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 3okf_1_B DATA FIRST_RESID 5 DATA SEQUENCE TMERITVNLG ERSYPISIGA GLFANPALLS LSAKQKVVIV TNHTVAPLYA DATA SEQUENCE PAIISLLDHI GCQHALLELP DGEQYKTLET FNTVMSFLLE HNYSRDVVVI DATA SEQUENCE ALGGGVIGDL VGFAAACYQR GVDFIQIPTT LLSQVDSSVG GKTAVNHPLG DATA SEQUENCE KNMIGAFYQP KAVVIDTDCL TTLPAREFAA GMAEVIKYGI IYDSAFFDWL DATA SEQUENCE EAQMEALYAL DEQALTYAIA RCCQIKAEVV AQDEKESGIR ALLNLGHTFG DATA SEQUENCE HAIEAHMGYG NWLHGEAVSA GTVMAAKTAQ LQGLIDASQF ERILAILKKA DATA SEQUENCE HLPVRTPENM TFADFMQHMM XXXXXXXXXX RLVLPTSIGT SAVVKGVPEA DATA SEQUENCE VIAQAIEYCR TV 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.694 174.700 -0.010 0.000 1.109 5 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 5 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 6 M N -0.391 119.199 119.600 -0.015 0.000 2.465 6 M HA 0.731 5.211 4.480 -0.001 0.000 0.284 6 M C -1.550 174.731 176.300 -0.031 0.000 1.212 6 M CA -0.829 54.456 55.300 -0.026 0.000 0.910 6 M CB 2.034 34.611 32.600 -0.038 0.000 1.725 6 M HN -0.021 nan 8.290 nan 0.000 0.477 7 E N 1.430 121.605 120.200 -0.043 0.000 2.250 7 E HA 0.699 5.049 4.350 -0.001 0.000 0.269 7 E C -1.034 175.524 176.600 -0.071 0.000 1.018 7 E CA -0.964 55.400 56.400 -0.060 0.000 0.873 7 E CB 1.828 31.478 29.700 -0.083 0.000 1.134 7 E HN 0.674 nan 8.360 nan 0.000 0.403 8 R N 0.630 121.083 120.500 -0.078 0.000 2.574 8 R HA 0.453 4.793 4.340 -0.001 0.000 0.288 8 R C -1.522 174.716 176.300 -0.105 0.000 1.004 8 R CA -0.546 55.505 56.100 -0.081 0.000 0.895 8 R CB 0.754 31.018 30.300 -0.061 0.000 1.191 8 R HN 0.268 nan 8.270 nan 0.000 0.444 9 I N 2.494 122.990 120.570 -0.124 0.000 2.493 9 I HA 0.432 4.601 4.170 -0.001 0.000 0.298 9 I C -0.340 175.668 176.117 -0.182 0.000 0.998 9 I CA -0.738 60.468 61.300 -0.158 0.000 1.137 9 I CB 2.085 39.975 38.000 -0.184 0.000 1.310 9 I HN 0.749 nan 8.210 nan 0.000 0.445 10 T N 5.055 119.492 114.554 -0.195 0.000 2.842 10 T HA 0.373 4.723 4.350 -0.001 0.000 0.308 10 T C -0.016 174.506 174.700 -0.296 0.000 1.041 10 T CA -0.357 61.604 62.100 -0.232 0.000 0.964 10 T CB 1.066 69.842 68.868 -0.154 0.000 0.972 10 T HN 0.229 nan 8.240 nan 0.000 0.460 11 V N 5.296 124.910 119.914 -0.500 0.000 2.439 11 V HA 0.142 4.261 4.120 -0.001 0.000 0.271 11 V C 0.500 176.401 176.094 -0.321 0.000 1.040 11 V CA -0.793 61.211 62.300 -0.492 0.000 1.002 11 V CB -0.048 31.246 31.823 -0.882 0.000 1.000 11 V HN 0.722 nan 8.190 nan 0.000 0.477 12 N N 6.268 124.855 118.700 -0.187 0.000 2.402 12 N HA 0.350 5.090 4.740 -0.001 0.000 0.252 12 N C -0.086 175.382 175.510 -0.070 0.000 1.118 12 N CA -0.009 52.973 53.050 -0.112 0.000 0.945 12 N CB 1.067 39.502 38.487 -0.086 0.000 1.147 12 N HN 0.623 nan 8.380 nan 0.000 0.495 13 L N 0.806 122.004 121.223 -0.042 0.000 3.483 13 L HA 0.253 4.593 4.340 -0.001 0.000 0.327 13 L C 1.365 178.236 176.870 0.002 0.000 1.318 13 L CA -0.346 54.492 54.840 -0.004 0.000 0.979 13 L CB 0.160 42.244 42.059 0.043 0.000 1.404 13 L HN 0.662 nan 8.230 nan 0.000 0.615 14 G N 1.428 110.222 108.800 -0.011 0.000 2.677 14 G HA2 -0.450 3.509 3.960 -0.001 0.000 0.321 14 G HA3 -0.450 3.509 3.960 -0.001 0.000 0.321 14 G C 0.850 175.751 174.900 0.002 0.000 1.181 14 G CA 0.966 46.062 45.100 -0.006 0.000 0.965 14 G HN 0.452 nan 8.290 nan 0.000 0.548 15 E N 0.900 121.104 120.200 0.007 0.000 2.153 15 E HA -0.071 4.279 4.350 -0.001 0.000 0.194 15 E C 2.515 179.124 176.600 0.016 0.000 0.988 15 E CA 1.210 57.617 56.400 0.011 0.000 0.811 15 E CB -0.055 29.653 29.700 0.012 0.000 0.746 15 E HN 0.582 nan 8.360 nan 0.000 0.466 16 R N 0.352 120.866 120.500 0.023 0.000 2.317 16 R HA 0.169 4.508 4.340 -0.001 0.000 0.208 16 R C 0.350 176.717 176.300 0.112 0.000 0.914 16 R CA -0.221 55.904 56.100 0.042 0.000 1.060 16 R CB 0.457 30.777 30.300 0.034 0.000 1.015 16 R HN -0.085 nan 8.270 nan 0.000 0.498 17 S N 1.448 117.185 115.700 0.061 0.000 2.558 17 S HA -0.007 4.463 4.470 -0.001 0.000 0.293 17 S C -0.474 174.182 174.600 0.093 0.000 1.292 17 S CA 0.300 58.514 58.200 0.024 0.000 1.063 17 S CB 0.067 63.247 63.200 -0.033 0.000 0.831 17 S HN 0.301 nan 8.310 nan 0.000 0.499 18 Y N 0.932 121.193 120.300 -0.065 0.000 2.615 18 Y HA 0.830 5.379 4.550 -0.001 0.000 0.341 18 Y C -3.293 172.564 175.900 -0.072 0.000 1.089 18 Y CA -3.102 54.953 58.100 -0.075 0.000 1.049 18 Y CB 0.998 39.398 38.460 -0.100 0.000 1.296 18 Y HN 0.336 nan 8.280 nan 0.000 0.470 19 P HA 0.512 nan 4.420 nan 0.000 0.299 19 P C -1.095 176.234 177.300 0.049 0.000 1.323 19 P CA -0.351 62.735 63.100 -0.024 0.000 0.896 19 P CB 2.538 34.233 31.700 -0.008 0.000 1.081 20 I N 1.622 122.175 120.570 -0.030 0.000 2.354 20 I HA 0.226 4.396 4.170 -0.001 0.000 0.286 20 I C 0.221 176.317 176.117 -0.036 0.000 1.007 20 I CA -0.361 60.940 61.300 0.000 0.000 1.167 20 I CB 1.299 39.284 38.000 -0.025 0.000 1.320 20 I HN 0.148 nan 8.210 nan 0.000 0.458 21 S N 7.438 123.125 115.700 -0.022 0.000 2.457 21 S HA 0.625 5.094 4.470 -0.001 0.000 0.289 21 S C -0.224 174.344 174.600 -0.053 0.000 1.163 21 S CA -0.393 57.784 58.200 -0.038 0.000 1.078 21 S CB 0.750 63.934 63.200 -0.026 0.000 0.987 21 S HN 0.363 nan 8.310 nan 0.000 0.482 22 I N 2.776 123.306 120.570 -0.067 0.000 2.468 22 I HA 0.729 4.898 4.170 -0.001 0.000 0.285 22 I C 0.422 176.494 176.117 -0.074 0.000 1.039 22 I CA -0.363 60.891 61.300 -0.077 0.000 1.074 22 I CB 1.846 39.799 38.000 -0.079 0.000 1.228 22 I HN 0.764 nan 8.210 nan 0.000 0.436 23 G N 3.722 112.465 108.800 -0.095 0.000 2.488 23 G HA2 0.686 4.646 3.960 -0.001 0.000 0.301 23 G HA3 0.686 4.646 3.960 -0.001 0.000 0.301 23 G C -1.933 172.896 174.900 -0.117 0.000 1.339 23 G CA -0.534 44.517 45.100 -0.082 0.000 0.803 23 G HN 0.704 nan 8.290 nan 0.000 0.482 24 A N -0.927 121.841 122.820 -0.087 0.000 2.309 24 A HA 0.681 5.000 4.320 -0.001 0.000 0.298 24 A C 1.374 178.892 177.584 -0.110 0.000 1.165 24 A CA 0.940 52.919 52.037 -0.096 0.000 0.821 24 A CB 0.322 19.294 19.000 -0.047 0.000 1.102 24 A HN 2.756 nan 8.150 nan 0.000 0.500 25 G N 1.354 110.066 108.800 -0.147 0.000 2.225 25 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.267 25 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.267 25 G C 0.665 175.493 174.900 -0.120 0.000 1.024 25 G CA 0.599 45.632 45.100 -0.112 0.000 0.784 25 G HN 0.775 nan 8.290 nan 0.000 0.507 26 L N -1.269 119.822 121.223 -0.219 0.000 2.191 26 L HA 0.020 4.359 4.340 -0.001 0.000 0.212 26 L C 2.407 179.257 176.870 -0.034 0.000 1.103 26 L CA 0.842 55.592 54.840 -0.151 0.000 0.769 26 L CB -0.410 41.538 42.059 -0.186 0.000 0.908 26 L HN 0.266 nan 8.230 nan 0.000 0.438 27 F N 0.355 120.290 119.950 -0.026 0.000 2.667 27 F HA -0.121 4.406 4.527 -0.001 0.000 0.295 27 F C 2.018 177.808 175.800 -0.018 0.000 1.185 27 F CA 0.566 58.555 58.000 -0.019 0.000 1.479 27 F CB -1.136 37.862 39.000 -0.003 0.000 1.116 27 F HN 0.035 nan 8.300 nan 0.000 0.606 28 A N -1.108 121.784 122.820 0.119 0.000 2.390 28 A HA 0.132 4.452 4.320 -0.001 0.000 0.232 28 A C 0.821 178.403 177.584 -0.004 0.000 1.233 28 A CA -0.096 51.968 52.037 0.045 0.000 0.907 28 A CB -0.212 18.800 19.000 0.021 0.000 0.967 28 A HN 0.132 nan 8.150 nan 0.000 0.512 29 N N 1.185 119.892 118.700 0.013 0.000 2.589 29 N HA 0.264 5.004 4.740 -0.001 0.000 0.232 29 N C -1.885 173.633 175.510 0.013 0.000 1.015 29 N CA -2.224 50.822 53.050 -0.006 0.000 0.931 29 N CB 1.546 40.030 38.487 -0.005 0.000 1.150 29 N HN 0.030 nan 8.380 nan 0.000 0.512 30 P HA -0.071 nan 4.420 nan 0.000 0.222 30 P C 0.742 178.074 177.300 0.054 0.000 1.147 30 P CA 0.634 63.760 63.100 0.043 0.000 0.790 30 P CB 0.275 32.027 31.700 0.086 0.000 0.780 31 A N -0.089 122.755 122.820 0.041 0.000 2.121 31 A HA -0.040 4.280 4.320 -0.001 0.000 0.218 31 A C 2.225 179.824 177.584 0.027 0.000 1.154 31 A CA 0.742 52.801 52.037 0.037 0.000 0.679 31 A CB -1.375 17.643 19.000 0.029 0.000 0.795 31 A HN 0.164 nan 8.150 nan 0.000 0.458 32 L N -0.877 120.361 121.223 0.025 0.000 2.395 32 L HA -0.016 4.324 4.340 -0.001 0.000 0.218 32 L C 2.023 178.906 176.870 0.022 0.000 1.130 32 L CA 0.389 55.241 54.840 0.020 0.000 0.826 32 L CB -0.292 41.779 42.059 0.020 0.000 0.941 32 L HN 0.382 nan 8.230 nan 0.000 0.451 33 L N -1.260 119.980 121.223 0.029 0.000 2.270 33 L HA 0.034 4.374 4.340 -0.001 0.000 0.210 33 L C 0.871 177.752 176.870 0.018 0.000 1.104 33 L CA -0.015 54.838 54.840 0.023 0.000 0.804 33 L CB -0.148 41.928 42.059 0.030 0.000 0.937 33 L HN 0.154 nan 8.230 nan 0.000 0.450 34 S N 1.124 116.838 115.700 0.024 0.000 3.572 34 S HA -0.127 4.342 4.470 -0.001 0.000 0.394 34 S C -0.277 174.338 174.600 0.025 0.000 0.923 34 S CA 0.369 58.583 58.200 0.023 0.000 1.291 34 S CB -1.457 61.752 63.200 0.015 0.000 0.914 34 S HN 0.248 nan 8.310 nan 0.000 0.545 35 L N 0.666 121.909 121.223 0.033 0.000 2.370 35 L HA 0.608 4.948 4.340 -0.001 0.000 0.266 35 L C 0.373 177.265 176.870 0.037 0.000 1.002 35 L CA -0.716 54.146 54.840 0.036 0.000 0.818 35 L CB 2.249 44.333 42.059 0.041 0.000 1.325 35 L HN 0.220 nan 8.230 nan 0.000 0.418 36 S N 0.254 115.975 115.700 0.036 0.000 2.654 36 S HA 0.408 4.878 4.470 -0.001 0.000 0.283 36 S C 0.934 175.555 174.600 0.034 0.000 1.180 36 S CA -0.102 58.117 58.200 0.031 0.000 1.021 36 S CB 1.824 65.041 63.200 0.028 0.000 1.018 36 S HN 0.751 nan 8.310 nan 0.000 0.532 37 A N 1.630 124.465 122.820 0.025 0.000 2.067 37 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 37 A C 1.929 179.531 177.584 0.031 0.000 1.158 37 A CA 1.539 53.591 52.037 0.025 0.000 0.661 37 A CB -0.575 18.431 19.000 0.009 0.000 0.801 37 A HN 0.875 nan 8.150 nan 0.000 0.452 38 K N -0.243 120.175 120.400 0.030 0.000 2.288 38 K HA -0.026 4.294 4.320 -0.001 0.000 0.201 38 K C 0.600 177.228 176.600 0.046 0.000 1.048 38 K CA 0.422 56.728 56.287 0.032 0.000 0.956 38 K CB -0.172 32.344 32.500 0.027 0.000 0.746 38 K HN 0.521 nan 8.250 nan 0.000 0.461 39 Q N 1.686 121.518 119.800 0.053 0.000 2.332 39 Q HA 0.115 4.455 4.340 -0.001 0.000 0.263 39 Q C -0.940 175.113 176.000 0.088 0.000 0.979 39 Q CA 0.217 56.061 55.803 0.069 0.000 0.885 39 Q CB 1.089 29.865 28.738 0.063 0.000 1.218 39 Q HN 0.131 nan 8.270 nan 0.000 0.405 40 K N 1.982 122.453 120.400 0.118 0.000 2.240 40 K HA 0.407 4.727 4.320 -0.001 0.000 0.271 40 K C -1.000 175.685 176.600 0.141 0.000 1.018 40 K CA -0.446 55.940 56.287 0.165 0.000 0.874 40 K CB 1.360 34.013 32.500 0.255 0.000 1.098 40 K HN 0.278 nan 8.250 nan 0.000 0.458 41 V N 3.071 123.057 119.914 0.119 0.000 2.581 41 V HA 0.370 4.490 4.120 -0.001 0.000 0.303 41 V C -0.344 175.761 176.094 0.018 0.000 1.041 41 V CA -0.977 61.357 62.300 0.058 0.000 0.907 41 V CB 1.954 33.817 31.823 0.066 0.000 0.994 41 V HN 0.427 nan 8.190 nan 0.000 0.442 42 V N 5.551 125.415 119.914 -0.084 0.000 2.407 42 V HA 0.467 4.587 4.120 -0.001 0.000 0.291 42 V C -0.236 175.788 176.094 -0.116 0.000 1.018 42 V CA -0.346 61.872 62.300 -0.138 0.000 0.842 42 V CB 1.650 33.277 31.823 -0.327 0.000 0.996 42 V HN 0.681 nan 8.190 nan 0.000 0.426 43 I N 5.315 125.827 120.570 -0.097 0.000 2.325 43 I HA 0.366 4.535 4.170 -0.001 0.000 0.291 43 I C -0.372 175.644 176.117 -0.168 0.000 1.019 43 I CA -0.459 60.778 61.300 -0.107 0.000 1.302 43 I CB 1.498 39.442 38.000 -0.093 0.000 1.401 43 I HN 0.255 nan 8.210 nan 0.000 0.485 44 V N 5.808 125.628 119.914 -0.158 0.000 2.357 44 V HA 0.476 4.596 4.120 -0.001 0.000 0.284 44 V C 0.100 176.110 176.094 -0.139 0.000 1.018 44 V CA -0.172 62.009 62.300 -0.199 0.000 0.841 44 V CB 1.549 33.250 31.823 -0.204 0.000 0.991 44 V HN 0.861 nan 8.190 nan 0.000 0.437 45 T N 3.490 117.948 114.554 -0.161 0.000 2.654 45 T HA 0.531 4.881 4.350 -0.001 0.000 0.289 45 T C -0.838 173.758 174.700 -0.173 0.000 1.062 45 T CA -0.600 61.428 62.100 -0.121 0.000 1.041 45 T CB 1.813 70.627 68.868 -0.090 0.000 1.417 45 T HN 0.820 nan 8.240 nan 0.000 0.510 46 N N -0.469 118.149 118.700 -0.138 0.000 2.518 46 N HA 0.360 5.100 4.740 -0.001 0.000 0.284 46 N C 0.721 176.117 175.510 -0.191 0.000 1.230 46 N CA -0.437 52.491 53.050 -0.204 0.000 0.941 46 N CB 0.081 38.513 38.487 -0.091 0.000 1.219 46 N HN 0.590 nan 8.380 nan 0.000 0.560 47 H N -1.112 117.929 119.070 -0.049 0.000 2.521 47 H HA -0.011 4.545 4.556 -0.001 0.000 0.286 47 H C 0.647 175.957 175.328 -0.030 0.000 1.034 47 H CA 1.497 57.517 56.048 -0.046 0.000 1.278 47 H CB -0.147 29.583 29.762 -0.054 0.000 1.386 47 H HN 0.618 nan 8.280 nan 0.000 0.567 48 T N 0.094 114.696 114.554 0.080 0.000 2.814 48 T HA -0.019 4.331 4.350 -0.001 0.000 0.254 48 