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 1mal_1_C DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQTTGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVAQ QNDWEATDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGLE NIDVGFGKLS LAATRSSEAG DATA SEQUENCE GSSSFASNNI YDYTNETAND VFDVRLAQME INPGGTLELG VDYGRANLRD DATA SEQUENCE NYRLVDGASK DGWLFTAEHT QSVLKGFNKF VVQYATDSMT SQGKGLSQGS DATA SEQUENCE GVAFDNEKFA YNINNNGHML RILDHGAISM GDNWDMMYVG MYQDINWDND DATA SEQUENCE NGTKWWTVGI RPMYKWTPIM STVMEIGYDN VESQRTGDKN NQYKITLAQQ DATA SEQUENCE WQAGDSIWSR PAIRVFATYA KWDEKWGYDY TGNADNNANF GKAVPADFNG DATA SEQUENCE GSFGRGDSDE WTFGAQMEIW W 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.165 176.094 0.118 0.000 1.182 1 V CA 0.000 62.361 62.300 0.102 0.000 1.235 1 V CB 0.000 31.865 31.823 0.070 0.000 1.184 2 D N 4.896 125.385 120.400 0.149 0.000 2.198 2 D HA 0.560 5.201 4.640 0.001 0.000 0.245 2 D C -0.976 175.390 176.300 0.110 0.000 1.079 2 D CA 0.317 54.393 54.000 0.125 0.000 0.854 2 D CB 1.561 42.518 40.800 0.262 0.000 1.148 2 D HN 0.397 nan 8.370 nan 0.000 0.456 3 F N 3.955 123.770 119.950 -0.226 0.000 2.460 3 F HA 0.400 4.927 4.527 0.001 0.000 0.341 3 F C -0.966 174.709 175.800 -0.208 0.000 1.130 3 F CA -0.341 57.620 58.000 -0.065 0.000 0.962 3 F CB 0.740 39.802 39.000 0.104 0.000 1.171 3 F HN 0.315 nan 8.300 nan 0.000 0.436 4 H N 2.941 121.834 119.070 -0.296 0.000 2.977 4 H HA 0.825 5.381 4.556 0.001 0.000 0.350 4 H C -0.171 174.259 175.328 -1.496 0.000 1.238 4 H CA -0.610 54.844 56.048 -0.990 0.000 1.124 4 H CB 1.759 31.217 29.762 -0.507 0.000 1.866 4 H HN 0.844 nan 8.280 nan 0.000 0.550 5 G N -0.476 107.046 108.800 -2.130 0.000 2.393 5 G HA2 0.328 4.289 3.960 0.001 0.000 0.264 5 G HA3 0.328 4.289 3.960 0.001 0.000 0.264 5 G C -2.323 171.987 174.900 -0.984 0.000 1.221 5 G CA -0.466 43.668 45.100 -1.610 0.000 0.912 5 G HN 0.522 nan 8.290 nan 0.000 0.483 6 Y N -0.167 119.859 120.300 -0.456 0.000 2.558 6 Y HA 0.719 5.270 4.550 0.001 0.000 0.333 6 Y C -0.948 175.160 175.900 0.346 0.000 1.125 6 Y CA -0.055 58.142 58.100 0.161 0.000 1.039 6 Y CB 1.620 40.207 38.460 0.212 0.000 1.331 6 Y HN 1.712 nan 8.280 nan 0.000 0.456 7 A N 4.943 127.494 122.820 -0.449 0.000 2.605 7 A HA 0.862 5.183 4.320 0.001 0.000 0.294 7 A C -1.821 175.620 177.584 -0.237 0.000 1.062 7 A CA -0.695 51.300 52.037 -0.069 0.000 0.682 7 A CB 1.835 20.899 19.000 0.108 0.000 1.278 7 A HN 1.056 nan 8.150 nan 0.000 0.410 8 R N 0.029 120.568 120.500 0.064 0.000 2.584 8 R HA 0.847 5.188 4.340 