 V CB 0.355 32.177 31.823 -0.000 0.000 0.904 154 V HN 0.808 nan 8.190 nan 0.000 0.435 155 G N -0.356 108.427 108.800 -0.028 0.000 3.465 155 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.219 155 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.219 155 G C 0.511 175.403 174.900 -0.014 0.000 0.984 155 G CA 0.460 45.557 45.100 -0.005 0.000 0.864 155 G HN 0.395 nan 8.290 nan 0.000 0.485 156 T N 1.414 115.950 114.554 -0.029 0.000 3.074 156 T HA 0.364 4.714 4.350 -0.000 0.000 0.181 156 T C 0.433 175.103 174.700 -0.050 0.000 0.714 156 T CA 0.828 62.909 62.100 -0.032 0.000 2.341 156 T CB -0.004 68.846 68.868 -0.030 0.000 2.346 156 T HN 0.271 nan 8.240 nan 0.000 0.391 157 D N 1.237 121.591 120.400 -0.077 0.000 2.564 157 D HA 0.318 4.958 4.640 -0.000 0.000 0.273 157 D C -0.871 175.330 176.300 -0.164 0.000 1.192 157 D CA -0.501 53.445 54.000 -0.090 0.000 1.080 157 D CB 0.435 41.187 40.800 -0.081 0.000 1.160 157 D HN 0.239 nan 8.370 nan 0.000 0.607 158 D N 0.485 120.789 120.400 -0.160 0.000 2.277 158 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 158 D C -0.098 175.998 176.300 -0.339 0.000 1.134 158 D CA -0.004 53.847 54.000 -0.248 0.000 0.863 158 D CB 1.432 42.168 40.800 -0.106 0.000 1.143 158 D HN 0.173 nan 8.370 nan 0.000 0.458 159 I N 1.606 121.787 120.570 -0.647 0.000 2.404 159 I HA 0.502 4.672 4.170 -0.000 0.000 0.293 159 I C 0.057 175.835 176.117 -0.565 0.000 0.992 159 I CA -0.699 60.217 61.300 -0.639 0.000 1.149 159 I CB 1.796 39.268 38.000 -0.880 0.000 1.315 159 I HN 0.270 nan 8.210 nan 0.000 0.446 160 A N 7.240 129.928 122.820 -0.220 0.000 2.413 160 A HA 0.903 5.223 4.320 -0.000 0.000 0.307 160 A C -1.173 176.437 177.584 0.043 0.000 1.087 160 A CA -0.585 51.410 52.037 -0.071 0.000 0.750 160 A CB 2.001 20.983 19.000 -0.029 0.000 1.296 160 A HN 0.737 nan 8.150 nan 0.000 0.423 161 I N 0.464 121.099 120.570 0.108 0.000 2.692 161 I HA 0.604 4.774 4.170 -0.000 0.000 0.293 161 I C -1.117 175.071 176.117 0.118 0.000 1.200 161 I CA -0.168 61.221 61.300 0.147 0.000 1.036 161 I CB 1.818 39.969 38.000 0.253 0.000 1.258 161 I HN 0.931 nan 8.210 nan 0.000 0.421 162 E N 5.338 125.597 120.200 0.097 0.000 2.366 162 E HA 0.262 4.612 4.350 -0.000 0.000 0.278 162 E C -1.683 174.947 176.600 0.049 0.000 0.923 162 E CA -0.684 55.762 56.400 0.076 0.000 0.761 162 E CB 1.934 31.684 29.700 0.084 0.000 1.231 162 E HN 0.514 nan 8.360 nan 0.000 0.443 163 E N 1.947 122.159 120.200 0.020 0.000 1.893 163 E HA 0.134 4.484 4.350 -0.000 0.000 0.269 163 E C -0.050 176.504 176.600 -0.076 0.000 1.129 163 E CA 0.130 56.506 56.400 -0.039 0.000 0.904 163 E CB 0.361 30.009 29.700 -0.085 0.000 1.077 163 E HN 0.498 nan 8.360 nan 0.000 0.407 164 S N 3.266 118.937 115.700 -0.048 0.000 2.501 164 S HA 0.015 4.485 4.470 -0.000 0.000 0.220 164 S C 1.203 175.756 174.600 -0.079 0.000 0.997 164 S CA -0.036 58.135 58.200 -0.047 0.000 0.919 164 S CB -0.023 63.171 63.200 -0.009 0.000 0.778 164 S HN 0.372 nan 8.310 nan 0.000 0.523 165 N N 2.964 121.599 118.700 -0.108 0.000 2.131 165 N HA 0.180 4.920 4.740 -0.000 0.000 0.190 165 N C 1.099 176.484 175.510 -0.208 0.000 1.055 165 N CA 1.064 54.049 53.050 -0.108 0.000 0.853 165 N CB -1.061 37.392 38.487 -0.057 0.000 1.035 165 N HN 0.518 nan 8.380 nan 0.000 0.440 166 A N 1.316 123.846 122.820 -0.483 0.000 2.475 166 A HA 0.277 4.597 4.320 -0.000 0.000 0.239 166 A C 0.272 177.592 177.584 -0.438 0.000 1.087 166 A CA 0.118 51.717 52.037 -0.730 0.000 0.779 166 A CB -0.052 17.790 19.000 -1.931 0.000 1.036 166 A HN 0.410 nan 8.150 nan 0.000 0.506 167 I N 0.562 120.926 120.570 -0.343 0.000 2.646 167 I HA 0.506 4.676 4.170 -0.000 0.000 