T C 2.409 177.124 174.700 0.026 0.000 1.037 48 T CA 0.782 62.914 62.100 0.054 0.000 1.143 48 T CB -0.241 68.664 68.868 0.063 0.000 0.866 48 T HN 0.073 nan 8.240 nan 0.000 0.431 49 V N 2.022 121.957 119.914 0.035 0.000 2.515 49 V HA -0.086 4.034 4.120 -0.001 0.000 0.250 49 V C 2.833 178.925 176.094 -0.003 0.000 1.058 49 V CA 1.282 63.614 62.300 0.053 0.000 1.064 49 V CB -1.319 30.564 31.823 0.099 0.000 0.675 49 V HN 0.498 nan 8.190 nan 0.000 0.461 50 A N 1.695 124.500 122.820 -0.024 0.000 1.863 50 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 50 A C 0.770 178.313 177.584 -0.068 0.000 1.233 50 A CA 2.609 54.619 52.037 -0.045 0.000 0.655 50 A CB -2.247 16.731 19.000 -0.036 0.000 0.839 50 A HN 0.558 nan 8.150 nan 0.000 0.454 51 P HA -0.118 nan 4.420 nan 0.000 0.221 51 P C 1.490 178.690 177.300 -0.166 0.000 1.145 51 P CA 1.098 64.144 63.100 -0.089 0.000 0.795 51 P CB -0.198 31.463 31.700 -0.065 0.000 0.775 52 L N -2.207 118.860 121.223 -0.260 0.000 2.034 52 L HA -0.090 4.250 4.340 -0.001 0.000 0.203 52 L C 2.225 178.670 176.870 -0.708 0.000 1.074 52 L CA 1.640 56.134 54.840 -0.576 0.000 0.748 52 L CB -0.889 40.679 42.059 -0.819 0.000 0.905 52 L HN -0.071 nan 8.230 nan 0.000 0.439 53 Y N -1.484 118.778 120.300 -0.063 0.000 2.453 53 Y HA 0.360 4.910 4.550 -0.001 0.000 0.247 53 Y C 2.145 177.901 175.900 -0.240 0.000 1.124 53 Y CA -0.071 57.935 58.100 -0.157 0.000 1.243 53 Y CB -0.394 37.955 38.460 -0.186 0.000 1.213 53 Y HN -0.005 nan 8.280 nan 0.000 0.523 54 A N 1.240 124.015 122.820 -0.076 0.000 1.877 54 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 54 A C -0.218 177.291 177.584 -0.124 0.000 1.186 54 A CA 1.556 53.527 52.037 -0.110 0.000 0.620 54 A CB -1.599 17.347 19.000 -0.090 0.000 0.822 54 A HN 0.219 nan 8.150 nan 0.000 0.443 55 P HA -0.187 nan 4.420 nan 0.000 0.216 55 P C 1.748 179.002 177.300 -0.077 0.000 1.153 55 P CA 2.102 65.155 63.100 -0.079 0.000 0.858 55 P CB -0.132 31.536 31.700 -0.054 0.000 0.789 56 A N -0.534 122.244 122.820 -0.071 0.000 1.877 56 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 56 A C 2.103 179.625 177.584 -0.103 0.000 1.186 56 A CA 1.562 53.570 52.037 -0.048 0.000 0.620 56 A CB -1.486 17.515 19.000 0.001 0.000 0.822 56 A HN 0.038 nan 8.150 nan 0.000 0.443 57 I N 0.026 120.475 120.570 -0.202 0.000 2.252 57 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 57 I C 2.415 178.440 176.117 -0.153 0.000 1.102 57 I CA 1.059 62.247 61.300 -0.185 0.000 1.385 57 I CB -1.216 36.647 38.000 -0.229 0.000 1.064 57 I HN 0.303 nan 8.210 nan 0.000 0.414 58 I N 0.499 120.955 120.570 -0.191 0.000 2.286 58 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 58 I C 2.466 178.468 176.117 -0.192 0.000 1.115 58 I CA 1.193 62.318 61.300 -0.293 0.000 1.392 58 I CB -0.197 37.609 38.000 -0.324 0.000 1.065 58 I HN 0.149 nan 8.210 nan 0.000 0.418 59 S N 0.580 116.224 115.700 -0.094 0.000 2.406 59 S HA -0.107 4.363 4.470 -0.001 0.000 0.228 59 S C 1.851 176.458 174.600 0.011 0.000 1.020 59 S CA 0.783 58.968 58.200 -0.024 0.000 0.965 59 S CB -0.203 62.994 63.200 -0.005 0.000 0.798 59 S HN 0.248 nan 8.310 nan 0.000 0.488 60 L N 1.674 122.892 121.223 -0.008 0.000 2.093 60 L HA 0.077 4.416 4.340 -0.001 0.000 0.208 60 L C 1.856 178.760 176.870 0.057 0.000 1.085 60 L CA 1.522 56.377 54.840 0.025 0.000 0.755 60 L CB -0.532 41.533 42.059 0.011 0.000 0.904 60 L HN 0.294 nan 8.230 nan 0.000 0.435 61 L N -1.322 119.906 121.223 0.009 0.000 2.156 61 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 61 L C 1.992 178.910 176.870 0.080 0.000 1.095 61 L CA 0.654 55.514 54.840 0.034 0.000 0.770 61 L CB -0.656 41.397 42.059 -0.011 0.000 0.914 61 L HN 0.209 nan 8.230 nan 0.000 0.439 62 D N -0.925 119.519 120.400 0.074 0.000 2.149 62 D HA -0.190 4.450 4.640 -0.001 0.000 0.201 62 D C 1.952 178.310 176.300 0.097 0.000 0.972 62 D CA 1.151 55.212 54.000 0.101 0.000 0.835 62 D CB -0.079 40.778 40.800 0.094 0.000 0.966 62 D HN 0.373 nan 8.370 nan 0.000 0.476 63 H N 0.675 119.761 119.070 0.026 0.000 2.321 63 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 63 H C 2.111 177.455 175.328 0.027 0.000 1.087 63 H CA 1.434 57.497 56.048 0.025 0.000 1.319 63 H CB -0.270 29.504 29.762 0.021 0.000 1.379 63 H HN 0.054 nan 8.280 nan 0.000 0.501 64 I N -0.818 119.797 120.570 0.075 0.000 2.286 64 I HA -0.121 4.049 4.170 -0.001 0.000 0.248 64 I C 1.867 177.974 176.117 -0.017 0.000 1.115 64 I CA 1.369 62.681 61.300 0.020 0.000 1.392 64 I CB -0.178 37.865 38.000 0.072 0.000 1.065 64 I HN 0.683 nan 8.210 nan 0.000 0.418 65 G N -0.101 108.707 108.800 0.015 0.000 2.154 65 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.186 65 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.186 65 G C 0.194 175.122 174.900 0.047 0.000 1.000 65 G CA -0.272 44.839 45.100 0.018 0.000 0.664 65 G HN 0.318 nan 8.290 nan 0.000 0.513 66 C N 0.770 120.114 119.300 0.074 0.000 2.652 66 C HA 0.553 5.012 4.460 -0.001 0.000 0.412 66 C C 0.997 176.060 174.990 0.121 0.000 1.294 66 C CA -0.081 58.992 59.018 0.091 0.000 2.127 66 C CB 0.993 28.792 27.740 0.099 0.000 2.691 66 C HN 0.629 nan 8.230 nan 0.000 0.615 67 Q N 1.716 121.571 119.800 0.091 0.000 2.267 67 Q HA 0.411 4.751 4.340 -0.001 0.000 0.255 67 Q C -0.360 175.702 176.000 0.104 0.000 0.923 67 Q CA 0.017 55.848 55.803 0.046 0.000 0.925 67 Q CB 0.606 29.358 28.738 0.023 0.000 1.195 67 Q HN 0.964 nan 8.270 nan 0.000 0.417 68 H N 0.956 120.064 119.070 0.063 0.000 2.864 68 H HA 0.920 5.476 4.556 -0.000 0.000 0.354 68 H C -1.686 173.684 175.328 0.071 0.000 1.208 68 H CA -0.935 55.148 56.048 0.058 0.000 1.191 68 H CB 1.700 31.478 29.762 0.026 0.000 1.889 68 H HN 0.581 nan 8.280 nan 0.000 0.574 69 A N 0.847 123.802 122.820 0.225 0.000 2.589 69 A HA 0.543 4.862 4.320 -0.001 0.000 0.296 69 A C -2.092 175.554 177.584 0.104 0.000 1.062 69 A CA -0.694 51.446 52.037 0.171 0.000 0.686 69 A CB 1.676 20.799 19.000 0.205 0.000 1.282 69 A HN 0.695 nan 8.150 nan 0.000 0.404 70 L N 1.407 122.661 121.223 0.052 0.000 2.346 70 L HA 0.881 5.221 4.340 -0.001 0.000 0.276 70 L C -1.518 175.210 176.870 -0.236 0.000 1.006 70 L CA -0.726 54.068 54.840 -0.077 0.000 0.817 70 L CB 1.616 43.659 42.059 -0.027 0.000 1.272 70 L HN 0.752 nan 8.230 nan 0.000 0.421 71 L N 4.246 125.236 121.223 -0.387 0.000 2.372 71 L HA 0.537 4.877 4.340 -0.001 0.000 0.274 71 L C -1.015 175.639 176.870 -0.360 0.000 0.988 71 L CA -0.029 54.483 54.840 -0.547 0.000 0.833 71 L CB 1.751 43.231 42.059 -0.965 0.000 1.236 71 L HN 0.688 nan 8.230 nan 0.000 0.410 72 E N 6.106 126.124 120.200 -0.303 0.000 2.109 72 E HA 0.427 4.777 4.350 -0.001 0.000 0.278 72 E C -0.998 175.272 176.600 -0.551 0.000 0.954 72 E CA -0.495 55.664 56.400 -0.401 0.000 0.779 72 E CB 1.549 31.048 29.700 -0.335 0.000 1.093 72 E HN 0.557 nan 8.360 nan 0.000 0.401 73 L N 4.422 125.347 121.223 -0.497 0.000 2.399 73 L HA 0.432 4.772 4.340 -0.001 0.000 0.265 73 L C -2.012 174.563 176.870 -0.491 0.000 1.089 73 L CA -2.340 52.268 54.840 -0.387 0.000 0.802 73 L CB 0.565 42.493 42.059 -0.218 0.000 1.180 73 L HN 0.287 nan 8.230 nan 0.000 0.454 74 P HA -0.004 nan 4.420 nan 0.000 0.271 74 P C -1.149 176.052 177.300 -0.165 0.000 1.216 74 P CA -0.211 62.716 63.100 -0.288 0.000 0.776 74 P CB 0.632 31.821 31.700 -0.851 0.000 0.881 75 D N 1.527 121.933 120.400 0.009 0.000 2.317 75 D HA 0.459 5.099 4.640 -0.001 0.000 0.252 75 D C 0.174 176.636 176.300 0.271 0.000 1.174 75 D CA 0.553 54.620 54.000 0.111 0.000 0.866 75 D CB -0.033 40.831 40.800 0.105 0.000 1.127 75 D HN 0.633 nan 8.370 nan 0.000 0.467 76 G N 3.326 112.286 108.800 0.266 0.000 2.306 76 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.340 76 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.340 76 G C 0.341 175.328 174.900 0.146 0.000 1.630 76 G CA -0.122 45.120 45.100 0.235 0.000 0.937 76 G HN 0.366 nan 8.290 nan 0.000 0.693 77 E N 0.542 120.773 120.200 0.052 0.000 2.160 77 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 77 E C 2.486 179.042 176.600 -0.073 0.000 0.991 77 E CA 2.525 58.928 56.400 0.005 0.000 0.810 77 E CB -0.029 29.674 29.700 0.005 0.000 0.742 77 E HN 0.712 nan 8.360 nan 0.000 0.466 78 Q N -1.095 118.592 119.800 -0.190 0.000 2.291 78 Q HA -0.186 4.154 4.340 -0.001 0.000 0.206 78 Q C 0.800 176.561 176.000 -0.399 0.000 0.976 78 Q CA 1.354 56.947 55.803 -0.349 0.000 0.875 78 Q CB -0.394 28.038 28.738 -0.511 0.000 0.927 78 Q HN 0.422 nan 8.270 nan 0.000 0.450 79 Y N 0.714 121.017 120.300 0.004 0.000 2.468 79 Y HA 0.277 4.826 4.550 -0.001 0.000 0.268 79 Y C 0.495 176.400 175.900 0.009 0.000 1.177 79 Y CA -0.333 57.773 58.100 0.009 0.000 1.265 79 Y CB 0.468 38.938 38.460 0.017 0.000 1.103 79 Y HN -0.040 nan 8.280 nan 0.000 0.522 80 K N 2.407 122.857 120.400 0.083 0.000 2.480 80 K HA 0.107 4.426 4.320 -0.001 0.000 0.241 80 K C -0.080 176.536 176.600 0.026 0.000 1.261 80 K CA 0.017 56.337 56.287 0.055 0.000 1.193 80 K CB -0.439 32.069 32.500 0.014 0.000 1.598 80 K HN 0.279 nan 8.250 nan 0.000 0.278 81 T N -2.245 112.348 114.554 0.065 0.000 2.910 81 T HA 0.202 4.552 4.350 -0.001 0.000 0.287 81 T C 0.742 175.496 174.700 0.090 0.000 1.050 81 T CA -1.018 61.106 62.100 0.040 0.000 1.011 81 T CB 0.952 69.840 68.868 0.035 0.000 1.195 81 T HN 0.133 nan 8.240 nan 0.000 0.540 82 L N 0.606 121.861 121.223 0.053 0.000 2.141 82 L HA 0.148 4.488 4.340 -0.001 0.000 0.209 82 L C 2.657 179.651 176.870 0.206 0.000 1.094 82 L CA 1.832 56.726 54.840 0.090 0.000 0.763 82 L CB -1.001 41.067 42.059 0.016 0.000 0.908 82 L HN 0.957 nan 8.230 nan 0.000 0.437 83 E N -1.312 118.969 120.200 0.134 0.000 2.085 83 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 83 E C 1.726 178.413 176.600 0.145 0.000 0.994 83 E CA 1.846 58.324 56.400 0.129 0.000 0.801 83 E CB 0.036 29.791 29.700 0.092 0.000 0.743 83 E HN 0.509 nan 8.360 nan 0.000 0.453 84 T N 0.537 115.184 114.554 0.155 0.000 2.857 84 T HA -0.107 4.243 4.350 -0.001 0.000 0.266 84 T C 1.347 176.130 174.700 0.139 0.000 1.048 84 T CA 0.974 63.148 62.100 0.123 0.000 1.139 84 T CB -0.399 68.544 68.868 0.124 0.000 0.874 84 T HN 0.283 nan 8.240 nan 0.000 0.455 85 F N 3.076 123.051 119.950 0.040 0.000 2.095 85 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 85 F C 2.139 177.947 175.800 0.013 0.000 1.104 85 F CA 1.512 59.533 58.000 0.035 0.000 1.232 85 F CB -0.470 38.590 39.000 0.100 0.000 0.987 85 F HN 0.054 nan 8.300 nan 0.000 0.475 86 N N -0.194 118.618 118.700 0.186 0.000 2.149 86 N HA -0.177 4.563 4.740 -0.001 0.000 0.188 86 N C 1.673 177.169 175.510 -0.023 0.000 1.019 86 N CA 2.118 55.200 53.050 0.053 0.000 0.857 86 N CB -0.594 37.984 38.487 0.152 0.000 0.997 86 N HN 0.360 nan 8.380 nan 0.000 0.426 87 T N -0.458 114.102 114.554 0.009 0.000 2.720 87 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 87 T C 1.907 176.591 174.700 -0.027 0.000 1.037 87 T CA 1.377 63.481 62.100 0.006 0.000 1.144 87 T CB -0.353 68.517 68.868 0.003 0.000 0.864 87 T HN 0.042 nan 8.240 nan 0.000 0.444 88 V N 1.599 121.441 119.914 -0.120 0.000 2.358 88 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 88 V C 2.583 178.573 176.094 -0.174 0.000 1.047 88 V CA 1.277 63.469 62.300 -0.180 0.000 1.035 88 V CB -0.596 31.064 31.823 -0.272 0.000 0.658 88 V HN 0.421 nan 8.190 nan 0.000 0.452 89 M N 0.076 119.517 119.600 -0.264 0.000 2.067 89 M HA -0.137 4.343 4.480 -0.001 0.000 0.260 89 M C 2.481 178.764 176.300 -0.028 0.000 1.069 89 M CA 1.844 57.033 55.300 -0.185 0.000 1.117 89 M CB -1.593 30.885 32.600 -0.203 0.000 1.334 89 M HN 0.367 nan 8.290 nan 0.000 0.407 90 S N 0.607 116.311 115.700 0.007 0.000 2.374 90 S HA -0.181 4.289 4.470 -0.001 0.000 0.227 90 S C 1.749 176.403 174.600 0.090 0.000 1.037 90 S CA 1.472 59.702 58.200 0.049 0.000 1.024 90 S CB -0.632 62.600 63.200 0.054 0.000 0.861 90 S HN 0.429 nan 8.310 nan 0.000 0.456 91 F N 2.120 122.063 119.950 -0.012 0.000 2.075 91 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 91 F C 1.875 177.757 175.800 0.136 0.000 1.113 91 F CA 1.326 59.373 58.000 0.077 0.000 1.218 91 F CB -0.378 38.623 39.000 0.000 0.000 0.984 91 F HN 0.082 nan 8.300 nan 0.000 0.472 92 L N -0.147 121.151 121.223 0.125 0.000 2.079 92 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 92 L C 2.409 179.337 176.870 0.098 0.000 1.081 92 L CA 1.168 55.983 54.840 -0.041 0.000 0.752 92 L CB -0.718 40.914 42.059 -0.712 0.000 0.896 92 L HN 0.276 nan 8.230 nan 0.000 0.433 93 L N -0.370 120.910 121.223 0.094 0.000 2.095 93 L HA -0.145 