0.001 0.000 0.276 8 R C -1.216 175.153 176.300 0.114 0.000 1.046 8 R CA 0.152 56.312 56.100 0.100 0.000 0.906 8 R CB 1.770 32.235 30.300 0.275 0.000 1.215 8 R HN 1.552 nan 8.270 nan 0.000 0.449 9 S N 1.362 117.105 115.700 0.073 0.000 2.552 9 S HA 0.857 5.327 4.470 0.001 0.000 0.272 9 S C -1.152 173.478 174.600 0.049 0.000 1.150 9 S CA 0.159 58.393 58.200 0.056 0.000 0.849 9 S CB 1.703 64.919 63.200 0.027 0.000 1.113 9 S HN 1.290 nan 8.310 nan 0.000 0.458 10 G N 1.531 110.352 108.800 0.034 0.000 2.348 10 G HA2 0.552 4.513 3.960 0.001 0.000 0.296 10 G HA3 0.552 4.513 3.960 0.001 0.000 0.296 10 G C -2.050 172.842 174.900 -0.014 0.000 1.258 10 G CA -0.055 45.070 45.100 0.041 0.000 0.868 10 G HN 1.273 nan 8.290 nan 0.000 0.488 11 I N -0.406 120.150 120.570 -0.023 0.000 2.722 11 I HA 0.791 4.962 4.170 0.001 0.000 0.295 11 I C -0.132 175.821 176.117 -0.274 0.000 1.161 11 I CA -0.346 60.825 61.300 -0.215 0.000 1.032 11 I CB 2.122 39.965 38.000 -0.262 0.000 1.244 11 I HN 1.237 nan 8.210 nan 0.000 0.421 12 G N 5.436 113.891 108.800 -0.576 0.000 2.660 12 G HA2 0.527 4.488 3.960 0.001 0.000 0.290 12 G HA3 0.527 4.488 3.960 0.001 0.000 0.290 12 G C -2.456 171.986 174.900 -0.763 0.000 1.432 12 G CA -0.499 44.332 45.100 -0.449 0.000 0.807 12 G HN 0.546 nan 8.290 nan 0.000 0.485 13 W N -0.052 120.941 121.300 -0.512 0.000 3.032 13 W HA 0.534 5.195 4.660 0.001 0.000 0.335 13 W C -0.748 175.362 176.519 -0.683 0.000 1.154 13 W CA -0.565 56.403 57.345 -0.628 0.000 1.204 13 W CB 2.559 31.477 29.460 -0.904 0.000 1.416 13 W HN 0.492 nan 8.180 nan 0.000 0.521 14 T N 1.170 115.600 114.554 -0.208 0.000 2.794 14 T HA 0.273 4.624 4.350 0.001 0.000 0.280 14 T C 1.216 175.717 174.700 -0.331 0.000 0.987 14 T CA -0.010 61.957 62.100 -0.222 0.000 0.993 14 T CB 1.837 70.653 68.868 -0.088 0.000 0.939 14 T HN 0.606 nan 8.240 nan 0.000 0.449 15 G N 2.504 110.885 108.800 -0.698 0.000 2.719 15 G HA2 -0.317 3.643 3.960 0.001 0.000 0.219 15 G HA3 -0.317 3.643 3.960 0.001 0.000 0.219 15 G C 1.861 176.570 174.900 -0.317 0.000 1.234 15 G CA 1.554 46.007 45.100 -1.078 0.000 0.788 15 G HN 0.817 nan 8.290 nan 0.000 0.619 16 S N -0.180 115.420 115.700 -0.166 0.000 2.469 16 S HA 0.369 4.840 4.470 0.001 0.000 0.238 16 S C 1.057 175.660 174.600 0.005 0.000 0.998 16 S CA 1.055 59.249 58.200 -0.009 0.000 0.957 16 S CB -0.329 62.892 63.200 0.035 0.000 0.764 16 S HN 1.877 nan 8.310 nan 0.000 0.514 17 G N -1.377 107.411 108.800 -0.020 0.000 2.326 17 G HA2 0.522 4.482 3.960 0.001 0.000 0.478 17 G HA3 0.522 4.482 