0.299 167 I C -0.127 175.832 176.117 -0.262 0.000 1.036 167 I CA -0.794 60.386 61.300 -0.200 0.000 1.074 167 I CB 1.852 39.807 38.000 -0.074 0.000 1.258 167 I HN 0.622 nan 8.210 nan 0.000 0.430 168 I N 2.952 123.414 120.570 -0.180 0.000 4.541 168 I HA 0.268 4.438 4.170 -0.000 0.000 0.337 168 I C 0.479 176.685 176.117 0.148 0.000 1.338 168 I CA -0.062 61.088 61.300 -0.250 0.000 1.244 168 I CB -0.516 37.372 38.000 -0.188 0.000 1.417 168 I HN 0.499 nan 8.210 nan 0.000 0.501 169 N N 1.445 120.228 118.700 0.138 0.000 2.389 169 N HA -0.041 4.699 4.740 -0.000 0.000 0.237 169 N C 0.136 175.742 175.510 0.160 0.000 1.148 169 N CA 0.344 53.506 53.050 0.187 0.000 0.854 169 N CB -0.450 38.111 38.487 0.122 0.000 1.115 169 N HN 0.541 nan 8.380 nan 0.000 0.492 170 D N -0.867 119.646 120.400 0.188 0.000 2.352 170 D HA 0.145 4.785 4.640 -0.000 0.000 0.236 170 D C 1.240 177.626 176.300 0.144 0.000 1.148 170 D CA -0.018 54.076 54.000 0.157 0.000 0.844 170 D CB -0.598 40.307 40.800 0.174 0.000 0.933 170 D HN 0.292 nan 8.370 nan 0.000 0.507 171 G N 0.113 109.006 108.800 0.154 0.000 2.196 171 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.268 171 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.268 171 G C 0.349 175.294 174.900 0.075 0.000 0.975 171 G CA 0.826 45.993 45.100 0.112 0.000 0.648 171 G HN 0.530 nan 8.290 nan 0.000 0.538 172 K N -1.000 119.444 120.400 0.074 0.000 2.132 172 K HA 0.539 4.859 4.320 -0.000 0.000 0.241 172 K C -0.054 176.442 176.600 -0.173 0.000 1.000 172 K CA -1.136 55.118 56.287 -0.055 0.000 0.911 172 K CB 0.916 33.366 32.500 -0.083 0.000 1.093 172 K HN 0.015 nan 8.250 nan 0.000 0.460 173 Y N 2.376 122.423 120.300 -0.422 0.000 2.442 173 Y HA 0.047 4.597 4.550 -0.000 0.000 0.330 173 Y C -0.468 175.004 175.900 -0.713 0.000 1.129 173 Y CA 0.098 57.923 58.100 -0.458 0.000 1.365 173 Y CB 0.117 38.363 38.460 -0.356 0.000 1.233 173 Y HN 0.432 nan 8.280 nan 0.000 0.529 174 H N 3.640 122.798 119.070 0.148 0.000 2.974 174 H HA 0.490 5.046 4.556 -0.000 0.000 0.366 174 H C -1.359 173.892 175.328 -0.128 0.000 1.155 174 H CA -0.699 55.208 56.048 -0.235 0.000 1.186 174 H CB 1.943 31.348 29.762 -0.594 0.000 1.799 174 H HN 0.392 nan 8.280 nan 0.000 0.541 175 V N 2.843 122.855 119.914 0.164 0.000 2.487 175 V HA 0.278 4.398 4.120 -0.000 0.000 0.298 175 V C -0.318 175.961 176.094 0.310 0.000 1.028 175 V CA -0.731 61.727 62.300 0.264 0.000 0.860 175 V CB 2.351 34.268 31.823 0.156 0.000 0.991 175 V HN 0.466 nan 8.190 nan 0.000 0.427 176 V N 7.069 127.209 119.914 0.376 0.000 2.628 176 V HA 0.704 4.824 4.120 -0.000 0.000 0.306 176 V C -0.534 175.713 176.094 0.256 0.000 1.045 176 V CA -0.579 61.908 62.300 0.313 0.000 0.905 176 V CB 2.015 34.032 31.823 0.324 0.000 0.997 176 V HN 0.932 nan 8.190 nan 0.000 0.436 177 R N 5.558 126.194 120.500 0.227 0.000 2.513 177 R HA 0.496 4.836 4.340 -0.000 0.000 0.301 177 R C -1.558 174.888 176.300 0.244 0.000 0.968 177 R CA -0.400 55.828 56.100 0.214 0.000 0.872 177 R CB 2.253 32.644 30.300 0.152 0.000 1.177 177 R HN 0.669 nan 8.270 nan 0.000 0.444 178 F N 1.108 121.118 119.950 0.100 0.000 2.458 178 F HA 0.561 5.087 4.527 -0.000 0.000 0.330 178 F C -0.562 175.269 175.800 0.051 0.000 1.082 178 F CA -0.264 57.777 58.000 0.068 0.000 0.995 178 F CB 2.332 41.365 39.000 0.055 0.000 1.170 178 F HN 0.280 nan 8.300 nan 0.000 0.478 179 T N 5.876 119.747 114.554 -1.139 0.000 2.952 179 T HA 0.458 4.808 4.350 -0.000 0.000 0.305 179 T C -1.425 172.590 174.700 -1.141 0.000 1.064 179 T CA -0.652 60.942 62.100 -0.843 0.000 1.008 179 T CB 1.436 70.082 68.868 -0.370 0.000 1.078 179 T HN 0.775 nan 8.240 nan 0.000 0.459 180 R