4.195 4.340 -0.001 0.000 0.204 93 L C 2.696 179.562 176.870 -0.007 0.000 1.080 93 L CA 1.042 55.953 54.840 0.119 0.000 0.759 93 L CB -0.540 41.588 42.059 0.115 0.000 0.914 93 L HN 0.378 nan 8.230 nan 0.000 0.439 94 E N -0.327 119.816 120.200 -0.095 0.000 2.338 94 E HA -0.227 4.122 4.350 -0.001 0.000 0.197 94 E C 0.740 177.066 176.600 -0.457 0.000 1.007 94 E CA 1.260 57.503 56.400 -0.261 0.000 0.849 94 E CB -0.272 29.247 29.700 -0.300 0.000 0.774 94 E HN 0.617 nan 8.360 nan 0.000 0.506 95 H N 0.936 119.864 119.070 -0.237 0.000 2.487 95 H HA 0.220 4.776 4.556 -0.001 0.000 0.290 95 H C -0.389 174.709 175.328 -0.383 0.000 1.081 95 H CA -0.255 55.598 56.048 -0.326 0.000 1.116 95 H CB 0.219 29.749 29.762 -0.386 0.000 1.560 95 H HN 0.087 nan 8.280 nan 0.000 0.548 96 N N 0.496 119.120 118.700 -0.128 0.000 2.716 96 N HA -0.255 4.485 4.740 -0.001 0.000 0.250 96 N C -1.136 174.315 175.510 -0.099 0.000 1.033 96 N CA 0.707 53.701 53.050 -0.094 0.000 0.727 96 N CB -1.690 36.717 38.487 -0.133 0.000 0.950 96 N HN 0.471 nan 8.380 nan 0.000 0.541 97 Y N 0.672 121.015 120.300 0.072 0.000 2.359 97 Y HA 0.135 4.684 4.550 -0.000 0.000 0.330 97 Y C 1.663 177.687 175.900 0.208 0.000 1.143 97 Y CA -0.086 58.075 58.100 0.102 0.000 1.318 97 Y CB 0.716 39.194 38.460 0.030 0.000 1.234 97 Y HN 0.150 nan 8.280 nan 0.000 0.522 98 S N 2.654 118.530 115.700 0.294 0.000 2.671 98 S HA 0.365 4.835 4.470 -0.001 0.000 0.272 98 S C 0.941 175.691 174.600 0.249 0.000 1.174 98 S CA -0.845 57.479 58.200 0.206 0.000 1.004 98 S CB 0.985 64.256 63.200 0.118 0.000 1.077 98 S HN 0.755 nan 8.310 nan 0.000 0.553 99 R N 0.020 120.600 120.500 0.134 0.000 2.328 99 R HA 0.024 4.364 4.340 -0.001 0.000 0.207 99 R C 0.190 176.572 176.300 0.136 0.000 1.056 99 R CA 0.927 57.097 56.100 0.117 0.000 1.016 99 R CB -0.330 29.996 30.300 0.044 0.000 0.872 99 R HN 0.601 nan 8.270 nan 0.000 0.471 100 D N -0.092 120.389 120.400 0.135 0.000 2.339 100 D HA -0.010 4.630 4.640 -0.001 0.000 0.217 100 D C 0.427 176.808 176.300 0.136 0.000 1.050 100 D CA 0.155 54.226 54.000 0.118 0.000 0.856 100 D CB 0.214 41.069 40.800 0.092 0.000 0.922 100 D HN -0.072 nan 8.370 nan 0.000 0.518 101 V N 1.186 121.206 119.914 0.177 0.000 2.872 101 V HA 0.018 4.138 4.120 -0.001 0.000 0.307 101 V C -0.141 176.011 176.094 0.097 0.000 1.072 101 V CA 0.010 62.401 62.300 0.152 0.000 1.148 101 V CB 1.225 33.128 31.823 0.134 0.000 0.954 101 V HN -0.169 nan 8.190 nan 0.000 0.490 102 V N 6.992 126.942 119.914 0.060 0.000 2.384 102 V HA 0.407 4.527 4.120 -0.001 0.000 0.287 102 V C -0.131 175.976 176.094 0.022 0.000 1.020 102 V CA -0.540 61.797 62.300 0.060 0.000 0.850 102 V CB 1.611 33.469 31.823 0.057 0.000 0.987 102 V HN 0.676 nan 8.190 nan 0.000 0.436 103 V N 6.441 126.391 119.914 0.060 0.000 2.427 103 V HA 0.487 4.606 4.120 -0.001 0.000 0.286 103 V C -0.051 176.105 176.094 0.103 0.000 1.034 103 V CA -0.396 61.922 62.300 0.031 0.000 0.893 103 V CB 1.756 33.586 31.823 0.011 0.000 0.982 103 V HN 0.664 nan 8.190 nan 0.000 0.452 104 I N 4.051 124.644 120.570 0.038 0.000 2.355 104 I HA 0.539 4.708 4.170 -0.001 0.000 0.288 104 I C 0.440 176.588 176.117 0.052 0.000 0.999 104 I CA -0.498 60.832 61.300 0.050 0.000 1.163 104 I CB 1.651 39.648 38.000 -0.005 0.000 1.316 104 I HN 0.672 nan 8.210 nan 0.000 0.454 105 A N 7.633 130.534 122.820 0.135 0.000 2.391 105 A HA 0.509 4.829 4.320 -0.001 0.000 0.316 105 A C -0.712 176.910 177.584 0.063 0.000 1.381 105 A CA -0.299 51.802 52.037 0.107 0.000 0.998 105 A CB 0.159 19.286 19.000 0.212 0.000 1.147 105 A HN 0.590 nan 8.150 nan 0.000 0.545 106 L N 3.791 125.021 121.223 0.013 0.000 2.295 106 L HA 0.784 5.123 4.340 -0.001 0.000 0.281 106 L C 0.303 177.185 176.870 0.021 0.000 1.018 106 L CA 1.067 55.909 54.840 0.003 0.000 0.841 106 L CB 0.654 42.686 42.059 -0.044 0.000 1.218 106 L HN 1.045 nan 8.230 nan 0.000 0.424 107 G N 2.318 111.148 108.800 0.050 0.000 2.344 107 G HA2 0.390 4.350 3.960 -0.001 0.000 0.282 107 G HA3 0.390 4.350 3.960 -0.001 0.000 0.282 107 G C -0.482 174.462 174.900 0.073 0.000 1.281 107 G CA -0.274 44.864 45.100 0.063 0.000 0.877 107 G HN 0.826 nan 8.290 nan 0.000 0.494 108 G N -1.078 107.766 108.800 0.073 0.000 2.494 108 G HA2 0.523 4.483 3.960 -0.001 0.000 0.270 108 G HA3 0.523 4.483 3.960 -0.001 0.000 0.270 108 G C 1.450 176.391 174.900 0.069 0.000 1.423 108 G CA 0.632 45.777 45.100 0.075 0.000 1.055 108 G HN 1.687 nan 8.290 nan 0.000 0.536 109 G N -1.438 107.402 108.800 0.066 0.000 2.432 109 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.219 109 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.219 109 G C 1.638 176.566 174.900 0.047 0.000 1.135 109 G CA 1.274 46.409 45.100 0.057 0.000 0.767 109 G HN 0.392 nan 8.290 nan 0.000 0.550 110 V N 1.361 121.304 119.914 0.048 0.000 2.295 110 V HA -0.145 3.975 4.120 -0.001 0.000 0.246 110 V C 2.746 178.866 176.094 0.043 0.000 1.049 110 V CA 1.152 63.478 62.300 0.043 0.000 1.024 110 V CB -0.306 31.551 31.823 0.056 0.000 0.648 110 V HN 0.262 nan 8.190 nan 0.000 0.447 111 I N 0.875 121.471 120.570 0.043 0.000 2.252 111 I HA -0.118 4.051 4.170 -0.001 0.000 0.245 111 I C 2.633 178.777 176.117 0.045 0.000 1.102 111 I CA 1.861 63.180 61.300 0.032 0.000 1.385 111 I CB -1.866 36.146 38.000 0.020 0.000 1.064 111 I HN 0.381 nan 8.210 nan 0.000 0.414 112 G N 0.856 109.697 108.800 0.068 0.000 2.491 112 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 112 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 112 G C 1.342 176.287 174.900 0.075 0.000 1.180 112 G CA 1.064 46.227 45.100 0.104 0.000 0.774 112 G HN 0.290 nan 8.290 nan 0.000 0.562 113 D N -0.056 120.373 120.400 0.049 0.000 2.097 113 D HA -0.078 4.562 4.640 -0.001 0.000 0.195 113 D C 2.433 178.758 176.300 0.042 0.000 0.989 113 D CA 0.576 54.590 54.000 0.023 0.000 0.827 113 D CB -0.402 40.392 40.800 -0.011 0.000 0.966 113 D HN 0.286 nan 8.370 nan 0.000 0.456 114 L N 0.244 121.501 121.223 0.056 0.000 2.027 114 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 114 L C 2.162 179.095 176.870 0.104 0.000 1.074 114 L CA 0.954 55.864 54.840 0.117 0.000 0.745 114 L CB -0.013 42.104 42.059 0.097 0.000 0.898 114 L HN -0.104 nan 8.230 nan 0.000 0.433 115 V N -0.032 119.883 119.914 0.002 0.000 2.548 115 V HA -0.133 3.987 4.120 -0.001 0.000 0.249 115 V C 2.609 178.549 176.094 -0.256 0.000 1.055 115 V CA 1.528 63.773 62.300 -0.091 0.000 1.065 115 V CB -1.135 30.644 31.823 -0.072 0.000 0.681 115 V HN 0.644 nan 8.190 nan 0.000 0.462 116 G N -0.515 108.093 108.800 -0.319 0.000 2.421 116 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.216 116 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.216 116 G C 1.543 176.222 174.900 -0.369 0.000 1.171 116 G CA 1.011 45.666 45.100 -0.743 0.000 0.775 116 G HN 0.476 nan 8.290 nan 0.000 0.543 117 F N 2.505 122.324 119.950 -0.218 0.000 2.186 117 F HA 0.165 4.691 4.527 -0.000 0.000 0.299 117 F C 2.712 178.543 175.800 0.051 0.000 1.090 117 F CA 0.854 58.798 58.000 -0.092 0.000 1.307 117 F CB -0.343 38.633 39.000 -0.039 0.000 1.019 117 F HN 0.226 nan 8.300 nan 0.000 0.489 118 A N 0.384 123.196 122.820 -0.014 0.000 1.902 118 A HA -0.043 4.276 4.320 -0.001 0.000 0.217 118 A C 2.438 179.833 177.584 -0.315 0.000 1.181 118 A CA 1.773 53.662 52.037 -0.246 0.000 0.623 118 A CB -1.521 17.313 19.000 -0.276 0.000 0.818 118 A HN 0.453 nan 8.150 nan 0.000 0.443 119 A N -0.301 122.316 122.820 -0.337 0.000 1.969 119 A HA 0.220 4.540 4.320 -0.001 0.000 0.218 119 A C 2.445 179.744 177.584 -0.475 0.000 1.169 119 A CA 1.852 53.712 52.037 -0.296 0.000 0.635 119 A CB -0.846 17.967 19.000 -0.312 0.000 0.810 119 A HN 1.004 nan 8.150 nan 0.000 0.445 120 A N -1.225 121.121 122.820 -0.789 0.000 1.930 120 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 120 A C 2.168 179.395 177.584 -0.595 0.000 1.175 120 A CA 1.708 53.020 52.037 -1.209 0.000 0.627 120 A CB -0.944 17.575 19.000 -0.802 0.000 0.815 120 A HN 0.600 nan 8.150 nan 0.000 0.443 121 C N -2.934 116.109 119.300 -0.428 0.000 2.551 121 C HA 0.185 4.644 4.460 -0.001 0.000 0.277 121 C C 1.098 176.006 174.990 -0.137 0.000 1.349 121 C CA -0.695 58.170 59.018 -0.255 0.000 1.750 121 C CB -1.416 26.195 27.740 -0.214 0.000 2.058 121 C HN 0.571 nan 8.230 nan 0.000 0.518 122 Y N 2.976 123.128 120.300 -0.247 0.000 2.713 122 Y HA 0.091 4.641 4.550 -0.000 0.000 0.341 122 Y C 1.102 176.942 175.900 -0.098 0.000 1.167 122 Y CA 0.437 58.434 58.100 -0.171 0.000 1.503 122 Y CB -0.606 37.751 38.460 -0.171 0.000 1.199 122 Y HN 0.474 nan 8.280 nan 0.000 0.525 123 Q N 5.292 124.761 119.800 -0.552 0.000 2.461 123 Q HA -0.379 3.961 4.340 -0.001 0.000 0.273 123 Q C 0.334 176.221 176.000 -0.189 0.000 1.163 123 Q CA 1.017 56.575 55.803 -0.409 0.000 0.929 123 Q CB -1.025 27.406 28.738 -0.511 0.000 1.334 123 Q HN 1.001 nan 8.270 nan 0.000 0.499 124 R N -3.445 116.969 120.500 -0.143 0.000 3.936 124 R HA -0.157 4.183 4.340 -0.001 0.000 0.366 124 R C 0.378 176.648 176.300 -0.051 0.000 1.158 124 R CA 0.817 56.869 56.100 -0.081 0.000 0.969 124 R CB -2.107 28.167 30.300 -0.042 0.000 1.504 124 R HN 0.967 nan 8.270 nan 0.000 0.538 125 G N -0.645 108.115 108.800 -0.067 0.000 3.088 125 G HA2 0.266 4.226 3.960 -0.001 0.000 0.620 125 G HA3 0.266 4.226 3.960 -0.001 0.000 0.620 125 G C -0.618 174.375 174.900 0.156 0.000 1.375 125 G CA -0.504 44.600 45.100 0.007 0.000 1.016 125 G HN 0.758 nan 8.290 nan 0.000 0.590 126 V N -0.896 119.148 119.914 0.217 0.000 2.914 126 V HA 0.880 5.000 4.120 -0.001 0.000 0.314 126 V C -0.162 176.141 176.094 0.347 0.000 1.084 126 V CA -1.454 60.996 62.300 0.251 0.000 0.963 126 V CB 2.113 34.077 31.823 0.235 0.000 1.025 126 V HN 0.608 nan 8.190 nan 0.000 0.432 127 D N 2.961 123.514 120.400 0.255 0.000 2.443 127 D HA 0.433 5.073 4.640 -0.001 0.000 0.239 127 D C -0.459 176.024 176.300 0.305 0.000 1.136 127 D CA 0.868 55.006 54.000 0.230 0.000 0.879 127 D CB 0.785 41.651 40.800 0.112 0.000 1.195 127 D HN 0.761 nan 8.370 nan 0.000 0.443 128 F N 0.115 120.105 119.950 0.068 0.000 2.601 128 F HA 0.640 5.166 4.527 -0.001 0.000 0.309 128 F C -1.549 174.241 175.800 -0.017 0.000 1.089 128 F CA -1.199 56.824 58.000 0.038 0.000 0.940 128 F CB 1.002 40.051 39.000 0.081 0.000 1.273 128 F HN 0.147 nan 8.300 nan 0.000 0.450 129 I N 3.403 123.861 120.570 -0.187 0.000 2.406 129 I HA 0.320 4.490 4.170 -0.001 0.000 0.290 129 I C -0.612 175.400 176.117 -0.175 0.000 0.999 129 I CA -0.761 60.365 61.300 -0.289 0.000 1.124 129 I CB 1.960 39.896 38.000 -0.108 0.000 1.289 129 I HN 0.628 nan 8.210 nan 0.000 0.441 130 Q N 5.979 125.625 119.800 -0.257 0.000 2.259 130 Q HA 0.566 4.906 4.340 -0.001 0.000 0.249 130 Q C -0.696 175.306 176.000 0.004 0.000 0.914 130 Q CA -0.282 55.494 55.803 -0.045 0.000 0.904 130 Q CB 2.370 31.081 28.738 -0.045 0.000 1.213 130 Q HN 0.562 nan 8.270 nan 0.000 0.428 131 I N 4.223 124.825 120.570 0.053 0.000 2.796 131 I HA 0.220 4.390 4.170 -0.001 0.000 0.279 131 I C -2.342 173.829 176.117 0.090 0.000 1.289 131 I CA -1.905 59.445 61.300 0.084 0.000 1.021 131 I CB 1.381 39.424 38.000 0.072 0.000 1.414 131 I HN 0.269 nan 8.210 nan 0.000 0.562 132 P HA 0.106 nan 4.420 nan 0.000 0.271 132 P C 0.621 177.965 177.300 0.072 0.000 1.216 132 P CA 0.144 63.289 63.100 0.075 0.000 0.771 132 P CB 1.078 32.818 31.700 0.065 0.000 0.864 133 T N -1.995 112.603 114.554 0.072 0.000 3.084 133 T HA 0.166 4.515 4.350 -0.001 0.000 0.270 133 T C 0.523 175.268 174.700 0.075 0.000 1.008 133 T CA -0.136 62.001 62.100 0.060 0.000 0.900 133 T CB -0.547 68.369 68.868 0.080 0.000 1.084 133 T HN 0.503 nan 8.240 nan 0.000 0.538 134 T N -0.433 114.167 114.554 0.076 0.000 2.912 134 T HA 0.629 4.978 4.350 -0.001 0.000 0.288 134 T C 0.864 175.597 174.700 0.055 0.000 1.030 134 T CA -0.936 61.213 62.100 0.082 0.000 1.020 134 T CB 1.892 70.810 68.868 0.084 0.000 1.056 134 T HN -0.053 nan 8.240 nan 0.000 0.480 135 L N 2.045 123.286 121.223 0.030 0.000 2.042 135 L HA 0.096 4.435 4.340 -0.001 0.000 0.210 135 L C 2.265 179.133 176.870 -0.003 0.000 1.076 135 L CA 1.586 56.403 54.840 -0.039 0.000 0.749 135 L CB -1.093 40.821 42.059 -0.241 0.000 0.893 135 L HN 0.869 nan 8.230 nan 0.000 0.432 136 L N -0.936 120.298 121.223 0.019 0.000 1.989 136 L HA -0.267 4.072 4.340 -0.001 0.000 0.211 136 L C 2.659 179.576 176.870 0.079 0.000 1.071 136 L CA 2.028 56.905 54.840 0.063 0.000 0.749 136 L CB -0.446 41.662 42.059 0.082 0.000 0.890 136 L HN 0.596 nan 8.230 nan 0.000 0.431 137 S N -1.141 114.602 115.700 