3.960 0.001 0.000 0.478 17 G C -0.008 174.898 174.900 0.011 0.000 1.551 17 G CA -0.349 44.760 45.100 0.015 0.000 0.946 17 G HN 1.681 nan 8.290 nan 0.000 0.671 18 G N 0.109 108.929 108.800 0.033 0.000 2.782 18 G HA2 0.318 4.278 3.960 0.001 0.000 0.228 18 G HA3 0.318 4.278 3.960 0.001 0.000 0.228 18 G C 0.251 175.132 174.900 -0.031 0.000 1.372 18 G CA 0.744 45.850 45.100 0.011 0.000 0.862 18 G HN 2.119 nan 8.290 nan 0.000 0.547 19 E N 0.095 120.241 120.200 -0.090 0.000 2.438 19 E HA 0.300 4.650 4.350 0.001 0.000 0.261 19 E C 0.907 177.408 176.600 -0.165 0.000 1.103 19 E CA 0.238 56.525 56.400 -0.188 0.000 0.959 19 E CB 0.426 30.028 29.700 -0.163 0.000 0.958 19 E HN 0.839 nan 8.360 nan 0.000 0.447 20 Q N 1.270 120.941 119.800 -0.215 0.000 2.395 20 Q HA -0.058 4.283 4.340 0.001 0.000 0.271 20 Q C -0.661 175.250 176.000 -0.149 0.000 1.026 20 Q CA 0.341 56.047 55.803 -0.161 0.000 0.900 20 Q CB 0.697 29.352 28.738 -0.138 0.000 1.266 20 Q HN 0.528 nan 8.270 nan 0.000 0.430 21 Q N 1.534 121.231 119.800 -0.173 0.000 2.351 21 Q HA 0.545 4.886 4.340 0.001 0.000 0.273 21 Q C -1.309 174.315 176.000 -0.627 0.000 1.077 21 Q CA -0.952 54.680 55.803 -0.285 0.000 0.843 21 Q CB 2.384 31.015 28.738 -0.178 0.000 1.367 21 Q HN 0.719 nan 8.270 nan 0.000 0.449 22 c N 1.055 119.252 118.600 -0.671 0.000 2.561 22 c HA 0.650 5.220 4.570 0.001 0.000 0.319 22 c C -1.086 172.466 174.090 -0.896 0.000 1.198 22 c CA -0.795 55.032 56.329 -0.837 0.000 1.665 22 c CB 0.277 42.560 42.510 -0.379 0.000 2.258 22 c HN 0.629 nan 8.230 nan 0.000 0.493 23 F N 2.010 121.913 119.950 -0.078 0.000 2.402 23 F HA 0.609 5.137 4.527 0.001 0.000 0.355 23 F C 0.203 175.921 175.800 -0.136 0.000 1.123 23 F CA -0.480 57.420 58.000 -0.167 0.000 1.021 23 F CB 0.723 39.641 39.000 -0.136 0.000 1.160 23 F HN 0.517 nan 8.300 nan 0.000 0.451 24 Q N 1.700 121.463 119.800 -0.061 0.000 2.304 24 Q HA 0.375 4.716 4.340 0.001 0.000 0.270 24 Q C -0.888 175.021 176.000 -0.152 0.000 1.035 24 Q CA -0.596 55.158 55.803 -0.081 0.000 0.781 24 Q CB 1.948 30.619 28.738 -0.112 0.000 1.261 24 Q HN 0.671 nan 8.270 nan 0.000 0.444 25 T N 3.167 117.648 114.554 -0.121 0.000 2.867 25 T HA 0.049 4.400 4.350 0.001 0.000 0.297 25 T C -0.259 174.287 174.700 -0.255 0.000 0.989 25 T CA 0.356 62.351 62.100 -0.175 0.000 1.159 25 T CB 0.278 69.085 68.868 -0.102 0.000 0.928 25 T HN 0.561 nan 8.240 nan 0.000 0.538 26 T N 4.110 118.481 114.554 -0.304 0.000 2.778 26 T HA 0.347 4.698 4.350 0.001 0.000 0.282 26 T C 1.539 175.983 174.700 -0.427 0.000 0.983 26 T CA 