N 1.528 121.595 120.500 -0.723 0.000 2.744 180 R HA 0.719 5.059 4.340 -0.000 0.000 0.279 180 R C -1.285 174.841 176.300 -0.291 0.000 0.977 180 R CA -0.587 55.196 56.100 -0.529 0.000 0.906 180 R CB 1.659 31.668 30.300 -0.484 0.000 1.197 180 R HN 0.589 nan 8.270 nan 0.000 0.463 181 S N 2.603 118.167 115.700 -0.227 0.000 2.413 181 S HA 0.439 4.909 4.470 -0.000 0.000 0.170 181 S C 0.208 174.739 174.600 -0.115 0.000 1.294 181 S CA 0.380 58.488 58.200 -0.153 0.000 1.201 181 S CB 0.349 63.455 63.200 -0.158 0.000 1.328 181 S HN 1.178 nan 8.310 nan 0.000 0.418 182 G N 3.385 112.136 108.800 -0.082 0.000 2.536 182 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.277 182 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.277 182 G C 0.943 175.859 174.900 0.028 0.000 1.155 182 G CA 0.218 45.302 45.100 -0.027 0.000 0.960 182 G HN 1.608 nan 8.290 nan 0.000 0.544 183 G N 0.620 109.452 108.800 0.054 0.000 2.441 183 G HA2 0.152 4.112 3.960 -0.000 0.000 0.212 183 G HA3 0.152 4.112 3.960 -0.000 0.000 0.212 183 G C 0.711 175.706 174.900 0.159 0.000 1.164 183 G CA 0.897 46.092 45.100 0.157 0.000 0.811 183 G HN 0.775 nan 8.290 nan 0.000 0.535 184 N N 1.676 120.356 118.700 -0.033 0.000 2.412 184 N HA 0.394 5.134 4.740 -0.000 0.000 0.258 184 N C 0.064 175.512 175.510 -0.103 0.000 1.236 184 N CA 0.679 53.623 53.050 -0.177 0.000 0.882 184 N CB 1.270 39.471 38.487 -0.477 0.000 1.066 184 N HN 0.387 nan 8.380 nan 0.000 0.465 185 A N 1.279 124.090 122.820 -0.015 0.000 2.530 185 A HA 0.816 5.136 4.320 -0.000 0.000 0.288 185 A C -0.469 177.099 177.584 -0.027 0.000 1.172 185 A CA -0.532 51.473 52.037 -0.053 0.000 0.733 185 A CB 1.789 20.933 19.000 0.240 0.000 1.320 185 A HN 0.448 nan 8.150 nan 0.000 0.419 186 T N 0.086 114.539 114.554 -0.168 0.000 2.956 186 T HA 0.587 4.937 4.350 -0.000 0.000 0.312 186 T C -1.791 172.915 174.700 0.010 0.000 1.151 186 T CA -0.184 61.887 62.100 -0.048 0.000 1.024 186 T CB 1.215 70.036 68.868 -0.078 0.000 1.140 186 T HN 0.944 nan 8.240 nan 0.000 0.473 187 L N 2.642 123.942 121.223 0.128 0.000 2.393 187 L HA 0.775 5.115 4.340 -0.000 0.000 0.260 187 L C -1.485 175.477 176.870 0.154 0.000 1.002 187 L CA -0.264 54.691 54.840 0.192 0.000 0.818 187 L CB 2.172 44.371 42.059 0.233 0.000 1.369 187 L HN 0.599 nan 8.230 nan 0.000 0.412 188 Q N 2.963 122.864 119.800 0.169 0.000 2.364 188 Q HA 0.483 4.823 4.340 -0.000 0.000 0.251 188 Q C -2.184 173.940 176.000 0.207 0.000 0.927 188 Q CA -0.474 55.434 55.803 0.174 0.000 0.924 188 Q CB 2.312 31.138 28.738 0.146 0.000 1.419 188 Q HN 0.553 nan 8.270 nan 0.000 0.427 189 V N 4.059 124.117 119.914 0.241 0.000 2.483 189 V HA 0.289 4.409 4.120 -0.000 0.000 0.295 189 V C 0.694 177.056 176.094 0.447 0.000 1.035 189 V CA -0.214 62.257 62.300 0.285 0.000 0.896 189 V CB 1.532 33.441 31.823 0.145 0.000 0.986 189 V HN 0.964 nan 8.190 nan 0.000 0.447 190 D N 3.208 123.831 120.400 0.372 0.000 4.304 190 D HA -0.286 4.354 4.640 -0.000 0.000 0.242 190 D C 1.282 177.701 176.300 0.198 0.000 0.625 190 D CA 2.356 56.539 54.000 0.306 0.000 0.997 190 D CB -0.693 40.399 40.800 0.487 0.000 0.459 190 D HN 0.677 nan 8.370 nan 0.000 0.378 191 S N -0.975 114.804 115.700 0.132 0.000 2.733 191 S HA 0.088 4.558 4.470 -0.000 0.000 0.247 191 S C 0.356 174.946 174.600 -0.017 0.000 1.043 191 S CA -0.639 57.552 58.200 -0.015 0.000 1.066 191 S CB 0.783 63.890 63.200 -0.155 0.000 1.045 191 S HN 0.267 nan 8.310 nan 0.000 0.586 192 W N 4.241 125.564 121.300 0.038 0.000 2.186 192 W HA 0.073 4.733 4.660 -0.000 0.000 0.355 192 W C -2.196 174.344 176.519 0.035 0.000 1.293 192 W CA -0.761 56.606 57.345 0.037 0.000 1.316 192 W CB -0.339 