0.071 0.000 2.382 137 S HA -0.262 4.208 4.470 -0.001 0.000 0.228 137 S C 1.801 176.444 174.600 0.072 0.000 1.027 137 S CA 1.286 59.531 58.200 0.075 0.000 0.991 137 S CB -0.571 62.673 63.200 0.073 0.000 0.823 137 S HN 0.613 nan 8.310 nan 0.000 0.469 138 Q N 0.722 120.557 119.800 0.058 0.000 2.167 138 Q HA -0.020 4.319 4.340 -0.001 0.000 0.202 138 Q C 2.369 178.396 176.000 0.045 0.000 0.970 138 Q CA 1.682 57.511 55.803 0.042 0.000 0.855 138 Q CB -0.397 28.355 28.738 0.023 0.000 0.911 138 Q HN 0.772 nan 8.270 nan 0.000 0.438 139 V N -3.688 116.272 119.914 0.076 0.000 3.590 139 V HA 0.086 4.206 4.120 -0.001 0.000 0.265 139 V C 0.484 176.695 176.094 0.194 0.000 1.239 139 V CA 0.893 63.264 62.300 0.118 0.000 1.117 139 V CB 0.364 32.308 31.823 0.201 0.000 0.818 139 V HN 0.007 nan 8.190 nan 0.000 0.451 140 D N 0.322 120.820 120.400 0.163 0.000 2.602 140 D HA 0.168 4.808 4.640 -0.001 0.000 0.284 140 D C 2.256 178.633 176.300 0.128 0.000 1.065 140 D CA 1.247 55.351 54.000 0.173 0.000 0.923 140 D CB 0.417 41.312 40.800 0.158 0.000 1.373 140 D HN 0.381 nan 8.370 nan 0.000 0.492 141 S N 0.049 115.813 115.700 0.106 0.000 2.428 141 S HA -0.036 4.433 4.470 -0.001 0.000 0.230 141 S C 1.930 176.595 174.600 0.109 0.000 1.014 141 S CA 0.533 58.794 58.200 0.102 0.000 0.957 141 S CB -0.019 63.239 63.200 0.096 0.000 0.784 141 S HN 0.077 nan 8.310 nan 0.000 0.499 142 S N 0.715 116.474 115.700 0.098 0.000 2.419 142 S HA 0.013 4.483 4.470 -0.001 0.000 0.235 142 S C 0.661 175.358 174.600 0.162 0.000 1.019 142 S CA 0.577 58.839 58.200 0.104 0.000 0.982 142 S CB -0.004 63.238 63.200 0.070 0.000 0.789 142 S HN 0.256 nan 8.310 nan 0.000 0.490 143 V N -1.037 118.961 119.914 0.140 0.000 2.876 143 V HA 0.703 4.823 4.120 -0.001 0.000 0.312 143 V C 0.843 177.030 176.094 0.155 0.000 1.085 143 V CA -0.047 62.350 62.300 0.161 0.000 0.945 143 V CB 1.380 33.240 31.823 0.060 0.000 1.017 143 V HN 0.313 nan 8.190 nan 0.000 0.428 144 G N 1.999 110.907 108.800 0.181 0.000 2.278 144 G HA2 0.082 4.042 3.960 -0.001 0.000 0.210 144 G HA3 0.082 4.042 3.960 -0.001 0.000 0.210 144 G C 1.192 176.260 174.900 0.280 0.000 1.000 144 G CA 0.377 45.596 45.100 0.199 0.000 0.635 144 G HN 2.350 nan 8.290 nan 0.000 0.495 145 G N 0.128 109.072 108.800 0.240 0.000 2.166 145 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.260 145 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.260 145 G C 0.298 175.313 174.900 0.192 0.000 0.986 145 G CA 1.412 46.669 45.100 0.261 0.000 0.683 145 G HN 0.963 nan 8.290 nan 0.000 0.527 146 K N 1.401 121.849 120.400 0.080 0.000 2.379 146 K HA 0.454 4.774 4.320 -0.001 0.000 0.284 146 K C 0.647 177.195 176.600 -0.086 0.000 1.044 146 K CA 0.827 57.018 56.287 -0.161 0.000 0.974 146 K CB 0.626 33.041 32.500 -0.141 0.000 0.962 146 K HN 0.433 nan 8.250 nan 0.000 0.474 147 T N -0.897 113.564 114.554 -0.155 0.000 2.906 147 T HA 0.832 5.182 4.350 -0.001 0.000 0.295 147 T C -0.866 173.686 174.700 -0.246 0.000 1.061 147 T CA -0.931 61.117 62.100 -0.086 0.000 1.000 147 T CB 2.078 70.977 68.868 0.051 0.000 1.103 147 T HN 0.627 nan 8.240 nan 0.000 0.486 148 A N 0.931 123.598 122.820 -0.255 0.000 2.544 148 A HA 0.828 5.148 4.320 -0.001 0.000 0.291 148 A C -0.905 176.488 177.584 -0.318 0.000 1.055 148 A CA -0.347 51.426 52.037 -0.439 0.000 0.651 148 A CB 0.957 19.758 19.000 -0.332 0.000 1.296 148 A HN 2.138 nan 8.150 nan 0.000 0.431 149 V N -1.169 118.515 119.914 -0.382 0.000 3.102 149 V HA 0.775 4.895 4.120 -0.001 0.000 0.312 149 V C -0.686 175.303 176.094 -0.176 0.000 1.135 149 V CA -1.252 60.926 62.300 -0.202 0.000 1.022 149 V CB 1.962 33.696 31.823 -0.148 0.000 1.056 149 V HN 0.828 nan 8.190 nan 0.000 0.436 150 N N 1.243 119.881 118.700 -0.103 0.000 2.458 150 N HA 0.468 5.207 4.740 -0.001 0.000 0.271 150 N C -0.895 174.601 175.510 -0.023 0.000 1.210 150 N CA -0.333 52.671 53.050 -0.075 0.000 0.978 150 N CB 0.652 39.088 38.487 -0.085 0.000 1.206 150 N HN 1.015 nan 8.380 nan 0.000 0.536 151 H N 0.038 119.043 119.070 -0.108 0.000 2.768 151 H HA 0.285 4.841 4.556 -0.001 0.000 0.371 151 H C -1.953 173.329 175.328 -0.077 0.000 1.151 151 H CA -1.699 54.298 56.048 -0.085 0.000 1.165 151 H CB 2.263 31.973 29.762 -0.086 0.000 1.722 151 H HN 0.179 nan 8.280 nan 0.000 0.543 152 P HA -0.122 nan 4.420 nan 0.000 0.217 152 P C 1.421 178.757 177.300 0.060 0.000 1.151 152 P CA 1.220 64.245 63.100 -0.126 0.000 0.849 152 P CB 0.281 31.857 31.700 -0.207 0.000 0.787 153 L N -2.599 118.824 121.223 0.333 0.000 2.591 153 L HA 0.290 4.630 4.340 -0.001 0.000 0.228 153 L C 0.934 177.855 176.870 0.085 0.000 1.133 153 L CA -0.036 54.919 54.840 0.191 0.000 0.880 153 L CB -0.418 41.738 42.059 0.162 0.000 1.033 153 L HN 0.027 nan 8.230 nan 0.000 0.450 154 G N -0.028 108.820 108.800 0.080 0.000 2.503 154 G HA2 0.208 4.168 3.960 -0.001 0.000 0.305 154 G HA3 0.208 4.168 3.960 -0.001 0.000 0.305 154 G C -1.349 173.534 174.900 -0.029 0.000 1.575 154 G CA -0.778 44.320 45.100 -0.003 0.000 0.890 154 G HN -0.159 nan 8.290 nan 0.000 0.612 155 K N 1.607 121.968 120.400 -0.066 0.000 2.205 155 K HA 0.306 4.625 4.320 -0.001 0.000 0.279 155 K C 0.159 176.707 176.600 -0.087 0.000 1.027 155 K CA -0.705 55.526 56.287 -0.092 0.000 0.932 155 K CB 0.731 33.150 32.500 -0.135 0.000 1.032 155 K HN 0.490 nan 8.250 nan 0.000 0.466 156 N N 2.187 120.821 118.700 -0.111 0.000 2.727 156 N HA -0.184 4.556 4.740 -0.001 0.000 0.249 156 N C 0.026 175.441 175.510 -0.158 0.000 1.048 156 N CA 0.813 53.776 53.050 -0.145 0.000 0.714 156 N CB -0.433 37.982 38.487 -0.121 0.000 0.959 156 N HN 0.587 nan 8.380 nan 0.000 0.544 157 M N -0.878 118.630 119.600 -0.154 0.000 2.414 157 M HA 0.272 4.751 4.480 -0.001 0.000 0.251 157 M C 0.587 176.767 176.300 -0.200 0.000 1.116 157 M CA 0.399 55.606 55.300 -0.155 0.000 1.056 157 M CB 0.304 32.822 32.600 -0.136 0.000 1.388 157 M HN 0.108 nan 8.290 nan 0.000 0.487 158 I N 0.252 120.659 120.570 -0.271 0.000 2.389 158 I HA 0.688 4.858 4.170 -0.001 0.000 0.288 158 I C 0.375 176.068 176.117 -0.707 0.000 0.999 158 I CA -0.565 60.511 61.300 -0.373 0.000 1.129 158 I CB 1.711 39.521 38.000 -0.317 0.000 1.288 158 I HN 0.209 nan 8.210 nan 0.000 0.444 159 G N 4.211 112.577 108.800 -0.724 0.000 2.348 159 G HA2 0.799 4.759 3.960 -0.001 0.000 0.296 159 G HA3 0.799 4.759 3.960 -0.001 0.000 0.296 159 G C -2.146 172.569 174.900 -0.308 0.000 1.258 159 G CA 0.028 44.546 45.100 -0.970 0.000 0.868 159 G HN 0.865 nan 8.290 nan 0.000 0.488 160 A N -1.404 121.322 122.820 -0.157 0.000 2.608 160 A HA 0.712 5.031 4.320 -0.001 0.000 0.292 160 A C -2.021 175.516 177.584 -0.078 0.000 1.066 160 A CA -0.669 51.388 52.037 0.034 0.000 0.676 160 A CB 0.827 19.993 19.000 0.277 0.000 1.277 160 A HN 1.044 nan 8.150 nan 0.000 0.413 161 F N 1.333 121.385 119.950 0.169 0.000 2.390 161 F HA 0.560 5.086 4.527 -0.001 0.000 0.361 161 F C -0.438 175.534 175.800 0.286 0.000 1.124 161 F CA 0.428 58.535 58.000 0.177 0.000 1.149 161 F CB 0.919 39.991 39.000 0.120 0.000 1.160 161 F HN 0.512 nan 8.300 nan 0.000 0.501 162 Y N 3.405 123.850 120.300 0.242 0.000 2.396 162 Y HA 0.358 4.908 4.550 -0.001 0.000 0.332 162 Y C -0.881 175.180 175.900 0.269 0.000 1.034 162 Y CA -1.058 57.178 58.100 0.227 0.000 1.057 162 Y CB 1.137 39.700 38.460 0.170 0.000 1.220 162 Y HN 0.405 nan 8.280 nan 0.000 0.440 163 Q N 6.934 126.639 119.800 -0.159 0.000 2.230 163 Q HA 0.421 4.761 4.340 -0.001 0.000 0.248 163 Q C -2.472 173.293 176.000 -0.392 0.000 0.915 163 Q CA -1.950 53.731 55.803 -0.203 0.000 0.900 163 Q CB 1.403 30.045 28.738 -0.160 0.000 1.229 163 Q HN 0.444 nan 8.270 nan 0.000 0.439 164 P HA 0.223 nan 4.420 nan 0.000 0.278 164 P C 0.187 177.047 177.300 -0.734 0.000 1.258 164 P CA -0.450 62.000 63.100 -1.084 0.000 0.811 164 P CB 1.191 32.119 31.700 -1.287 0.000 1.063 165 K N -0.475 119.623 120.400 -0.502 0.000 2.305 165 K HA 0.288 4.608 4.320 -0.001 0.000 0.199 165 K C 0.802 177.309 176.600 -0.155 0.000 1.047 165 K CA 0.617 56.763 56.287 -0.235 0.000 0.976 165 K CB -0.129 32.295 32.500 -0.126 0.000 0.765 165 K HN 0.650 nan 8.250 nan 0.000 0.474 166 A N -0.299 122.376 122.820 -0.242 0.000 2.586 166 A HA 0.546 4.866 4.320 -0.001 0.000 0.291 166 A C -1.583 175.919 177.584 -0.138 0.000 1.062 166 A CA -0.666 51.323 52.037 -0.079 0.000 0.666 166 A CB 1.474 20.454 19.000 -0.033 0.000 1.281 166 A HN -0.158 nan 8.150 nan 0.000 0.421 167 V N 0.995 120.906 119.914 -0.004 0.000 2.525 167 V HA 0.527 4.647 4.120 -0.001 0.000 0.299 167 V C -0.730 175.374 176.094 0.017 0.000 1.034 167 V CA -0.532 61.761 62.300 -0.012 0.000 0.863 167 V CB 1.584 33.438 31.823 0.051 0.000 0.999 167 V HN 0.795 nan 8.190 nan 0.000 0.423 168 V N 6.555 126.484 119.914 0.025 0.000 2.370 168 V HA 0.543 4.662 4.120 -0.001 0.000 0.283 168 V C -0.229 175.891 176.094 0.043 0.000 1.023 168 V CA -0.347 61.979 62.300 0.044 0.000 0.857 168 V CB 1.727 33.610 31.823 0.100 0.000 0.985 168 V HN 0.699 nan 8.190 nan 0.000 0.443 169 I N 3.888 124.440 120.570 -0.030 0.000 2.420 169 I HA 0.355 4.524 4.170 -0.001 0.000 0.282 169 I C -0.872 175.120 176.117 -0.209 0.000 1.019 169 I CA -0.330 60.924 61.300 -0.077 0.000 1.130 169 I CB 1.738 39.706 38.000 -0.052 0.000 1.262 169 I HN 0.500 nan 8.210 nan 0.000 0.454 170 D N 4.628 124.773 120.400 -0.425 0.000 2.412 170 D HA 0.105 4.744 4.640 -0.001 0.000 0.224 170 D C 1.434 177.500 176.300 -0.390 0.000 1.093 170 D CA -0.298 53.324 54.000 -0.630 0.000 0.850 170 D CB 1.414 41.287 40.800 -1.545 0.000 1.046 170 D HN 0.641 nan 8.370 nan 0.000 0.507 171 T N 0.458 114.882 114.554 -0.216 0.000 2.996 171 T HA -0.177 4.172 4.350 -0.001 0.000 0.271 171 T C 0.996 175.641 174.700 -0.091 0.000 1.126 171 T CA 0.766 62.805 62.100 -0.102 0.000 1.103 171 T CB 0.036 68.883 68.868 -0.035 0.000 0.870 171 T HN 0.200 nan 8.240 nan 0.000 0.528 172 D N 1.195 121.502 120.400 -0.155 0.000 2.269 172 D HA -0.024 4.615 4.640 -0.001 0.000 0.208 172 D C 2.342 178.614 176.300 -0.046 0.000 0.963 172 D CA 1.041 54.992 54.000 -0.081 0.000 0.864 172 D CB -0.531 40.225 40.800 -0.073 0.000 0.936 172 D HN 0.788 nan 8.370 nan 0.000 0.505 173 C N -0.336 118.858 119.300 -0.177 0.000 2.448 173 C HA 0.127 4.587 4.460 -0.001 0.000 0.280 173 C C 2.581 177.585 174.990 0.023 0.000 1.398 173 C CA -0.317 58.551 59.018 -0.250 0.000 1.774 173 C CB -1.523 25.838 27.740 -0.632 0.000 1.888 173 C HN 0.200 nan 8.230 nan 0.000 0.519 174 L N 1.560 122.805 121.223 0.036 0.000 2.275 174 L HA -0.091 4.248 4.340 -0.001 0.000 0.215 174 L C 2.814 179.734 176.870 0.083 0.000 1.119 174 L CA 1.617 56.526 54.840 0.116 0.000 0.790 174 L CB -1.080 41.089 42.059 0.183 0.000 0.919 174 L HN 0.372 nan 8.230 nan 0.000 0.443 175 T N -1.213 113.377 114.554 0.060 0.000 2.849 175 T HA -0.160 4.190 4.350 -0.001 0.000 0.270 175 T C 1.816 176.552 174.700 0.059 0.000 1.066 175 T CA 1.898 64.016 62.100 0.030 0.000 1.130 175 T CB -0.291 68.603 68.868 0.044 0.000 0.864 175 T HN 0.558 nan 8.240 nan 0.000 0.481 176 T N -0.882 113.752 114.554 0.134 0.000 3.086 176 T HA 0.307 4.657 4.350 -0.001 0.000 0.250 176 T C 0.492 175.265 174.700 0.121 0.000 1.074 176 T CA -0.443 61.732 62.100 0.125 0.000 0.988 176 T CB -0.268 68.698 68.868 0.163 0.000 0.988 176 T HN 0.109 nan 8.240 nan 0.000 0.530 177 L N 3.610 124.913 121.223 0.134 0.000 2.410 177 L HA 0.417 4.756 4.340 -0.001 0.000 0.273 177 L C -2.408 174.530 176.870 0.114 0.000 1.144 177 L CA -2.077 52.849 54.840 0.143 0.000 0.863 177 L CB 0.196 42.366 42.059 0.186 0.000 1.140 177 L HN -0.050 nan 8.230 nan 0.000 0.463 178 P HA 0.042 nan 4.420 nan 0.000 0.265 178 P C 0.219 177.587 177.300 0.112 0.000 1.187 178 P CA 0.362 63.513 63.100 0.085 0.000 0.766 178 P CB 0.630 32.377 31.700 0.079 0.000 0.820 179 A N 4.351 127.220 122.820 0.082 0.000 1.884 179 A HA -0.303 4.016 4.320 -0.001 0.000 0.219 179 A C 2.119 179.811 177.584 0.180 0.000 1.197 179 A CA 1.829 53.933 52.037 0.112 0.000 0.637 179 A CB -0.891 18.143 19.000 0.055 0.000 0.827 179 A HN 0.547 nan 8.150 nan 0.000 0.450 180 R N -0.836 119.735 120.500 0.118 0.000 2.081 180 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 180 R C 2.164 178.543 176.300 0.132 0.000 1.131 180 R CA 1.351 57.514 56.100 0.106 0.000 0.960 180 R CB -0.319 30.009 30.300 0.047 0.000 0.856 180 R HN 0.556 nan 8.270 nan 0.000 0.436 181 E N 0.218 120.499 120.200 0.135 0.000 2.077 181 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 181 E C 1.746 178.434 176.600 0.146 0.000 0.989 181 E CA 1.060 57.538 56.400 0.131 0.000 