0.828 62.719 62.100 -0.348 0.000 1.193 26 T CB 0.058 68.670 68.868 -0.426 0.000 0.938 26 T HN 0.956 nan 8.240 nan 0.000 0.523 27 G N 2.273 110.923 108.800 -0.249 0.000 2.284 27 G HA2 -0.057 3.904 3.960 0.001 0.000 0.216 27 G HA3 -0.057 3.904 3.960 0.001 0.000 0.216 27 G C 0.309 174.957 174.900 -0.420 0.000 1.009 27 G CA -0.125 44.890 45.100 -0.142 0.000 0.625 27 G HN 1.116 nan 8.290 nan 0.000 0.501 28 A N 0.077 122.516 122.820 -0.635 0.000 2.304 28 A HA 0.724 5.045 4.320 0.001 0.000 0.271 28 A C 0.840 177.836 177.584 -0.980 0.000 1.091 28 A CA 0.559 51.811 52.037 -1.309 0.000 0.812 28 A CB 0.438 18.896 19.000 -0.903 0.000 1.056 28 A HN 0.409 nan 8.150 nan 0.000 0.489 29 Q N 0.085 119.081 119.800 -1.339 0.000 2.204 29 Q HA 0.228 4.568 4.340 0.001 0.000 0.209 29 Q C -0.310 175.621 176.000 -0.115 0.000 0.861 29 Q CA 0.330 55.852 55.803 -0.468 0.000 0.971 29 Q CB 0.168 28.804 28.738 -0.170 0.000 1.095 29 Q HN 0.812 nan 8.270 nan 0.000 0.486 30 S N -0.213 115.421 115.700 -0.110 0.000 2.587 30 S HA 0.569 5.040 4.470 0.001 0.000 0.269 30 S C -1.415 173.166 174.600 -0.031 0.000 1.154 30 S CA -1.192 57.010 58.200 0.003 0.000 0.824 30 S CB 1.581 64.810 63.200 0.048 0.000 1.118 30 S HN 0.213 nan 8.310 nan 0.000 0.462 31 K N -0.101 120.261 120.400 -0.062 0.000 2.395 31 K HA 0.617 4.938 4.320 0.001 0.000 0.247 31 K C -1.857 174.693 176.600 -0.084 0.000 0.973 31 K CA -0.985 55.289 56.287 -0.022 0.000 0.828 31 K CB 1.019 33.519 32.500 -0.000 0.000 1.272 31 K HN 0.558 nan 8.250 nan 0.000 0.439 32 Y N 2.883 123.240 120.300 0.094 0.000 2.539 32 Y HA 0.080 4.631 4.550 0.001 0.000 0.352 32 Y C 1.788 177.729 175.900 0.068 0.000 1.004 32 Y CA -0.260 57.896 58.100 0.094 0.000 1.278 32 Y CB 0.931 39.472 38.460 0.135 0.000 1.136 32 Y HN 0.657 nan 8.280 nan 0.000 0.528 33 R N 2.380 122.928 120.500 0.080 0.000 2.103 33 R HA -0.161 4.179 4.340 0.001 0.000 0.242 33 R C 0.458 176.782 176.300 0.039 0.000 1.142 33 R CA 0.884 57.009 56.100 0.042 0.000 0.960 33 R CB -0.527 29.763 30.300 -0.015 0.000 0.858 33 R HN 0.506 nan 8.270 nan 0.000 0.439 34 L N 2.772 124.047 121.223 0.086 0.000 2.700 34 L HA -0.070 4.270 4.340 0.001 0.000 0.276 34 L C 0.530 177.356 176.870 -0.072 0.000 1.200 34 L CA 1.717 56.577 54.840 0.033 0.000 0.951 34 L CB 0.003 42.125 42.059 0.104 0.000 1.226 34 L HN 0.827 nan 8.230 nan 0.000 0.489 35 G N 3.784 112.358 108.800 -0.377 0.000 2.305 35 G HA2 -0.340 3.620 3.960 0.001 0.000 0.287 35 G HA3 -0.340 3.620 3.960 0.001 0.000 0.287 35 G C 0.380 175.129 174.900 -0.251 0.000 