29.147 29.460 0.044 0.000 1.212 192 W HN 0.051 nan 8.180 nan 0.000 0.610 193 P HA -0.001 nan 4.420 nan 0.000 0.268 193 P C -0.428 176.967 177.300 0.159 0.000 1.208 193 P CA 0.089 63.279 63.100 0.150 0.000 0.777 193 P CB 0.668 32.443 31.700 0.125 0.000 0.875 194 V N 3.958 123.940 119.914 0.113 0.000 2.555 194 V HA 0.071 4.191 4.120 -0.000 0.000 0.286 194 V C 0.974 177.129 176.094 0.101 0.000 1.044 194 V CA -0.011 62.354 62.300 0.107 0.000 1.026 194 V CB 0.018 31.890 31.823 0.082 0.000 0.981 194 V HN 0.333 nan 8.190 nan 0.000 0.480 195 I N 5.072 125.709 120.570 0.111 0.000 2.396 195 I HA 0.400 4.570 4.170 -0.000 0.000 0.292 195 I C 0.173 176.363 176.117 0.122 0.000 0.999 195 I CA -0.243 61.120 61.300 0.106 0.000 1.310 195 I CB 0.999 39.065 38.000 0.111 0.000 1.404 195 I HN 0.631 nan 8.210 nan 0.000 0.496 196 E N 5.296 125.568 120.200 0.121 0.000 2.218 196 E HA 0.474 4.824 4.350 -0.000 0.000 0.263 196 E C -0.961 175.783 176.600 0.239 0.000 0.879 196 E CA -1.007 55.519 56.400 0.210 0.000 0.762 196 E CB 2.572 32.397 29.700 0.208 0.000 1.166 196 E HN 0.279 nan 8.360 nan 0.000 0.415 197 R N 2.336 123.039 120.500 0.338 0.000 2.445 197 R HA 0.313 4.653 4.340 -0.000 0.000 0.308 197 R C -1.693 174.908 176.300 0.503 0.000 0.961 197 R CA -0.517 55.772 56.100 0.315 0.000 0.862 197 R CB 0.486 30.922 30.300 0.226 0.000 1.144 197 R HN 0.460 nan 8.270 nan 0.000 0.447 198 Y N 5.737 126.066 120.300 0.048 0.000 2.658 198 Y HA 0.326 4.876 4.550 -0.000 0.000 0.362 198 Y C -1.822 174.096 175.900 0.031 0.000 1.017 198 Y CA -2.978 55.146 58.100 0.040 0.000 1.134 198 Y CB 0.165 38.641 38.460 0.027 0.000 1.144 198 Y HN 0.597 nan 8.280 nan 0.000 0.655 199 P HA -0.157 nan 4.420 nan 0.000 0.271 199 P C 0.526 177.862 177.300 0.061 0.000 1.179 199 P CA 0.421 63.562 63.100 0.069 0.000 0.766 199 P CB 0.941 32.660 31.700 0.031 0.000 0.789 232 R N 1.016 121.520 120.500 0.006 0.000 2.390 232 R HA 0.496 4.836 4.340 -0.000 0.000 0.291 232 R C -0.836 175.465 176.300 0.003 0.000 1.070 232 R CA -0.099 56.004 56.100 0.005 0.000 1.014 232 R CB 0.639 30.941 30.300 0.003 0.000 1.007 232 R HN 0.377 nan 8.270 nan 0.000 0.466 233 Q N 3.360 123.162 119.800 0.004 0.000 2.377 233 Q HA 0.343 4.683 4.340 -0.000 0.000 0.271 233 Q C -0.399 175.606 176.000 0.008 0.000 1.077 233 Q CA -0.810 54.996 55.803 0.005 0.000 0.820 233 Q CB 2.399 31.145 28.738 0.012 0.000 1.347 233 Q HN 0.570 nan 8.270 nan 0.000 0.444 234 L N 0.224 121.453 121.223 0.011 0.000 2.456 234 L HA 0.345 4.685 4.340 -0.000 0.000 0.257 234 L C 1.051 177.935 176.870 0.023 0.000 1.162 234 L CA 0.130 54.978 54.840 0.014 0.000 0.808 234 L CB 0.818 42.885 42.059 0.013 0.000 1.136 234 L HN 0.691 nan 8.230 nan 0.000 0.466 235 T N 0.350 114.917 114.554 0.021 0.000 3.019 235 T HA 0.350 4.700 4.350 -0.000 0.000 0.247 235 T C 0.532 175.252 174.700 0.032 0.000 0.992 235 T CA 0.063 62.175 62.100 0.020 0.000 1.036 235 T CB 0.301 69.172 68.868 0.005 0.000 1.063 235 T HN 0.205 nan 8.240 nan 0.000 0.476 236 I N 2.212 122.809 120.570 0.044 0.000 2.353 236 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 236 I C -0.757 175.451 176.117 0.152 0.000 0.992 236 I CA -0.833 60.513 61.300 0.076 0.000 1.268 236 I CB 1.107 39.136 38.000 0.048 0.000 1.387 236 I HN 0.104 nan 8.210 nan 0.000 0.478 237 F N 6.942 126.885 119.950 -0.012 0.000 2.462 237 F HA 0.309 4.836 4.527 -0.000 0.000 0.354 237 F C 0.095 175.882 175.800 -0.021 0.000 1.192 237 F CA -1.372 56.628 58.000 -0.000 0.000 1.173 237 F CB -0.805 38.201 39.000 0.010 0.000 1.402 237 F HN 0.428 nan 8.300 nan 0.000 0.595 238 N N 2.253 121.114 118.700 0.268 0.000 2.508 238 N HA 0.054 4.794 4.740 -0.000 0.000 0.264 238 N C 0.230 175.719 175.510 -0.034 0.000 1.216 238 N CA 0.073 53.165 53.050 0.070 0.000 0.943 238 N CB 0.543 39.071 38.487 0.069 0.000 1.113 238 N HN 0.482 nan 8.380 nan 0.000 0.447 239 S N 0.335 115.963 115.700 -0.119 0.000 3.315 239 S HA -0.265 4.205 4.470 -0.000 0.000 0.294 239 S C -0.451 174.008 174.600 -0.237 0.000 0.856 239 S CA 0.208 58.305 58.200 -0.172 0.000 1.370 239 S CB -1.058 62.092 63.200 -0.082 0.000 1.080 239 S HN 0.482 nan 8.310 nan 0.000 0.483 240 Q N 2.028 121.544 119.800 -0.472 0.000 2.296 240 Q HA 0.512 4.852 4.340 -0.000 0.000 0.262 240 Q C 1.009 176.847 176.000 -0.271 0.000 0.981 240 Q CA 0.422 55.904 55.803 -0.535 0.000 0.905 240 Q CB 1.068 29.257 28.738 -0.916 0.000 1.186 240 Q HN 0.724 nan 8.270 nan 0.000 0.399 241 A N 2.354 125.222 122.820 0.079 0.000 2.211 241 A HA 0.167 4.486 4.320 -0.000 0.000 0.208 241 A C 0.330 178.138 177.584 0.374 0.000 1.250 241 A CA 0.608 52.794 52.037 0.248 0.000 0.935 241 A CB 0.789 19.849 19.000 0.100 0.000 0.982 241 A HN 0.681 nan 8.150 nan 0.000 0.490 242 T N -1.805 112.940 114.554 0.319 0.000 3.041 242 T HA 0.656 5.006 4.350 -0.000 0.000 0.321 242 T C -1.040 173.717 174.700 0.096 0.000 1.184 242 T CA -0.356 61.828 62.100 0.139 0.000 1.050 242 T CB 1.015 69.913 68.868 0.051 0.000 1.159 242 T HN 0.136 nan 8.240 nan 0.000 0.469 243 I N 3.393 123.944 120.570 -0.032 0.000 2.330 243 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 243 I C -0.447 175.631 176.117 -0.066 0.000 1.001 243 I CA -1.010 60.237 61.300 -0.088 0.000 1.193 243 I CB 1.321 39.205 38.000 -0.194 0.000 1.345 243 I HN 0.575 nan 8.210 nan 0.000 0.461 244 I N 7.682 128.216 120.570 -0.061 0.000 2.382 244 I HA 0.403 4.573 4.170 -0.000 0.000 0.285 244 I C -0.378 175.695 176.117 -0.073 0.000 1.007 244 I CA -0.452 60.819 61.300 -0.048 0.000 1.142 244 I CB 1.450 39.433 38.000 -0.029 0.000 1.289 244 I HN 0.396 nan 8.210 nan 0.000 0.453 245 I N 5.552 126.086 120.570 -0.060 0.000 2.336 245 I HA 0.554 4.724 4.170 -0.000 0.000 0.292 245 I C 0.971 177.059 176.117 -0.047 0.000 0.991 245 I CA -0.006 61.240 61.300 -0.090 0.000 1.227 245 I CB 1.495 39.465 38.000 -0.050 0.000 1.366 245 I HN 0.877 nan 8.210 nan 0.000 0.466 246 G N 3.466 112.139 108.800 -0.211 0.000 2.551 246 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.186 246 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.186 246 G C 0.930 175.776 174.900 -0.091 0.000 1.002 246 G CA -0.224 44.764 45.100 -0.186 0.000 0.723 246 G HN 1.176 nan 8.290 nan 0.000 0.481 247 G N 0.729 109.469 108.800 -0.099 0.000 2.416 247 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.301 247 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.301 247 G C 0.904 175.799 174.900 -0.009 0.000 0.985 247 G CA 2.030 47.094 45.100 -0.060 0.000 0.934 247 G HN 0.930 nan 8.290 nan 0.000 0.513 248 K N -0.584 119.823 120.400 0.012 0.000 2.121 248 K HA 0.108 4.428 4.320 -0.000 0.000 0.203 248 K C 2.141 178.748 176.600 0.011 0.000 1.041 248 K CA 0.744 57.049 56.287 0.030 0.000 0.969 248 K CB -0.040 32.496 32.500 0.060 0.000 0.799 248 K HN 0.368 nan 8.250 nan 0.000 0.456 249 E N 0.493 120.696 120.200 0.005 0.000 2.130 249 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 249 E C 1.390 177.978 176.600 -0.020 0.000 0.998 249 E CA 1.474 57.870 56.400 -0.006 0.000 0.806 249 E CB 0.174 29.869 29.700 -0.008 0.000 0.738 249 E HN 0.265 nan 8.360 nan 0.000 0.459 250 Q N -0.873 118.910 119.800 -0.029 0.000 2.482 250 Q HA 0.137 4.477 4.340 -0.000 0.000 0.209 250 Q C 0.682 176.660 176.000 -0.036 0.000 0.961 250 Q CA 0.723 56.499 55.803 -0.045 0.000 0.945 250 Q CB 0.612 29.316 28.738 -0.056 0.000 1.012 250 Q HN 0.385 nan 8.270 nan 0.000 0.515 251 G N 0.970 109.758 108.800 -0.020 0.000 2.289 251 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.280 251 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.280 251 G C -0.260 174.635 174.900 -0.009 0.000 1.089 251 G CA 0.050 45.142 45.100 -0.013 0.000 0.939 251 G HN 0.376 nan 8.290 nan 0.000 0.499 252 Q N -1.204 118.597 119.800 0.001 0.000 3.693 252 Q HA 0.144 4.484 4.340 -0.000 0.000 0.226 252 Q C -2.811 173.209 176.000 0.034 0.000 0.757 252 Q CA -1.491 54.319 55.803 0.011 0.000 0.891 252 Q CB 1.845 30.583 28.738 -0.000 0.000 1.561 252 Q HN 0.334 nan 8.270 nan 0.000 0.390 253 P HA -0.139 nan 4.420 nan 0.000 0.264 253 P C -0.870 176.495 177.300 0.108 0.000 1.173 253 P CA 0.494 63.636 63.100 0.070 0.000 0.761 253 P CB 0.275 32.011 31.700 0.061 0.000 0.794 254 F N 3.107 123.005 119.950 -0.087 0.000 2.458 254 F HA 0.421 4.948 4.527 -0.000 0.000 0.330 254 F C -0.330 175.449 175.800 -0.036 0.000 1.082 254 F CA -0.334 57.586 58.000 -0.133 0.000 0.995 254 F CB 1.463 40.261 39.000 -0.336 0.000 1.170 254 F HN 0.256 nan 8.300 nan 0.000 0.478 255 Q N 4.426 123.713 119.800 -0.854 0.000 2.295 255 Q HA 0.621 4.961 4.340 -0.000 0.000 0.259 255 Q C -0.436 175.045 176.000 -0.864 0.000 0.966 255 Q CA -0.667 54.787 55.803 -0.582 0.000 0.763 255 Q CB 1.971 30.578 28.738 -0.220 0.000 1.283 255 Q HN 1.088 nan 8.270 nan 0.000 0.445 256 G N 1.777 110.200 108.800 -0.627 0.000 2.491 256 G HA2 0.075 4.035 3.960 -0.000 0.000 0.183 256 G HA3 0.075 4.035 3.960 -0.000 0.000 0.183 256 G C -1.727 173.259 174.900 0.144 0.000 1.221 256 G CA -0.680 44.257 45.100 -0.272 0.000 0.996 256 G HN 0.364 nan 8.290 nan 0.000 0.474 257 Q N -0.323 119.703 119.800 0.377 0.000 2.347 257 Q HA 0.715 5.055 4.340 -0.000 0.000 0.271 257 Q C -1.141 175.117 176.000 0.431 0.000 1.064 257 Q CA -0.547 55.519 55.803 0.439 0.000 0.800 257 Q CB 2.870 31.841 28.738 0.389 0.000 1.304 257 Q HN 0.466 nan 8.270 nan 0.000 0.438 258 L N 1.428 122.839 121.223 0.314 0.000 2.365 258 L HA 0.738 5.078 4.340 -0.000 0.000 0.273 258 L C -0.407 176.443 176.870 -0.035 0.000 1.000 258 L CA -0.636 54.305 54.840 0.168 0.000 0.819 258 L CB 2.034 44.236 42.059 0.238 0.000 1.284 258 L HN 0.739 nan 8.230 nan 0.000 0.418 259 S N -0.231 115.404 115.700 -0.108 0.000 2.651 259 S HA 0.706 5.176 4.470 -0.000 0.000 0.279 259 S C 0.210 174.848 174.600 0.063 0.000 1.148 259 S CA -0.313 57.832 58.200 -0.093 0.000 0.837 259 S CB 1.674 64.685 63.200 -0.314 0.000 1.138 259 S HN 1.067 nan 8.310 nan 0.000 0.478 260 G N 0.543 109.397 108.800 0.091 0.000 2.142 260 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.255 260 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.255 260 G C -0.404 174.590 174.900 0.158 0.000 0.803 260 G CA 0.523 45.701 45.100 0.129 0.000 1.195 260 G HN 1.290 nan 8.290 nan 0.000 0.366 261 L N 2.563 123.867 121.223 0.136 0.000 2.265 261 L HA 0.756 5.096 4.340 -0.000 0.000 0.288 261 L C -0.435 176.550 176.870 0.192 0.000 1.058 261 L CA -1.825 53.100 54.840 0.141 0.000 0.809 261 L CB 0.783 42.880 42.059 0.063 0.000 1.179 261 L HN 0.330 nan 8.230 nan 0.000 0.429 262 Y N 5.889 126.249 120.300 0.100 0.000 2.331 262 Y HA 0.480 5.030 4.550 -0.000 0.000 0.334 262 Y C -1.892 174.115 175.900 0.179 0.000 0.960 262 Y CA -0.798 57.363 58.100 0.102 0.000 1.130 262 Y CB 1.158 39.666 38.460 0.080 0.000 1.164 262 Y HN 0.652 nan 8.280 nan 0.000 0.458 263 Y N 6.935 126.950 120.300 -0.476 0.000 2.332 263 Y HA 0.348 4.898 4.550 -0.000 0.000 0.326 263 Y C -0.224 175.392 175.900 -0.473 0.000 0.978 263 Y CA -1.508 56.392 58.100 -0.334 0.000 1.205 263 