0.800 181 E CB -0.303 29.474 29.700 0.128 0.000 0.746 181 E HN 0.280 nan 8.360 nan 0.000 0.452 182 F N 1.521 121.500 119.950 0.047 0.000 2.102 182 F HA -0.185 4.342 4.527 -0.001 0.000 0.298 182 F C 2.324 178.139 175.800 0.025 0.000 1.105 182 F CA 1.608 59.614 58.000 0.008 0.000 1.239 182 F CB -0.219 38.758 39.000 -0.039 0.000 0.991 182 F HN -0.010 nan 8.300 nan 0.000 0.474 183 A N 0.475 123.465 122.820 0.284 0.000 1.877 183 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 183 A C 2.411 180.057 177.584 0.102 0.000 1.186 183 A CA 1.835 54.042 52.037 0.284 0.000 0.620 183 A CB -1.635 17.583 19.000 0.363 0.000 0.822 183 A HN 0.521 nan 8.150 nan 0.000 0.443 184 A N -0.462 122.406 122.820 0.081 0.000 1.917 184 A HA -0.008 4.312 4.320 -0.001 0.000 0.219 184 A C 2.424 180.027 177.584 0.031 0.000 1.182 184 A CA 2.211 54.284 52.037 0.060 0.000 0.633 184 A CB -1.476 17.572 19.000 0.079 0.000 0.819 184 A HN 0.829 nan 8.150 nan 0.000 0.448 185 G N -1.464 107.317 108.800 -0.032 0.000 2.422 185 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.218 185 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.218 185 G C 1.446 176.291 174.900 -0.091 0.000 1.140 185 G CA 1.090 46.147 45.100 -0.071 0.000 0.775 185 G HN 0.345 nan 8.290 nan 0.000 0.545 186 M N 1.176 120.687 119.600 -0.148 0.000 2.279 186 M HA 0.026 4.506 4.480 -0.001 0.000 0.264 186 M C 2.945 179.260 176.300 0.026 0.000 1.062 186 M CA 1.041 56.302 55.300 -0.066 0.000 1.099 186 M CB -0.993 31.610 32.600 0.006 0.000 1.394 186 M HN 0.341 nan 8.290 nan 0.000 0.426 187 A N 0.269 123.109 122.820 0.033 0.000 1.908 187 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 187 A C 2.063 179.672 177.584 0.041 0.000 1.181 187 A CA 1.575 53.636 52.037 0.039 0.000 0.627 187 A CB -0.457 18.559 19.000 0.027 0.000 0.818 187 A HN 0.433 nan 8.150 nan 0.000 0.445 188 E N -0.228 120.000 120.200 0.046 0.000 2.107 188 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 188 E C 2.243 178.885 176.600 0.069 0.000 0.982 188 E CA 1.142 57.554 56.400 0.021 0.000 0.809 188 E CB -0.676 29.069 29.700 0.076 0.000 0.756 188 E HN 0.404 nan 8.360 nan 0.000 0.459 189 V N 1.913 121.929 119.914 0.170 0.000 2.287 189 V HA -0.252 3.868 4.120 -0.001 0.000 0.248 189 V C 2.455 178.731 176.094 0.302 0.000 1.053 189 V CA 1.575 64.068 62.300 0.322 0.000 1.027 189 V CB -0.494 31.452 31.823 0.205 0.000 0.646 189 V HN 0.198 nan 8.190 nan 0.000 0.447 190 I N -0.195 120.460 120.570 0.142 0.000 2.286 190 I HA -0.268 3.902 4.170 -0.001 0.000 0.248 190 I C 2.576 178.806 176.117 0.189 0.000 1.115 190 I CA 1.707 63.076 61.300 0.115 0.000 1.392 190 I CB -0.461 37.577 38.000 0.063 0.000 1.065 190 I HN 0.318 nan 8.210 nan 0.000 0.418 191 K N 0.884 121.346 120.400 0.103 0.000 2.044 191 K HA -0.250 4.069 4.320 -0.001 0.000 0.210 191 K C 2.241 178.905 176.600 0.107 0.000 1.049 191 K CA 1.951 58.265 56.287 0.045 0.000 0.927 191 K CB -0.259 32.176 32.500 -0.108 0.000 0.713 191 K HN 0.181 nan 8.250 nan 0.000 0.443 192 Y N 0.250 120.707 120.300 0.261 0.000 2.165 192 Y HA -0.117 4.433 4.550 -0.001 0.000 0.286 192 Y C 2.564 178.701 175.900 0.394 0.000 1.155 192 Y CA 1.505 59.783 58.100 0.296 0.000 1.164 192 Y CB -1.038 37.597 38.460 0.291 0.000 0.978 192 Y HN 0.251 nan 8.280 nan 0.000 0.513 193 G N 0.117 109.283 108.800 0.610 0.000 2.446 193 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 193 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 193 G C 1.733 176.884 174.900 0.419 0.000 1.168 193 G CA 1.345 46.784 45.100 0.565 0.000 0.771 193 G HN 0.407 nan 8.290 nan 0.000 0.551 194 I N 1.337 122.111 120.570 0.340 0.000 2.179 194 I HA -0.126 4.043 4.170 -0.001 0.000 0.242 194 I C 2.713 178.904 176.117 0.124 0.000 1.088 194 I CA 1.366 62.747 61.300 0.135 0.000 1.357 194 I CB -0.207 37.861 38.000 0.114 0.000 1.051 194 I HN 0.353 nan 8.210 nan 0.000 0.409 195 I N -3.224 117.459 120.570 0.189 0.000 2.876 195 I HA -0.139 4.031 4.170 -0.001 0.000 0.264 195 I C 2.116 178.398 176.117 0.274 0.000 1.204 195 I CA 1.423 62.838 61.300 0.191 0.000 1.485 195 I CB -0.083 38.023 38.000 0.176 0.000 1.103 195 I HN 0.172 nan 8.210 nan 0.000 0.446 196 Y N 0.118 120.510 120.300 0.152 0.000 2.460 196 Y HA 0.330 4.880 4.550 -0.000 0.000 0.276 196 Y C -0.409 175.574 175.900 0.139 0.000 1.119 196 Y CA -0.556 57.625 58.100 0.134 0.000 1.181 196 Y CB 1.031 39.579 38.460 0.147 0.000 1.304 196 Y HN 0.071 nan 8.280 nan 0.000 0.536 197 D N -0.063 120.510 120.400 0.289 0.000 2.421 197 D HA 0.172 4.812 4.640 -0.001 0.000 0.254 197 D C 0.401 176.869 176.300 0.280 0.000 1.238 197 D CA 0.161 54.303 54.000 0.237 0.000 0.919 197 D CB 1.924 42.919 40.800 0.324 0.000 1.152 197 D HN 0.115 nan 8.370 nan 0.000 0.552 198 S N 2.572 118.371 115.700 0.166 0.000 2.368 198 S HA -0.136 4.333 4.470 -0.001 0.000 0.225 198 S C 1.947 176.696 174.600 0.249 0.000 1.030 198 S CA 1.631 59.931 58.200 0.167 0.000 0.999 198 S CB 0.067 63.312 63.200 0.074 0.000 0.844 198 S HN 0.550 nan 8.310 nan 0.000 0.459 199 A N 0.499 123.456 122.820 0.229 0.000 1.902 199 A HA 0.006 4.326 4.320 -0.001 0.000 0.217 199 A C 1.955 179.768 177.584 0.383 0.000 1.181 199 A CA 1.524 53.715 52.037 0.256 0.000 0.623 199 A CB -1.021 18.099 19.000 0.200 0.000 0.818 199 A HN 0.653 nan 8.150 nan 0.000 0.443 200 F N -0.618 119.474 119.950 0.237 0.000 2.234 200 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 200 F C 1.774 177.789 175.800 0.360 0.000 1.087 200 F CA 0.984 59.151 58.000 0.277 0.000 1.340 200 F CB -0.528 38.584 39.000 0.187 0.000 1.031 200 F HN 0.299 nan 8.300 nan 0.000 0.500 201 F N 1.192 121.219 119.950 0.129 0.000 2.102 201 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 201 F C 2.173 177.991 175.800 0.029 0.000 1.105 201 F CA 2.041 60.048 58.000 0.011 0.000 1.239 201 F CB -0.546 38.488 39.000 0.057 0.000 0.991 201 F HN -0.119 nan 8.300 nan 0.000 0.474 202 D N -0.584 119.990 120.400 0.291 0.000 2.144 202 D HA -0.253 4.387 4.640 -0.001 0.000 0.199 202 D C 1.786 178.136 176.300 0.082 0.000 0.984 202 D CA 1.411 55.518 54.000 0.178 0.000 0.834 202 D CB -0.912 40.012 40.800 0.206 0.000 0.955 202 D HN 0.554 nan 8.370 nan 0.000 0.465 203 W N 1.372 122.655 121.300 -0.028 0.000 2.358 203 W HA -0.083 4.577 4.660 -0.000 0.000 0.303 203 W C 1.991 178.420 176.519 -0.150 0.000 1.208 203 W CA 1.001 58.321 57.345 -0.042 0.000 1.274 203 W CB -0.288 29.231 29.460 0.098 0.000 1.138 203 W HN -0.096 nan 8.180 nan 0.000 0.515 204 L N 0.408 121.609 121.223 -0.036 0.000 2.046 204 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 204 L C 2.460 179.104 176.870 -0.377 0.000 1.077 204 L CA 1.771 56.452 54.840 -0.265 0.000 0.747 204 L CB -0.961 40.852 42.059 -0.411 0.000 0.896 204 L HN 0.030 nan 8.230 nan 0.000 0.432 205 E N 0.089 120.045 120.200 -0.406 0.000 2.097 205 E HA -0.263 4.086 4.350 -0.001 0.000 0.196 205 E C 2.226 178.668 176.600 -0.262 0.000 1.000 205 E CA 1.375 57.582 56.400 -0.322 0.000 0.804 205 E CB -0.165 29.400 29.700 -0.225 0.000 0.740 205 E HN 0.531 nan 8.360 nan 0.000 0.454 206 A N 0.549 123.193 122.820 -0.293 0.000 2.016 206 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 206 A C 1.796 179.149 177.584 -0.386 0.000 1.162 206 A CA 0.839 52.696 52.037 -0.300 0.000 0.662 206 A CB 0.183 19.011 19.000 -0.287 0.000 0.812 206 A HN 0.065 nan 8.150 nan 0.000 0.450 207 Q N -1.117 118.343 119.800 -0.566 0.000 2.219 207 Q HA 0.240 4.580 4.340 -0.001 0.000 0.209 207 Q C 1.369 177.198 176.000 -0.285 0.000 0.854 207 Q CA -0.176 55.287 55.803 -0.566 0.000 0.960 207 Q CB 0.244 28.282 28.738 -1.167 0.000 1.116 207 Q HN 0.513 nan 8.270 nan 0.000 0.500 208 M N 0.769 120.257 119.600 -0.187 0.000 2.082 208 M HA -0.191 4.289 4.480 -0.001 0.000 0.258 208 M C 1.609 177.979 176.300 0.116 0.000 1.069 208 M CA 1.625 56.926 55.300 0.002 0.000 1.102 208 M CB -0.594 31.977 32.600 -0.049 0.000 1.336 208 M HN 0.187 nan 8.290 nan 0.000 0.404 209 E N 0.195 120.404 120.200 0.014 0.000 2.049 209 E HA -0.183 4.166 4.350 -0.001 0.000 0.198 209 E C 2.072 178.717 176.600 0.076 0.000 1.007 209 E CA 1.776 58.203 56.400 0.046 0.000 0.809 209 E CB -0.642 29.047 29.700 -0.017 0.000 0.749 209 E HN 0.541 nan 8.360 nan 0.000 0.450 210 A N 1.281 124.105 122.820 0.007 0.000 1.908 210 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 210 A C 2.469 180.092 177.584 0.065 0.000 1.181 210 A CA 1.356 53.398 52.037 0.009 0.000 0.627 210 A CB -0.778 18.191 19.000 -0.052 0.000 0.818 210 A HN 0.172 nan 8.150 nan 0.000 0.445 211 L N -2.443 118.843 121.223 0.104 0.000 2.017 211 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 211 L C 2.515 179.460 176.870 0.125 0.000 1.073 211 L CA 1.514 56.453 54.840 0.166 0.000 0.745 211 L CB -0.688 41.490 42.059 0.200 0.000 0.894 211 L HN 0.443 nan 8.230 nan 0.000 0.432 212 Y N -0.298 120.080 120.300 0.131 0.000 2.497 212 Y HA -0.120 4.429 4.550 -0.000 0.000 0.292 212 Y C 2.414 178.257 175.900 -0.095 0.000 1.137 212 Y CA 0.829 58.947 58.100 0.030 0.000 1.285 212 Y CB -0.392 38.147 38.460 0.131 0.000 0.991 212 Y HN 0.133 nan 8.280 nan 0.000 0.556 213 A N -0.580 122.279 122.820 0.064 0.000 2.208 213 A HA 0.157 4.476 4.320 -0.001 0.000 0.209 213 A C 1.100 178.657 177.584 -0.046 0.000 1.161 213 A CA 0.357 52.396 52.037 0.003 0.000 0.782 213 A CB -0.531 18.479 19.000 0.018 0.000 0.816 213 A HN 0.493 nan 8.150 nan 0.000 0.477 214 L N -0.622 120.561 121.223 -0.068 0.000 3.730 214 L HA -0.193 4.147 4.340 -0.001 0.000 0.410 214 L C -0.243 176.630 176.870 0.005 0.000 1.234 214 L CA 0.277 55.079 54.840 -0.063 0.000 0.911 214 L CB -2.266 39.720 42.059 -0.123 0.000 1.942 214 L HN 0.526 nan 8.230 nan 0.000 0.860 215 D N 0.605 121.025 120.400 0.034 0.000 2.450 215 D HA 0.071 4.711 4.640 -0.001 0.000 0.247 215 D C 1.362 177.704 176.300 0.070 0.000 1.162 215 D CA 0.331 54.358 54.000 0.046 0.000 0.879 215 D CB 0.763 41.595 40.800 0.053 0.000 1.163 215 D HN 0.280 nan 8.370 nan 0.000 0.472 216 E N 2.222 122.453 120.200 0.052 0.000 2.038 216 E HA -0.290 4.060 4.350 -0.001 0.000 0.195 216 E C 1.754 178.406 176.600 0.086 0.000 1.000 216 E CA 1.242 57.674 56.400 0.053 0.000 0.803 216 E CB 0.029 29.746 29.700 0.029 0.000 0.750 216 E HN 0.666 nan 8.360 nan 0.000 0.448 217 Q N 0.192 120.049 119.800 0.096 0.000 2.084 217 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 217 Q C 2.241 178.379 176.000 0.229 0.000 0.978 217 Q CA 1.374 57.256 55.803 0.132 0.000 0.844 217 Q CB -0.201 28.603 28.738 0.110 0.000 0.898 217 Q HN 0.245 nan 8.270 nan 0.000 0.426 218 A N 0.885 123.859 122.820 0.256 0.000 1.898 218 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 218 A C 2.093 179.944 177.584 0.446 0.000 1.181 218 A CA 1.038 53.338 52.037 0.439 0.000 0.620 218 A CB -0.666 18.497 19.000 0.272 0.000 0.819 218 A HN 0.262 nan 8.150 nan 0.000 0.442 219 L N -0.858 120.527 121.223 0.270 0.000 1.994 219 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 219 L C 2.851 179.821 176.870 0.167 0.000 1.071 219 L CA 1.898 56.868 54.840 0.217 0.000 0.745 219 L CB -1.137 41.013 42.059 0.151 0.000 0.892 219 L HN 0.336 nan 8.230 nan 0.000 0.431 220 T N -1.176 113.456 114.554 0.129 0.000 2.635 220 T HA -0.309 4.040 4.350 -0.001 0.000 0.267 220 T C 1.711 176.440 174.700 0.049 0.000 1.040 220 T CA 1.977 64.117 62.100 0.066 0.000 1.156 220 T CB -0.468 68.435 68.868 0.057 0.000 0.863 220 T HN 0.336 nan 8.240 nan 0.000 0.430 221 Y N 1.678 121.972 120.300 -0.010 0.000 2.181 221 Y HA -0.019 4.531 4.550 -0.000 0.000 0.288 221 Y C 2.462 178.234 175.900 -0.214 0.000 1.146 221 Y CA 0.984 58.995 58.100 -0.148 0.000 1.164 221 Y CB -0.589 37.753 38.460 -0.198 0.000 0.982 221 Y HN 0.191 nan 8.280 nan 0.000 0.515 222 A N 0.487 123.364 122.820 0.095 0.000 1.858 222 A HA -0.167 4.152 4.320 -0.001 0.000 0.216 222 A C 2.254 179.840 177.584 0.003 0.000 1.190 222 A CA 2.027 54.180 52.037 0.193 0.000 0.617 222 A CB -1.131 18.130 19.000 0.436 0.000 0.827 222 A HN 0.541 nan 8.150 nan 0.000 0.443 223 I N -0.127 120.438 120.570 -0.009 0.000 2.179 223 I HA -0.290 3.880 4.170 -0.001 0.000 0.242 223 I C 2.982 178.982 176.117 -0.195 0.000 1.088 223 I CA 1.114 62.375 61.300 -0.064 0.000 1.357 223 I CB -0.428 37.553 38.000 -0.031 0.000 1.051 223 I HN 0.360 nan 8.210 nan 0.000 0.409 224 A N 0.752 123.422 122.820 -0.250 0.000 1.908 224 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 224 A C 2.349 179.646 177.584 -0.478 0.000 1.181 224 A CA 2.010 53.852 52.037 -0.325 0.000 0.627 224 A CB -0.529 18.283 19.000 -0.314 0.000 0.818 224 A HN 0.288 nan 8.150 nan 0.000 0.445 225 R N -0.383 119.696 120.500 -0.702 0.000 2.115 225 R HA -0.033 4.306 4.340 -0.001 0.000 0.226 225 R C 1.890 177.702 176.300 -0.813 0.000 1.100 225 R CA 1.817 57.377 56.100 -0.901 0.000 0.980 225 R CB -1.449 27.980 30.300 -1.451 0.000 0.875 225 R HN 0.546 nan 8.270 nan 0.000 0.445 226 C N -1.014 117.879 119.300 -0.678 0.000 2.446 226 C HA -0.070 4.389 4.460 -0.001 0.000 0.277 226 C C 2.764 177.305 174.990 -0.748 0.000 1.275 226 C CA 0.740 59.284 59.018 -0.790 0.000 1.727 226 C CB -1.080 26.411 27.740 -0.415 0.000 2.010 226 C HN 0.628 nan 8.230 nan 0.000 0.486 227 C N 0.070 119.102 119.300 -0.447 0.000 2.425 227 C HA -0.138 4.322 4.460 -0.001 0.000 0.277 227 C C 2.750 177.547 174.990 -0.322 0.000 1.280 227 C CA 0.932 59.761 59.018 -0.313 0.000 1.744 227 C CB -1.520 26.093 27.740 -0.211 0.000 1.989 227 C HN 0.649 nan 8.230 nan 0.000 0.491 228 Q N 0.347 119.930 119.800 -0.361 0.000 2.046 228 Q HA -0.076 4.264 4.340 -0.001 0.000 0.200 228 Q C 2.190 178.008 176.000 -0.302 0.000 0.975 228 Q CA 1.309 56.931 55.803 -0.302 0.000 0.836 228 Q CB -0.163 28.396 28.738 -0.299 0.000 0.896 228 Q HN 0.671 nan 8.270 nan 0.000 0.428 229 I N 0.929 121.264 120.570 -0.392 0.000 2.127 229 I HA -0.334 3.836 4.170 -0.001 0.000 0.241 229 I C 2.540 178.422 176.117 -0.391 0.000 1.075 229 I CA 1.354 62.429 61.300 -0.376 0.000 1.334 229 I CB -0.305 37.483 38.000 -0.353 0.000 1.040 229 I HN 0.170 nan 8.210 nan 0.000 0.405 230 K N 1.096 121.273 120.400 -0.373 0.000 2.097 230 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 230 K C 2.172 178.683 176.600 -0.148 0.000 1.049 230 K CA 1.400 57.590 56.287 -0.162 0.000 0.933 230 K CB -0.093 32.371 32.500 -0.061 0.000 0.717 230 K HN 0.316 nan 8.250 nan 0.000 0.442 231 A N 1.255 123.968 122.820 -0.179 0.000 1.902 231 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 231 A C 1.832 179.333 177.584 -0.139 0.000 1.181 231 A CA 1.704 53.655 52.037 -0.144 0.000 0.623 231 A CB -0.426 18.471 19.000 -0.172 0.000 0.818 231 A HN 0.451 nan 8.150 nan 0.000 0.443 232 E N -0.448 119.647 120.200 -0.175 0.000 2.107 232 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 232 E C 1.985 178.482 176.600 -0.172 0.000 0.982 232 E CA 1.065 57.378 56.400 -0.145 0.000 0.809 232 E CB -0.193 29.444 29.700 -0.106 0.000 0.756 232 E HN 0.411 nan 8.360 nan 0.000 0.459 233 V N 0.952 120.699 119.914 -0.278 0.000 2.343 233 V HA -0.222 3.898 4.120 -0.001 0.000 0.247 233 V C 2.312 178.351 176.094 -0.093 0.000 1.051 233 V CA 1.301 63.469 62.300 -0.221 0.000 1.036 233 V CB -0.312 31.379 31.823 -0.220 0.000 0.654 233 V HN 0.130 nan 8.190 nan 0.000 0.451 234 V N 0.216 120.086 119.914 -0.074 0.000 2.453 234 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 234 V C 2.675 178.745 176.094 -0.040 0.000 1.048 234 V CA 1.723 64.001 62.300 -0.036 0.000 1.049 234 V CB -1.004 30.812 31.823 -0.011 0.000 0.672 234 V HN 0.546 nan 8.190 nan 0.000 0.457 235 A N -0.919 121.871 122.820 -0.051 0.000 1.933 235 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 235 A C 2.208 179.775 177.584 -0.028 0.000 1.175 235 A CA 1.468 53.480 52.037 -0.041 0.000 0.628 235 A CB -0.383 18.588 19.000 -0.047 0.000 0.814 235 A HN 0.507 nan 8.150 nan 0.000 0.444 236 Q N -0.449 119.338 119.800 -0.021 0.000 2.079 236 Q HA -0.190 4.149 4.340 -0.001 0.000 0.200 236 Q C 1.667 177.663 176.000 -0.007 0.000 0.974 236 Q CA 1.771 57.573 55.803 -0.002 0.000 0.840 236 Q CB -0.508 28.243 28.738 0.021 0.000 0.898 236 Q HN 0.737 nan 8.270 nan 0.000 0.430 237 D N 0.644 121.034 120.400 -0.015 0.000 2.182 237 D HA -0.171 4.468 4.640 -0.001 0.000 0.201 237 D C 1.396 177.680 176.300 -0.028 0.000 0.986 237 D CA 0.951 54.940 54.000 -0.018 0.000 0.847 237 D CB 0.212 40.999 40.800 -0.022 0.000 0.942 237 D HN 0.094 nan 8.370 nan 0.000 0.467 238 E N -0.291 119.889 120.200 -0.034 0.000 2.268 238 E HA -0.054 4.296 4.350 -0.001 0.000 0.195 238 E C 1.809 178.393 176.600 -0.027 0.000 0.995 238 E CA 0.752 57.129 56.400 -0.039 0.000 0.836 238 E CB 0.151 29.826 29.700 -0.042 0.000 0.763 238 E HN 0.305 nan 8.360 nan 0.000 0.491 239 K N -0.020 120.369 120.400 -0.018 0.000 2.078 239 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 239 K C 0.119 176.714 176.600 -0.008 0.000 1.043 239 K CA 0.704 56.984 56.287 -0.011 0.000 0.960 239 K CB 0.338 32.835 32.500 -0.005 0.000 0.761 239 K HN -0.019 nan 8.250 nan 0.000 0.448 240 E N 1.535 121.732 120.200 -0.004 0.000 2.437 240 E HA 0.106 4.455 4.350 -0.001 0.000 0.238 240 E C -1.442 175.158 176.600 -0.001 0.000 0.969 240 E CA -0.224 56.176 56.400 -0.000 0.000 0.759 240 E CB 1.818 31.522 29.700 0.007 0.000 1.283 240 E HN -0.042 nan 8.360 nan 0.000 0.416 241 S N 1.996 117.692 115.700 -0.007 0.000 2.752 241 S HA 0.138 4.607 4.470 -0.001 0.000 0.329 241 S C 0.872 175.472 174.600 -0.000 0.000 1.204 241 S CA 1.203 59.397 58.200 -0.009 0.000 1.252 241 S CB -0.367 62.825 63.200 -0.015 0.000 1.053 241 S HN 0.798 nan 8.310 nan 0.000 0.533 242 G N 4.440 113.243 108.800 0.005 0.000 3.953 242 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.175 242 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.175 242 G C 0.772 175.685 174.900 0.020 0.000 0.875 242 G CA 0.146 45.253 45.100 0.012 0.000 0.908 242 G HN 0.622 nan 8.290 nan 0.000 0.367 243 I N 1.184 121.768 120.570 0.024 0.000 2.614 243 I HA 0.104 4.273 4.170 -0.001 0.000 0.258 243 I C 2.464 178.596 176.117 0.026 0.000 1.189 243 I CA 1.254 62.576 61.300 0.038 0.000 1.462 243 I CB 0.011 38.042 38.000 0.051 0.000 1.092 243 I HN 0.201 nan 8.210 nan 0.000 0.442 244 R N 0.785 121.292 120.500 0.012 0.000 2.237 244 R HA -0.117 4.223 4.340 -0.001 0.000 0.219 244 R C 2.147 178.452 176.300 0.009 0.000 1.080 244 R CA 1.112 57.217 56.100 0.008 0.000 0.995 244 R CB -0.136 30.171 30.300 0.010 0.000 0.875 244 R HN 0.446 nan 8.270 nan 0.000 0.462 245 A N 1.030 123.857 122.820 0.012 0.000 1.972 245 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 245 A C 2.039 179.627 177.584 0.007 0.000 1.169 245 A CA 0.979 53.020 52.037 0.005 0.000 0.635 245 A CB -0.457 18.551 19.000 0.013 0.000 0.810 245 A HN 0.353 nan 8.150 nan 0.000 0.446 246 L N -0.535 120.704 121.223 0.028 0.000 2.263 246 L HA -0.212 4.127 4.340 -0.001 0.000 0.216 246 L C 2.150 179.037 176.870 0.028 0.000 1.111 246 L CA 0.846 55.714 54.840 0.047 0.000 0.773 246 L CB -0.628 41.481 42.059 0.082 0.000 0.906 246 L HN 0.403 nan 8.230 nan 0.000 0.439 247 L N -0.320 120.900 121.223 -0.004 0.000 2.456 247 L HA -0.130 4.210 4.340 -0.001 0.000 0.224 247 L C 1.355 178.148 176.870 -0.127 0.000 1.148 247 L CA 0.457 55.269 54.840 -0.046 0.000 0.825 247 L CB -0.459 41.582 42.059 -0.030 0.000 0.937 247 L HN 0.355 nan 8.230 nan 0.000 0.450 248 N N 0.631 119.248 118.700 -0.140 0.000 2.362 248 N HA 0.051 4.791 4.740 -0.001 0.000 0.204 248 N C 0.280 175.847 175.510 0.095 0.000 1.166 248 N CA -0.067 52.827 53.050 -0.260 0.000 0.831 248 N CB 0.029 38.416 38.487 -0.167 0.000 1.008 248 N HN 0.122 nan 8.380 nan 0.000 0.472 249 L N 0.642 121.951 121.223 0.143 0.000 2.601 249 L HA 0.142 4.482 4.340 -0.001 0.000 0.277 249 L C 1.356 178.414 176.870 0.313 0.000 1.219 249 L CA 0.971 55.931 54.840 0.200 0.000 0.915 249 L CB -0.216 41.925 42.059 0.137 0.000 1.160 249 L HN 0.445 nan 8.230 nan 0.000 0.494 250 G N 2.868 111.841 108.800 0.288 0.000 2.267 250 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.257 250 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.257 250 G C 0.988 176.043 174.900 0.258 0.000 0.998 250 G CA 0.736 45.993 45.100 0.262 0.000 0.620 250 G HN 0.830 nan 8.290 nan 0.000 0.529 251 H N 0.606 119.773 119.070 0.161 0.000 2.421 251 H HA 0.077 4.633 4.556 -0.001 0.000 0.298 251 H C 2.800 178.232 175.328 0.174 0.000 1.087 251 H CA 2.055 58.202 56.048 0.166 0.000 1.330 251 H CB -0.284 29.575 29.762 0.163 0.000 1.388 251 H HN 0.463 nan 8.280 nan 0.000 0.526 252 T N 0.174 114.879 114.554 0.252 0.000 2.643 252 T HA -0.135 4.215 4.350 -0.001 0.000 0.264 252 T C 1.656 176.418 174.700 0.103 0.000 1.045 252 T CA 1.430 63.591 62.100 0.102 0.000 1.155 252 T CB -0.459 68.380 68.868 -0.049 0.000 0.863 252 T HN 0.189 nan 8.240 nan 0.000 0.420 253 F N 1.415 121.471 119.950 0.177 0.000 2.146 253 F HA 0.107 4.633 4.527 -0.001 0.000 0.298 253 F C 2.718 178.616 175.800 0.163 0.000 1.096 253 F CA 0.871 59.012 58.000 0.234 0.000 1.275 253 F CB -1.073 38.040 39.000 0.189 0.000 1.008 253 F HN 0.226 nan 8.300 nan 0.000 0.480 254 G N -0.856 108.111 108.800 0.278 0.000 2.459 254 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.217 254 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.217 254 G C 1.710 176.606 174.900 -0.007 0.000 1.183 254 G CA 1.253 46.390 45.100 0.062 0.000 0.776 254 G HN 0.431 nan 8.290 nan 0.000 0.552 255 H N 1.412 120.481 119.070 -0.001 0.000 2.390 255 H HA -0.096 4.460 4.556 -0.001 0.000 0.298 255 H C 2.708 177.934 175.328 -0.171 0.000 1.106 255 H CA 1.705 57.740 56.048 -0.021 0.000 1.297 255 H CB -0.206 29.599 29.762 0.073 0.000 1.375 255 H HN 0.308 nan 8.280 nan 0.000 0.509 256 A N 1.058 123.807 122.820 -0.118 0.000 1.933 256 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 256 A C 2.769 179.997 177.584 -0.594 0.000 1.175 256 A CA 1.339 53.183 52.037 -0.323 0.000 0.628 256 A CB -0.632 18.286 19.000 -0.137 0.000 0.814 256 A HN 0.460 nan 8.150 nan 0.000 0.444 257 I N -0.528 119.731 120.570 -0.520 0.000 2.163 257 I HA -0.233 3.936 4.170 -0.001 0.000 0.240 257 I C 2.511 178.225 176.117 -0.672 0.000 1.081 257 I CA 1.501 62.410 61.300 -0.651 0.000 1.353 257 I CB -0.567 37.030 38.000 -0.671 0.000 1.054 257 I HN 0.415 nan 8.210 nan 0.000 0.407 258 E N 1.273 121.108 120.200 -0.609 0.000 2.038 258 E HA -0.248 4.102 4.350 -0.001 0.000 0.195 258 E C 2.357 178.350 176.600 -1.012 0.000 1.000 258 E CA 1.472 57.458 56.400 -0.691 0.000 0.803 258 E CB -0.282 29.066 29.700 -0.586 0.000 0.750 258 E HN 0.516 nan 8.360 nan 0.000 0.448 259 A N 1.082 123.236 122.820 -1.109 0.000 1.908 259 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 259 A C 1.972 179.102 177.584 -0.757 0.000 1.181 259 A CA 2.124 53.519 52.037 -1.070 0.000 0.627 259 A CB -0.738 17.461 19.000 -1.334 0.000 0.818 259 A HN 0.342 nan 8.150 nan 0.000 0.445 260 H N -1.310 117.296 119.070 -0.773 0.000 2.372 260 H HA 0.103 4.659 4.556 -0.001 0.000 0.301 260 H C 1.761 176.888 175.328 -0.336 0.000 1.065 260 H CA 1.545 57.345 56.048 -0.413 0.000 1.364 260 H CB -0.064 29.470 29.762 -0.381 0.000 1.406 260 H HN 0.282 nan 8.280 nan 0.000 0.521 261 M N 0.614 119.979 119.600 -0.393 0.000 2.659 261 M HA 0.173 4.653 4.480 -0.001 0.000 0.243 261 M C 0.503 176.654 176.300 -0.247 0.000 1.111 261 M CA 0.914 56.024 55.300 -0.318 0.000 1.070 261 M CB -0.702 31.664 32.600 -0.389 0.000 1.525 261 M HN 0.484 nan 8.290 nan 0.000 0.517 262 G N 0.989 109.600 108.800 -0.316 0.000 3.153 262 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.686 262 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.686 262 G C -0.950 173.851 174.900 -0.164 0.000 0.995 262 G CA -0.897 44.090 45.100 -0.189 0.000 0.783 262 G HN 0.382 nan 8.290 nan 0.000 0.551 263 Y N 0.976 121.236 120.300 -0.066 0.000 2.717 263 Y HA 0.290 4.840 4.550 -0.000 0.000 0.330 263 Y C 1.916 177.821 175.900 0.007 0.000 1.217 263 Y CA 1.941 60.025 58.100 -0.027 0.000 1.506 263 Y CB 1.100 39.540 38.460 -0.033 0.000 1.268 263 Y HN 1.954 nan 8.280 nan 0.000 0.561 264 G N 2.178 111.076 108.800 0.164 0.000 2.213 264 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.236 264 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.236 264 G C 1.194 176.160 174.900 0.110 0.000 0.991 264 G CA 0.463 45.639 45.100 0.127 0.000 0.629 264 G HN 0.629 nan 8.290 nan 0.000 0.517 265 N N -0.377 118.392 118.700 0.115 0.000 2.124 265 N HA 0.041 4.781 4.740 -0.001 0.000 0.188 265 N C 0.373 176.020 175.510 0.227 0.000 1.045 265 N CA 0.989 54.131 53.050 0.154 0.000 0.846 265 N CB -0.090 38.493 38.487 0.160 0.000 1.020 265 N HN 0.426 nan 8.380 nan 0.000 0.432 266 W N 1.470 122.747 121.300 -0.039 0.000 2.417 266 W HA 0.465 5.125 4.660 -0.001 0.000 0.317 266 W C -0.104 176.412 176.519 -0.004 0.000 1.121 266 W CA -0.562 56.767 57.345 -0.027 0.000 1.208 266 W CB 0.432 29.856 29.460 -0.060 0.000 1.253 266 W HN -0.018 nan 8.180 nan 0.000 0.533 267 L N 2.744 124.073 121.223 0.177 0.000 2.464 267 L HA 0.027 4.367 4.340 -0.001 0.000 0.264 267 L C 1.896 178.885 176.870 0.199 0.000 1.199 