Y CB 0.561 38.952 38.460 -0.114 0.000 1.131 263 Y HN 0.823 nan 8.280 nan 0.000 0.462 264 N N 4.543 122.651 118.700 -0.988 0.000 2.698 264 N HA -0.225 4.515 4.740 -0.000 0.000 0.258 264 N C 1.078 176.266 175.510 -0.536 0.000 0.978 264 N CA 1.878 54.506 53.050 -0.703 0.000 0.777 264 N CB -1.031 37.026 38.487 -0.716 0.000 0.907 264 N HN 1.322 nan 8.380 nan 0.000 0.543 265 G N -1.985 106.306 108.800 -0.848 0.000 2.241 265 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 265 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 265 G C 0.030 174.799 174.900 -0.220 0.000 0.998 265 G CA 0.259 45.186 45.100 -0.288 0.000 0.621 265 G HN 0.404 nan 8.290 nan 0.000 0.519 266 L N 1.045 122.070 121.223 -0.329 0.000 2.265 266 L HA 0.419 4.759 4.340 -0.000 0.000 0.288 266 L C 0.522 177.304 176.870 -0.147 0.000 1.058 266 L CA -0.409 54.309 54.840 -0.203 0.000 0.809 266 L CB 1.259 43.174 42.059 -0.240 0.000 1.179 266 L HN 0.041 nan 8.230 nan 0.000 0.429 267 K N 3.296 123.664 120.400 -0.052 0.000 2.559 267 K HA 0.140 4.460 4.320 -0.000 0.000 0.236 267 K C 1.132 177.695 176.600 -0.061 0.000 1.185 267 K CA -0.297 56.007 56.287 0.029 0.000 1.157 267 K CB 0.820 33.376 32.500 0.093 0.000 1.782 267 K HN 0.462 nan 8.250 nan 0.000 0.419 268 V N 0.984 120.814 119.914 -0.141 0.000 2.311 268 V HA -0.357 3.763 4.120 -0.000 0.000 0.256 268 V C 2.062 178.075 176.094 -0.134 0.000 1.077 268 V CA 1.832 63.998 62.300 -0.222 0.000 1.067 268 V CB -0.579 31.104 31.823 -0.233 0.000 0.659 268 V HN 0.647 nan 8.190 nan 0.000 0.451 269 L N -0.022 121.167 121.223 -0.057 0.000 2.083 269 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 269 L C 2.510 179.424 176.870 0.074 0.000 1.083 269 L CA 1.499 56.331 54.840 -0.013 0.000 0.752 269 L CB -0.658 41.445 42.059 0.074 0.000 0.899 269 L HN 0.438 nan 8.230 nan 0.000 0.433 270 N N -0.100 118.634 118.700 0.057 0.000 2.135 270 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 270 N C 1.898 177.432 175.510 0.040 0.000 1.027 270 N CA 1.262 54.353 53.050 0.067 0.000 0.849 270 N CB -0.284 38.231 38.487 0.047 0.000 1.002 270 N HN 0.246 nan 8.380 nan 0.000 0.425 271 M N 1.024 120.615 119.600 -0.015 0.000 2.103 271 M HA -0.241 4.239 4.480 -0.000 0.000 0.255 271 M C 2.091 178.389 176.300 -0.004 0.000 1.074 271 M CA 1.990 57.267 55.300 -0.038 0.000 1.090 271 M CB -0.192 32.323 32.600 -0.143 0.000 1.325 271 M HN 0.228 nan 8.290 nan 0.000 0.403 272 A N -0.326 122.484 122.820 -0.016 0.000 1.877 272 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 272 A C 2.284 179.929 177.584 0.102 0.000 1.186 272 A CA 1.933 53.969 52.037 -0.001 0.000 0.620 272 A CB -1.152 17.760 19.000 -0.147 0.000 0.822 272 A HN 0.559 nan 8.150 nan 0.000 0.443 273 A N 0.227 123.155 122.820 0.181 0.000 1.883 273 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 273 A C 1.616 179.255 177.584 0.091 0.000 1.186 273 A CA 1.534 53.684 52.037 0.187 0.000 0.624 273 A CB -0.601 18.498 19.000 0.166 0.000 0.822 273 A HN 0.646 nan 8.150 nan 0.000 0.444 274 E N 0.944 121.183 120.200 0.064 0.000 2.335 274 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 274 E C -0.738 175.885 176.600 0.038 0.000 1.150 274 E CA -0.217 56.208 56.400 0.042 0.000 1.001 274 E CB -0.470 29.250 29.700 0.033 0.000 1.127 274 E HN 0.522 nan 8.360 nan 0.000 0.462 275 N N 3.034 121.762 118.700 0.045 0.000 2.607 275 N HA -0.176 4.564 4.740 -0.000 0.000 0.285 275 N C -0.752 174.778 175.510 0.034 0.000 1.151 275 N CA 0.887 53.959 53.050 0.038 0.000 0.749 275 N CB -0.681 37.824 38.487 0.030 0.000 0.923 275 N HN 0.390 nan 8.380 nan 0.000 0.552 276 D N 0.110 120.533 120.400 0.040 0.000 2.304 276 D HA 