267 L CA -0.439 54.499 54.840 0.164 0.000 0.818 267 L CB 0.346 42.470 42.059 0.107 0.000 1.102 267 L HN 0.592 nan 8.230 nan 0.000 0.473 268 H N 1.495 120.635 119.070 0.116 0.000 2.387 268 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 268 H C 1.777 177.145 175.328 0.067 0.000 1.099 268 H CA 2.012 58.115 56.048 0.092 0.000 1.315 268 H CB 0.107 29.922 29.762 0.088 0.000 1.380 268 H HN 0.788 nan 8.280 nan 0.000 0.513 269 G N -0.261 108.581 108.800 0.070 0.000 2.408 269 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.217 269 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.217 269 G C 1.522 176.423 174.900 0.002 0.000 1.150 269 G CA 0.730 45.837 45.100 0.012 0.000 0.776 269 G HN 0.533 nan 8.290 nan 0.000 0.542 270 E N 0.545 120.774 120.200 0.049 0.000 2.072 270 E HA 0.010 4.360 4.350 -0.001 0.000 0.191 270 E C 2.880 179.626 176.600 0.244 0.000 0.985 270 E CA 0.758 57.198 56.400 0.065 0.000 0.801 270 E CB -0.152 29.506 29.700 -0.070 0.000 0.750 270 E HN 0.403 nan 8.360 nan 0.000 0.452 271 A N 0.933 123.919 122.820 0.277 0.000 1.969 271 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 271 A C 2.428 180.007 177.584 -0.007 0.000 1.169 271 A CA 0.809 52.970 52.037 0.207 0.000 0.635 271 A CB -0.373 18.642 19.000 0.024 0.000 0.810 271 A HN 0.105 nan 8.150 nan 0.000 0.445 272 V N -0.417 119.393 119.914 -0.174 0.000 2.515 272 V HA -0.171 3.949 4.120 -0.001 0.000 0.250 272 V C 2.788 178.860 176.094 -0.037 0.000 1.058 272 V CA 2.086 64.258 62.300 -0.214 0.000 1.064 272 V CB -0.429 31.177 31.823 -0.361 0.000 0.675 272 V HN 0.690 nan 8.190 nan 0.000 0.461 273 S N 0.332 116.042 115.700 0.017 0.000 2.348 273 S HA -0.181 4.288 4.470 -0.001 0.000 0.221 273 S C 2.189 176.831 174.600 0.069 0.000 1.033 273 S CA 1.725 59.953 58.200 0.047 0.000 1.010 273 S CB -0.344 62.889 63.200 0.054 0.000 0.891 273 S HN 0.590 nan 8.310 nan 0.000 0.442 274 A N 0.808 123.707 122.820 0.133 0.000 1.933 274 A HA 0.115 4.435 4.320 -0.001 0.000 0.218 274 A C 2.371 179.991 177.584 0.061 0.000 1.175 274 A CA 1.859 53.979 52.037 0.137 0.000 0.628 274 A CB -1.682 17.470 19.000 0.253 0.000 0.814 274 A HN 0.670 nan 8.150 nan 0.000 0.444 275 G N -1.236 107.613 108.800 0.081 0.000 2.422 275 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.218 275 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.218 275 G C 1.549 176.463 174.900 0.023 0.000 1.146 275 G CA 1.623 46.781 45.100 0.097 0.000 0.769 275 G HN 0.433 nan 8.290 nan 0.000 0.547 276 T N 0.702 115.281 114.554 0.041 0.000 2.777 276 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 276 T C 2.561 177.265 174.700 0.008 0.000 1.040 276 T CA 1.118 63.245 62.100 0.044 0.000 1.141 276 T CB -0.198 68.701 68.868 0.052 0.000 0.868 276 T HN 0.063 nan 8.240 nan 0.000 0.444 277 V N 1.640 121.550 119.914 -0.006 0.000 2.343 277 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 277 V C 2.465 178.577 176.094 0.030 0.000 1.051 277 V CA 1.719 64.031 62.300 0.020 0.000 1.036 277 V CB -0.580 31.258 31.823 0.024 0.000 0.654 277 V HN 0.503 nan 8.190 nan 0.000 0.451 278 M N -0.303 119.176 119.600 -0.201 0.000 2.159 278 M HA -0.132 4.347 4.480 -0.001 0.000 0.263 278 M C 2.368 178.349 176.300 -0.532 0.000 1.063 278 M CA 2.025 57.003 55.300 -0.536 0.000 1.110 278 M CB -0.580 31.311 32.600 -1.181 0.000 1.374 278 M HN 0.396 nan 8.290 nan 0.000 0.411 279 A N 0.537 123.150 122.820 -0.345 0.000 1.902 279 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 279 A C 2.396 179.996 177.584 0.027 0.000 1.181 279 A CA 1.942 53.967 52.037 -0.019 0.000 0.623 279 A CB -0.966 18.112 19.000 0.130 0.000 0.818 279 A HN 0.486 nan 8.150 nan 0.000 0.443 280 A N -0.349 122.510 122.820 0.065 0.000 1.877 280 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 280 A C 2.093 179.755 177.584 0.130 0.000 1.186 280 A CA 2.372 54.502 52.037 0.154 0.000 0.620 280 A CB -0.424 18.719 19.000 0.238 0.000 0.822 280 A HN 0.427 nan 8.150 nan 0.000 0.443 281 K N -0.527 119.901 120.400 0.047 0.000 2.097 281 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 281 K C 2.002 178.451 176.600 -0.252 0.000 1.049 281 K CA 2.021 58.083 56.287 -0.375 0.000 0.933 281 K CB -0.749 31.430 32.500 -0.535 0.000 0.717 281 K HN 0.440 nan 8.250 nan 0.000 0.442 282 T N 0.306 114.785 114.554 -0.126 0.000 2.720 282 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 282 T C 1.767 176.446 174.700 -0.035 0.000 1.037 282 T CA 1.394 63.467 62.100 -0.044 0.000 1.144 282 T CB -0.451 68.466 68.868 0.082 0.000 0.864 282 T HN 0.371 nan 8.240 nan 0.000 0.444 283 A N 1.167 123.978 122.820 -0.015 0.000 1.908 283 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 283 A C 2.282 179.839 177.584 -0.045 0.000 1.181 283 A CA 1.967 54.000 52.037 -0.006 0.000 0.627 283 A CB -0.770 18.242 19.000 0.020 0.000 0.818 283 A HN 0.568 nan 8.150 nan 0.000 0.445 284 Q N -0.421 119.323 119.800 -0.093 0.000 2.050 284 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 284 Q C 1.977 177.892 176.000 -0.141 0.000 0.980 284 Q CA 1.505 57.228 55.803 -0.134 0.000 0.840 284 Q CB -0.235 28.355 28.738 -0.246 0.000 0.898 284 Q HN 0.680 nan 8.270 nan 0.000 0.424 285 L N 0.560 121.682 121.223 -0.168 0.000 2.265 285 L HA -0.180 4.159 4.340 -0.001 0.000 0.215 285 L C 2.205 179.029 176.870 -0.077 0.000 1.117 285 L CA 0.735 55.494 54.840 -0.134 0.000 0.782 285 L CB -0.215 41.761 42.059 -0.138 0.000 0.914 285 L HN 0.266 nan 8.230 nan 0.000 0.441 286 Q N -0.271 119.496 119.800 -0.056 0.000 2.403 286 Q HA 0.094 4.433 4.340 -0.001 0.000 0.203 286 Q C 1.542 177.525 176.000 -0.028 0.000 0.932 286 Q CA 0.797 56.582 55.803 -0.030 0.000 0.945 286 Q CB 0.695 29.427 28.738 -0.010 0.000 1.045 286 Q HN 0.560 nan 8.270 nan 0.000 0.511 287 G N 0.933 109.709 108.800 -0.040 0.000 2.143 287 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.249 287 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.249 287 G C 0.770 175.657 174.900 -0.023 0.000 0.981 287 G CA 0.529 45.610 45.100 -0.033 0.000 0.665 287 G HN 0.394 nan 8.290 nan 0.000 0.528 288 L N -0.135 121.077 121.223 -0.019 0.000 2.270 288 L HA 0.378 4.718 4.340 -0.001 0.000 0.210 288 L C 1.637 178.500 176.870 -0.010 0.000 1.104 288 L CA 1.240 56.075 54.840 -0.009 0.000 0.804 288 L CB -0.223 41.837 42.059 0.001 0.000 0.937 288 L HN 0.642 nan 8.230 nan 0.000 0.450 289 I N -3.835 116.725 120.570 -0.015 0.000 3.095 289 I HA 0.490 4.660 4.170 -0.001 0.000 0.310 289 I C -1.471 174.636 176.117 -0.017 0.000 1.196 289 I CA -1.164 60.130 61.300 -0.011 0.000 0.985 289 I CB 2.083 40.084 38.000 0.002 0.000 1.250 289 I HN -0.165 nan 8.210 nan 0.000 0.446 290 D N 2.981 123.377 120.400 -0.007 0.000 2.478 290 D HA 0.562 5.201 4.640 -0.001 0.000 0.263 290 D C 1.066 177.374 176.300 0.014 0.000 1.153 290 D CA -0.215 53.780 54.000 -0.009 0.000 1.038 290 D CB 1.341 42.137 40.800 -0.006 0.000 1.120 290 D HN 0.728 nan 8.370 nan 0.000 0.564 291 A N 0.290 123.114 122.820 0.007 0.000 1.892 291 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 291 A C 2.090 179.737 177.584 0.104 0.000 1.188 291 A CA 2.960 55.020 52.037 0.038 0.000 0.631 291 A CB -1.452 17.561 19.000 0.021 0.000 0.822 291 A HN 0.690 nan 8.150 nan 0.000 0.447 292 S N -0.753 114.984 115.700 0.063 0.000 2.423 292 S HA -0.200 4.270 4.470 -0.001 0.000 0.231 292 S C 1.894 176.520 174.600 0.045 0.000 1.014 292 S CA 1.321 59.555 58.200 0.056 0.000 0.965 292 S CB -0.448 62.771 63.200 0.032 0.000 0.785 292 S HN 0.691 nan 8.310 nan 0.000 0.495 293 Q N -0.190 119.632 119.800 0.037 0.000 2.083 293 Q HA 0.037 4.376 4.340 -0.001 0.000 0.198 293 Q C 1.867 177.877 176.000 0.017 0.000 0.969 293 Q CA 1.430 57.230 55.803 -0.004 0.000 0.838 293 Q CB -0.325 28.401 28.738 -0.020 0.000 0.900 293 Q HN 0.680 nan 8.270 nan 0.000 0.436 294 F N 2.151 122.065 119.950 -0.060 0.000 2.102 294 F HA -0.212 4.315 4.527 -0.001 0.000 0.298 294 F C 2.023 177.812 175.800 -0.017 0.000 1.105 294 F CA 1.378 59.345 58.000 -0.054 0.000 1.239 294 F CB 0.032 38.984 39.000 -0.080 0.000 0.991 294 F HN -0.036 nan 8.300 nan 0.000 0.474 295 E N 0.617 120.829 120.200 0.020 0.000 2.118 295 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 295 E C 2.316 178.859 176.600 -0.096 0.000 0.992 295 E CA 1.335 57.700 56.400 -0.059 0.000 0.804 295 E CB -0.449 29.293 29.700 0.070 0.000 0.741 295 E HN 0.540 nan 8.360 nan 0.000 0.458 296 R N 0.088 120.563 120.500 -0.043 0.000 2.092 296 R HA 0.028 4.367 4.340 -0.001 0.000 0.231 296 R C 2.579 178.935 176.300 0.094 0.000 1.119 296 R CA 0.809 56.936 56.100 0.044 0.000 0.970 296 R CB -0.230 30.116 30.300 0.077 0.000 0.864 296 R HN 0.185 nan 8.270 nan 0.000 0.440 297 I N 0.625 121.163 120.570 -0.053 0.000 2.202 297 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 297 I C 2.328 178.371 176.117 -0.124 0.000 1.091 297 I CA 0.825 62.106 61.300 -0.031 0.000 1.368 297 I CB -0.241 37.670 38.000 -0.149 0.000 1.058 297 I HN 0.136 nan 8.210 nan 0.000 0.410 298 L N 1.437 122.449 121.223 -0.352 0.000 1.994 298 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 298 L C 2.594 179.373 176.870 -0.151 0.000 1.071 298 L CA 2.244 56.889 54.840 -0.324 0.000 0.745 298 L CB -0.836 40.927 42.059 -0.495 0.000 0.892 298 L HN 0.184 nan 8.230 nan 0.000 0.431 299 A N -0.483 122.269 122.820 -0.113 0.000 1.940 299 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 299 A C 2.427 179.961 177.584 -0.082 0.000 1.176 299 A CA 2.235 54.227 52.037 -0.074 0.000 0.631 299 A CB -1.000 17.973 19.000 -0.045 0.000 0.814 299 A HN 0.601 nan 8.150 nan 0.000 0.446 300 I N -0.761 119.776 120.570 -0.056 0.000 2.353 300 I HA -0.159 4.010 4.170 -0.001 0.000 0.248 300 I C 2.153 178.205 176.117 -0.108 0.000 1.119 300 I CA 0.933 62.168 61.300 -0.108 0.000 1.417 300 I CB -0.038 37.866 38.000 -0.160 0.000 1.078 300 I HN 0.321 nan 8.210 nan 0.000 0.421 301 L N 0.489 121.672 121.223 -0.066 0.000 2.093 301 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 301 L C 2.504 179.316 176.870 -0.096 0.000 1.085 301 L CA 1.276 56.082 54.840 -0.056 0.000 0.755 301 L CB -0.569 41.474 42.059 -0.027 0.000 0.904 301 L HN 0.143 nan 8.230 nan 0.000 0.435 302 K N 0.238 120.572 120.400 -0.110 0.000 2.057 302 K HA -0.225 4.094 4.320 -0.001 0.000 0.207 302 K C 2.169 178.622 176.600 -0.245 0.000 1.049 302 K CA 1.282 57.491 56.287 -0.130 0.000 0.931 302 K CB -0.095 32.345 32.500 -0.100 0.000 0.714 302 K HN 0.153 nan 8.250 nan 0.000 0.440 303 K N 0.717 120.956 120.400 -0.268 0.000 2.147 303 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 303 K C 1.479 177.654 176.600 -0.708 0.000 1.049 303 K CA 1.105 57.151 56.287 -0.402 0.000 0.936 303 K CB 0.028 32.369 32.500 -0.265 0.000 0.722 303 K HN 0.093 nan 8.250 nan 0.000 0.446 304 A N 0.556 123.100 122.820 -0.460 0.000 2.276 304 A HA 0.010 4.330 4.320 -0.001 0.000 0.212 304 A C -0.597 176.783 177.584 -0.341 0.000 1.230 304 A CA 0.092 51.902 52.037 -0.378 0.000 0.844 304 A CB -0.479 18.541 19.000 0.034 0.000 0.860 304 A HN 0.566 nan 8.150 nan 0.000 0.486 305 H N -1.878 117.070 119.070 -0.202 0.000 2.791 305 H HA -0.149 4.407 4.556 -0.001 0.000 0.302 305 H C -0.425 174.868 175.328 -0.058 0.000 1.198 305 H CA 1.043 57.007 56.048 -0.140 0.000 1.145 305 H CB -2.144 27.508 29.762 -0.183 0.000 1.385 305 H HN 0.470 nan 8.280 nan 0.000 0.409 306 L N 1.390 122.616 121.223 0.005 0.000 2.330 306 L HA 0.453 4.792 4.340 -0.001 0.000 0.271 306 L C -1.620 175.237 176.870 -0.020 0.000 1.013 306 L CA -1.918 52.925 54.840 0.004 0.000 0.816 306 L CB 1.517 43.588 42.059 0.021 0.000 1.287 306 L HN -0.122 nan 8.230 nan 0.000 0.435 307 P HA 0.032 nan 4.420 nan 0.000 0.271 307 P C 0.069 177.412 177.300 0.070 0.000 1.216 307 P CA -0.058 63.033 63.100 -0.016 0.000 0.771 307 P CB 1.251 32.871 31.700 -0.134 0.000 0.864 308 V N 0.109 120.070 119.914 0.078 0.000 3.398 308 V HA 0.351 4.471 4.120 -0.001 0.000 0.298 308 V C 0.754 176.915 176.094 0.111 0.000 1.496 308 V CA 0.038 62.385 62.300 0.078 0.000 1.044 308 V CB -0.335 31.503 31.823 0.026 0.000 0.880 308 V HN 0.345 nan 8.190 nan 0.000 0.443 309 R N 1.199 121.783 120.500 0.140 0.000 2.474 309 R HA 0.529 4.869 4.340 -0.001 0.000 0.295 309 R C -0.211 176.200 176.300 0.186 0.000 0.980 309 R CA -0.270 55.915 56.100 0.141 0.000 0.934 309 R CB 1.420 31.788 30.300 0.114 0.000 1.101 309 R HN 0.363 nan 8.270 nan 0.000 0.469 310 T N 6.299 120.941 114.554 0.147 0.000 2.905 310 T HA 0.054 4.404 4.350 -0.001 0.000 0.299 310 T C -2.291 172.520 174.700 0.185 0.000 1.024 310 T CA -0.427 61.774 62.100 0.169 0.000 1.151 310 T CB 0.467 69.405 68.868 0.117 0.000 0.987 310 T HN 0.460 nan 8.240 nan 0.000 0.535 311 P HA 0.077 nan 4.420 nan 0.000 0.262 311 P C 0.802 178.181 177.300 0.132 0.000 1.182 311 P CA 0.057 63.254 63.100 0.161 0.000 0.761 311 P CB 0.451 32.158 31.700 0.011 0.000 0.795 312 E N 2.054 122.332 120.200 0.130 0.000 2.114 312 E HA -0.259 4.091 4.350 -0.001 0.000 0.199 312 E C 0.562 177.212 176.600 0.083 0.000 1.008 312 E CA 1.642 58.100 56.400 0.097 0.000 0.810 312 E CB -0.284 29.469 29.700 0.088 0.000 0.739 312 E HN 0.569 nan 8.360 nan 0.000 0.456 313 N N -0.692 118.058 118.700 0.083 0.000 2.230 313 N HA 0.130 4.870 4.740 -0.001 0.000 0.202 313 N C -0.339 175.193 175.510 0.038 0.000 1.119 313 N CA -0.242 52.852 53.050 0.073 0.000 0.851 313 N CB 0.451 38.992 38.487 0.089 0.000 0.990 313 N HN -0.005 nan 8.380 nan 0.000 0.497 314 M N 1.431 121.029 119.600 -0.003 0.000 2.146 314 M HA 0.138 4.618 4.480 -0.001 0.000 0.357 314 M C 0.422 176.750 176.300 0.046 0.000 1.261 314 M CA -0.244 54.969 55.300 -0.145 0.000 1.106 314 M CB 0.969 33.419 32.600 -0.249 0.000 1.612 314 M HN 0.118 nan 8.290 nan 0.000 0.470 315 T N -0.437 114.124 114.554 0.012 0.000 2.881 315 T HA 0.246 4.596 4.350 -0.001 0.000 0.278 315 T C 0.722 175.584 174.700 0.270 0.000 0.982 315 T CA -0.698 61.482 62.100 0.133 0.000 0.989 315 T CB 0.778 69.700 68.868 0.091 0.000 1.058 315 T HN 0.587 nan 8.240 nan 0.000 0.529 316 F N 1.340 121.374 119.950 0.140 0.000 2.171 316 F HA 0.066 4.592 4.527 -0.000 0.000 0.300 316 F C 2.446 178.345 175.800 0.165 0.000 1.090 316 F CA 1.479 59.574 58.000 0.158 0.000 1.293 316 F CB -1.008 38.028 39.000 0.059 0.000 1.013 316 F HN 0.725 nan 8.300 nan 0.000 0.486 317 A N 0.414 123.222 122.820 -0.020 0.000 1.908 317 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 317 A C 2.006 179.489 177.584 -0.169 0.000 1.181 317 A CA 2.044 53.993 52.037 -0.148 0.000 0.627 317 A CB -1.119 17.874 19.000 -0.012 0.000 0.818 317 A HN 0.465 nan 8.150 nan 0.000 0.445 318 D N -0.737 119.588 120.400 -0.125 0.000 2.123 318 D HA -0.157 4.483 4.640 -0.001 0.000 0.196 318 D C 1.603 177.784 176.300 -0.199 0.000 0.992 318 D CA 1.240 55.111 54.000 -0.215 0.000 0.833 318 D CB -0.477 40.006 40.800 -0.529 0.000 0.954 318 D HN 0.517 nan 8.370 nan 0.000 0.455 319 F N 0.469 120.303 119.950 -0.194 0.000 2.102 319 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 319 F C 2.529 178.205 175.800 -0.207 0.000 1.105 319 F CA 0.774 58.686 58.000 -0.147 0.000 1.239 319 F CB -0.314 38.618 39.000 -0.112 0.000 0.991 319 F HN -0.118 nan 8.300 nan 0.000 0.474 320 M N -0.207 119.268 119.600 -0.208 0.000 2.159 320 M HA -0.222 4.258 4.480 -0.001 0.000 0.263 320 M C 2.232 178.428 176.300 -0.173 0.000 1.063 320 M CA 1.386 56.531 55.300 -0.259 0.000 1.110 320 M CB -1.415 30.920 32.600 -0.443 0.000 1.374 320 M HN 0.204 nan 8.290 nan 0.000 0.411 321 Q N 0.594 120.270 119.800 -0.206 0.000 2.096 321 Q HA -0.206 4.134 4.340 -0.001 0.000 0.208 321 Q C 1.764 177.572 176.000 -0.321 0.000 0.993 321 Q CA 1.997 57.631 55.803 -0.281 0.000 0.862 321 Q CB -0.380 28.137 28.738 -0.368 0.000 0.915 321 Q HN 0.603 nan 8.270 nan 0.000 0.416 322 H N -1.577 117.462 119.070 -0.052 0.000 2.562 322 H HA 0.202 4.758 4.556 -0.001 0.000 0.267 322 H C 1.659 177.008 175.328 0.036 0.000 0.959 322 H CA 0.949 57.008 56.048 0.017 0.000 1.204 322 H CB 0.245 30.014 29.762 0.012 0.000 1.430 322 H HN 0.371 nan 8.280 nan 0.000 0.545 323 M N -0.400 119.242 119.600 0.069 0.000 2.357 323 M HA 0.127 4.607 4.480 -0.001 0.000 0.266 323 M C 0.599 176.882 176.300 -0.028 0.000 1.095 323 M CA 1.110 56.413 55.300 0.005 0.000 1.156 323 M CB 0.591 33.153 32.600 -0.063 0.000 1.365 323 M HN 0.020 nan 8.290 nan 0.000 0.447 336 L N 3.478 124.719 121.223 0.030 0.000 2.465 336 L HA 0.542 4.882 4.340 -0.001 0.000 0.257 336 L C -0.626 176.289 176.870 0.074 0.000 0.988 336 L CA -1.347 53.527 54.840 0.056 0.000 0.827 336 L CB 2.557 44.668 42.059 0.086 0.000 1.397 336 L HN 0.241 nan 8.230 nan 0.000 0.410 337 V N 3.519 123.490 119.914 0.096 0.000 2.385 337 V HA 0.400 4.520 4.120 -0.001 0.000 0.269 337 V C -0.065 176.097 176.094 0.113 0.000 1.043 337 V CA -0.093 62.262 62.300 0.093 0.000 0.906 337 V CB 1.078 32.956 31.823 0.091 0.000 0.995 337 V HN 0.401 nan 8.190 nan 0.000 0.467 338 L N 7.698 128.975 121.223 0.090 0.000 2.381 338 L HA 0.590 4.929 4.340 -0.001 0.000 0.268 338 L C -2.453 174.456 176.870 0.065 0.000 0.997 338 L CA -2.010 52.881 54.840 0.085 0.000 0.818 338 L CB 2.942 45.045 42.059 0.074 0.000 1.310 338 L HN 0.381 nan 8.230 nan 0.000 0.416 339 P HA 0.126 nan 4.420 nan 0.000 0.275 339 P C 0.048 177.362 177.300 0.024 0.000 1.228 339 P CA -0.244 62.879 63.100 0.038 0.000 0.786 339 P CB 1.060 32.774 31.700 0.023 0.000 0.927 340 T N -2.351 112.212 114.554 0.015 0.000 3.132 340 T HA 0.383 4.733 4.350 -0.001 0.000 0.274 340 T C 0.437 175.132 174.700 -0.008 0.000 1.011 340 T CA -0.016 62.087 62.100 0.006 0.000 0.899 340 T CB -0.526 68.348 68.868 0.011 0.000 1.089 340 T HN 0.699 nan 8.240 nan 0.000 0.543 341 S N 0.090 115.777 115.700 -0.021 0.000 2.625 341 S HA 0.325 4.795 4.470 -0.001 0.000 0.268 341 S C -1.802 172.748 174.600 -0.083 0.000 1.075 341 S CA -1.209 56.964 58.200 -0.045 0.000 0.936 341 S CB -0.241 62.937 63.200 -0.037 0.000 1.190 341 S HN 0.226 nan 8.310 nan 0.000 0.474 342 I N 2.074 122.565 120.570 -0.131 0.000 2.282 342 I HA 0.573 4.743 4.170 -0.001 0.000 0.290 342 I C 1.257 177.296 176.117 -0.130 0.000 1.090 342 I CA 0.804 61.959 61.300 -0.242 0.000 1.231 342 I CB 0.354 38.089 38.000 -0.441 0.000 1.434 342 I HN 1.320 nan 8.210 nan 0.000 0.487 343 G N 3.868 112.634 108.800 -0.056 0.000 2.260 343 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.179 343 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.179 343 G C 0.183 175.090 174.900 0.012 0.000 1.002 343 G CA 0.012 45.124 45.100 0.019 0.000 0.677 343 G HN 0.607 nan 8.290 nan 0.000 0.486 344 T N -1.101 113.457 114.554 0.006 0.000 2.909 344 T HA 0.865 5.215 4.350 -0.001 0.000 0.299 344 T C -0.302 174.422 174.700 0.039 0.000 1.073 344 T CA 0.506 62.617 62.100 0.018 0.000 0.999 344 T CB 2.487 71.351 68.868 -0.007 0.000 1.098 344 T HN 1.645 nan 8.240 nan 0.000 0.477 345 S N 0.512 116.249 115.700 0.062 0.000 2.688 345 S HA 0.989 5.459 4.470 -0.001 0.000 0.275 345 S C -1.052 173.585 174.600 0.063 0.000 1.175 345 S CA -0.625 57.614 58.200 0.065 0.000 0.818 345 S CB 1.358 64.609 63.200 0.087 0.000 1.157 345 S HN 2.067 nan 8.310 nan 0.000 0.482 346 A N 0.051 122.907 122.820 0.059 0.000 2.608 346 A HA 0.668 4.987 4.320 -0.001 0.000 0.292 346 A C -1.440 176.175 177.584 0.050 0.000 1.066 346 A CA -0.673 51.395 52.037 0.052 0.000 0.676 346 A CB 1.007 20.030 19.000 0.039 0.000 1.277 346 A HN 1.285 nan 8.150 nan 0.000 0.413 347 V N 1.582 121.522 119.914 0.044 0.000 2.408 347 V HA 0.379 4.499 4.120 -0.001 0.000 0.267 347 V C -0.052 176.063 176.094 0.035 0.000 1.047 347 V CA -0.252 62.072 62.300 0.040 0.000 0.937 347 V CB 0.887 32.730 31.823 0.032 0.000 0.999 347 V HN 0.603 nan 8.190 nan 0.000 0.472 348 V N 6.807 126.743 119.914 0.038 0.000 2.427 348 V HA 0.434 4.553 4.120 -0.001 0.000 0.286 348 V C 0.231 176.342 176.094 0.027 0.000 1.034 348 V CA -0.838 61.481 62.300 0.032 0.000 0.893 348 V CB 1.627 33.472 31.823 0.036 0.000 0.982 348 V HN 0.941 nan 8.190 nan 0.000 0.452 349 K N 2.848 123.260 120.400 0.021 0.000 2.221 349 K HA 0.735 5.054 4.320 -0.001 0.000 0.258 349 K C 0.341 176.950 176.600 0.015 0.000 0.944 349 K CA -0.112 56.184 56.287 0.016 0.000 0.823 349 K CB 1.827 34.334 32.500 0.012 0.000 1.113 349 K HN 1.073 nan 8.250 nan 0.000 0.431 350 G N 1.336 110.145 108.800 0.014 0.000 2.370 350 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.268 350 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.268 350 G C -0.489 174.421 174.900 0.017 0.000 1.122 350 G CA -0.275 44.833 45.100 0.013 0.000 0.963 350 G HN 0.432 nan 8.290 nan 0.000 0.500 351 V N 1.365 121.293 119.914 0.022 0.000 2.383 351 V HA 0.427 4.547 4.120 -0.001 0.000 0.275 351 V C -1.138 174.974 176.094 0.031 0.000 1.036 351 V CA -1.545 60.772 62.300 0.029 0.000 0.889 351 V CB 1.325 33.174 31.823 0.043 0.000 0.985 351 V HN 0.337 nan 8.190 nan 0.000 0.459 352 P HA 0.131 nan 4.420 nan 0.000 0.265 352 P C 0.932 178.259 177.300 0.045 0.000 1.193 352 P CA -0.027 63.089 63.100 0.027 0.000 0.765 352 P CB 0.700 32.407 31.700 0.012 0.000 0.823 353 E N 2.064 122.302 120.200 0.063 0.000 2.086 353 E HA -0.305 4.044 4.350 -0.001 0.000 0.200 353 E C 1.930 178.571 176.600 0.068 0.000 1.012 353 E CA 1.829 58.301 56.400 0.119 0.000 0.812 353 E CB -0.332 29.461 29.700 0.156 0.000 0.743 353 E HN 0.580 nan 8.360 nan 0.000 0.453 354 A N 0.771 123.589 122.820 -0.003 0.000 1.917 354 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 354 A C 2.501 180.048 177.584 -0.062 0.000 1.182 354 A CA 1.611 53.604 52.037 -0.073 0.000 0.633 354 A CB -0.738 18.227 19.000 -0.058 0.000 0.819 354 A HN 0.152 nan 8.150 nan 0.000 0.448 355 V N 0.012 119.916 119.914 -0.016 0.000 2.358 355 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 355 V C 2.413 178.522 176.094 0.025 0.000 1.047 355 V CA 1.964 64.258 62.300 -0.010 0.000 1.035 355 V CB -0.622 31.202 31.823 0.002 0.000 0.658 355 V HN 0.580 nan 8.190 nan 0.000 0.452 356 I N 0.324 120.948 120.570 0.090 0.000 2.226 356 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 356 I C 2.680 178.904 176.117 0.178 0.000 1.100 356 I CA 1.433 62.851 61.300 0.197 0.000 1.374 356 I CB -0.588 37.550 38.000 0.229 0.000 1.057 356 I HN 0.296 nan 8.210 nan 0.000 0.413 357 A N 0.390 123.251 122.820 0.069 0.000 1.883 357 A HA -0.316 4.004 4.320 -0.001 0.000 0.217 357 A C 2.239 179.745 177.584 -0.130 0.000 1.186 357 A CA 2.214 54.129 52.037 -0.203 0.000 0.624 357 A CB -0.721 17.769 19.000 -0.850 0.000 0.822 357 A HN 0.444 nan 8.150 nan 0.000 0.444 358 Q N 0.026 119.762 119.800 -0.107 0.000 2.170 358 Q HA 0.003 4.342 4.340 -0.001 0.000 0.203 358 Q C 1.938 177.921 176.000 -0.029 0.000 0.976 358 Q CA 2.133 57.897 55.803 -0.064 0.000 0.858 358 Q CB -0.698 28.003 28.738 -0.061 0.000 0.907 358 Q HN 0.540 nan 8.270 nan 0.000 0.433 359 A N 0.550 123.342 122.820 -0.046 0.000 1.883 359 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 359 A C 2.188 179.722 177.584 -0.084 0.000 1.186 359 A CA 1.633 53.614 52.037 -0.093 0.000 0.624 359 A CB -0.839 18.098 19.000 -0.104 0.000 0.822 359 A HN 0.484 nan 8.150 nan 0.000 0.444 360 I N -0.918 119.598 120.570 -0.090 0.000 2.163 360 I HA -0.261 3.909 4.170 -0.001 0.000 0.243 360 I C 2.607 178.685 176.117 -0.066 0.000 1.085 360 I CA 1.929 63.127 61.300 -0.170 0.000 1.347 360 I CB -0.310 37.548 38.000 -0.237 0.000 1.044 360 I HN 0.349 nan 8.210 nan 0.000 0.408 361 E N 0.252 120.440 120.200 -0.020 0.000 2.107 361 E HA -0.244 4.106 4.350 -0.001 0.000 0.191 361 E C 2.030 178.643 176.600 0.022 0.000 0.982 361 E CA 1.161 57.561 56.400 -0.000 0.000 0.809 361 E CB -0.329 29.358 29.700 -0.021 0.000 0.756 361 E HN 0.453 nan 8.360 nan 0.000 0.459 362 Y N -0.168 120.084 120.300 -0.080 0.000 2.224 362 Y HA -0.215 4.334 4.550 -0.001 0.000 0.289 362 Y C 1.859 177.734 175.900 -0.040 0.000 1.146 362 Y CA 1.420 59.474 58.100 -0.077 0.000 1.182 362 Y CB -0.252 38.130 38.460 -0.131 0.000 0.983 362 Y HN 0.099 nan 8.280 nan 0.000 0.524 363 C N 1.253 120.676 119.300 0.204 0.000 2.503 363 C HA -0.018 4.442 4.460 -0.001 0.000 0.285 363 C C 2.258 177.301 174.990 0.087 0.000 1.473 363 C CA 0.409 59.532 59.018 0.175 0.000 1.708 363 C CB -1.857 25.950 27.740 0.112 0.000 1.638 363 C HN 0.453 nan 8.230 nan 0.000 0.585 364 R N 0.467 120.984 120.500 0.029 0.000 2.276 364 R HA -0.039 4.301 4.340 -0.001 0.000 0.196 364 R C 2.103 178.394 176.300 -0.016 0.000 0.961 364 R CA 1.535 57.646 56.100 0.019 0.000 1.024 364 R CB -0.267 30.037 30.300 0.006 0.000 0.940 364 R HN 0.712 nan 8.270 nan 0.000 0.480 365 T N -2.132 112.376 114.554 -0.078 0.000 3.044 365 T HA 0.105 4.454 4.350 -0.001 0.000 0.250 365 T C 1.113 175.791 174.700 -0.037 0.000 1.081 365 T CA -0.154 61.877 62.100 -0.115 0.000 1.040 365 T CB -0.215 68.473 68.868 -0.300 0.000 0.962 365 T HN 0.003 nan 8.240 nan 0.000 0.506 366 V N 0.000 119.942 119.914 0.046 0.000 2.409 366 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 366 V CA 0.000 62.366 62.300 0.111 0.000 1.235 366 V CB 0.000 31.956 31.823 0.222 0.000 1.184 366 V HN 0.000 nan 8.190 nan 0.000 0.556