0.326 4.966 4.640 -0.000 0.000 0.250 276 D C 1.103 177.431 176.300 0.047 0.000 1.107 276 D CA 0.078 54.108 54.000 0.051 0.000 0.885 276 D CB 1.139 41.982 40.800 0.072 0.000 1.192 276 D HN 0.395 nan 8.370 nan 0.000 0.436 277 A N 4.485 127.329 122.820 0.040 0.000 2.076 277 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 277 A C 1.503 179.087 177.584 -0.000 0.000 1.160 277 A CA 1.242 53.291 52.037 0.020 0.000 0.653 277 A CB -0.138 18.872 19.000 0.018 0.000 0.801 277 A HN 0.653 nan 8.150 nan 0.000 0.455 278 N N -0.877 117.828 118.700 0.008 0.000 2.368 278 N HA 0.177 4.917 4.740 -0.000 0.000 0.178 278 N C 0.259 175.729 175.510 -0.066 0.000 1.076 278 N CA 0.062 53.056 53.050 -0.093 0.000 0.889 278 N CB 0.349 38.675 38.487 -0.268 0.000 1.040 278 N HN 0.407 nan 8.380 nan 0.000 0.463 279 I N 1.792 122.400 120.570 0.064 0.000 2.496 279 I HA 0.184 4.354 4.170 -0.000 0.000 0.285 279 I C -0.014 176.106 176.117 0.006 0.000 1.080 279 I CA -0.335 61.004 61.300 0.065 0.000 1.404 279 I CB 0.907 38.949 38.000 0.070 0.000 1.403 279 I HN -0.036 nan 8.210 nan 0.000 0.539 280 A N 8.363 131.176 122.820 -0.012 0.000 2.332 280 A HA 0.703 5.023 4.320 -0.000 0.000 0.300 280 A C -0.616 176.960 177.584 -0.013 0.000 1.153 280 A CA -0.499 51.530 52.037 -0.013 0.000 0.764 280 A CB 0.641 19.629 19.000 -0.021 0.000 1.174 280 A HN 0.643 nan 8.150 nan 0.000 0.467 281 I N 2.423 122.989 120.570 -0.008 0.000 2.359 281 I HA 0.590 4.760 4.170 -0.000 0.000 0.294 281 I C -0.652 175.468 176.117 0.005 0.000 0.987 281 I CA -0.794 60.501 61.300 -0.008 0.000 1.225 281 I CB 1.733 39.731 38.000 -0.002 0.000 1.366 281 I HN 0.299 nan 8.210 nan 0.000 0.466 282 V N 4.545 124.467 119.914 0.013 0.000 2.891 282 V HA 0.886 5.006 4.120 -0.000 0.000 0.304 282 V C 0.168 176.281 176.094 0.031 0.000 1.171 282 V CA -0.081 62.230 62.300 0.018 0.000 0.943 282 V CB 1.623 33.456 31.823 0.017 0.000 1.037 282 V HN 1.130 nan 8.190 nan 0.000 0.427 283 G N 3.724 112.539 108.800 0.024 0.000 2.352 283 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.324 283 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.324 283 G C -0.261 174.647 174.900 0.013 0.000 1.249 283 G CA -0.118 45.003 45.100 0.035 0.000 1.053 283 G HN 0.644 nan 8.290 nan 0.000 0.492 284 N N 0.644 119.358 118.700 0.023 0.000 2.623 284 N HA 0.301 5.041 4.740 -0.000 0.000 0.263 284 N C 0.394 175.858 175.510 -0.077 0.000 1.218 284 N CA 0.303 53.350 53.050 -0.006 0.000 0.949 284 N CB -0.059 38.441 38.487 0.021 0.000 1.270 284 N HN 0.518 nan 8.380 nan 0.000 0.507 285 V N 0.850 120.680 119.914 -0.140 0.000 2.539 285 V HA 0.487 4.607 4.120 -0.000 0.000 0.292 285 V C 0.375 176.381 176.094 -0.147 0.000 1.045 285 V CA -0.640 61.466 62.300 -0.324 0.000 0.945 285 V CB 1.702 33.265 31.823 -0.434 0.000 0.993 285 V HN 0.151 nan 8.190 nan 0.000 0.464 286 R N 2.553 122.959 120.500 -0.156 0.000 2.725 286 R HA 0.651 4.991 4.340 -0.000 0.000 0.277 286 R C -1.462 174.665 176.300 -0.289 0.000 0.987 286 R CA -0.915 55.103 56.100 -0.136 0.000 0.901 286 R CB 2.051 32.281 30.300 -0.117 0.000 1.207 286 R HN 0.535 nan 8.270 nan 0.000 0.463 287 L N 1.649 122.626 121.223 -0.409 0.000 2.379 287 L HA 0.582 4.922 4.340 -0.000 0.000 0.269 287 L C -0.725 175.915 176.870 -0.384 0.000 1.084 287 L CA -0.221 54.185 54.840 -0.725 0.000 0.802 287 L CB 1.732 43.415 42.059 -0.628 0.000 1.175 287 L HN 0.441 nan 8.230 nan 0.000 0.448 288 V N 0.000 119.704 119.914 -0.351 0.000 2.409 288 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 288 V CA 0.000 62.193 62.300 -0.178 0.000 1.235 288 V CB 0.000 31.755 31.823 -0.114 0.000 1.184 288 V HN 0.000 nan 8.190 nan 0.000 0.556