1.036 35 G CA 0.777 45.349 45.100 -0.879 0.000 0.887 35 G HN 0.822 nan 8.290 nan 0.000 0.505 36 N N -0.252 118.357 118.700 -0.152 0.000 2.527 36 N HA 0.177 4.917 4.740 0.001 0.000 0.279 36 N C -0.538 174.918 175.510 -0.090 0.000 1.571 36 N CA -0.117 52.898 53.050 -0.059 0.000 0.858 36 N CB 0.605 39.123 38.487 0.053 0.000 1.422 36 N HN 0.557 nan 8.380 nan 0.000 0.491 37 E N -0.186 119.956 120.200 -0.097 0.000 2.224 37 E HA 0.377 4.728 4.350 0.001 0.000 0.265 37 E C -0.583 175.983 176.600 -0.056 0.000 0.878 37 E CA -0.616 55.746 56.400 -0.063 0.000 0.759 37 E CB 1.542 31.230 29.700 -0.020 0.000 1.164 37 E HN 0.184 nan 8.360 nan 0.000 0.414 38 c N 3.328 121.890 118.600 -0.063 0.000 2.469 38 c HA 0.263 4.834 4.570 0.001 0.000 0.298 38 c C -0.301 173.773 174.090 -0.027 0.000 1.436 38 c CA -0.416 55.877 56.329 -0.060 0.000 1.783 38 c CB -1.540 40.908 42.510 -0.103 0.000 2.726 38 c HN 0.664 nan 8.230 nan 0.000 0.541 39 E N -1.134 119.076 120.200 0.015 0.000 2.449 39 E HA 0.459 4.810 4.350 0.001 0.000 0.278 39 E C -0.809 175.850 176.600 0.099 0.000 0.992 39 E CA -0.486 55.946 56.400 0.053 0.000 0.807 39 E CB 0.428 30.177 29.700 0.080 0.000 1.350 39 E HN -0.131 nan 8.360 nan 0.000 0.462 40 T N 1.228 115.848 114.554 0.110 0.000 2.756 40 T HA 0.420 4.771 4.350 0.001 0.000 0.290 40 T C -1.659 173.165 174.700 0.208 0.000 0.985 40 T CA -0.377 61.797 62.100 0.124 0.000 0.955 40 T CB -0.069 68.835 68.868 0.059 0.000 0.930 40 T HN 0.385 nan 8.240 nan 0.000 0.451 41 Y N 2.621 123.011 120.300 0.150 0.000 2.499 41 Y HA 0.717 5.267 4.550 0.001 0.000 0.347 41 Y C -0.934 175.130 175.900 0.274 0.000 0.987 41 Y CA -1.103 57.116 58.100 0.198 0.000 1.044 41 Y CB 1.453 40.040 38.460 0.211 0.000 1.245 41 Y HN 0.720 nan 8.280 nan 0.000 0.461 42 A N 4.495 126.949 122.820 -0.609 0.000 2.540 42 A HA 0.610 4.931 4.320 0.001 0.000 0.297 42 A C -1.825 175.649 177.584 -0.183 0.000 1.056 42 A CA -0.866 51.063 52.037 -0.180 0.000 0.700 42 A CB 1.326 20.328 19.000 0.003 0.000 1.280 42 A HN 0.746 nan 8.150 nan 0.000 0.398 43 E N 1.917 122.134 120.200 0.029 0.000 2.191 43 E HA 0.511 4.861 4.350 0.001 0.000 0.263 43 E C -1.273 175.362 176.600 0.059 0.000 0.881 43 E CA -0.488 55.929 56.400 0.027 0.000 0.757 43 E CB 1.998 31.720 29.700 0.037 0.000 1.147 43 E HN 0.558 nan 8.360 nan 0.000 0.414 44 L N 3.525 124.827 121.223 0.133 0.000 2.276 44 L HA 0.454 4.794 4.340 0.001 0.000 0.286 44 L C -0.115 176.811 176.870 0.093 0.000 1.024 44 L CA -0.655 54.306 54.840 0.202 0.000 0.826 44 L CB 0.723 42.999 42.059 0.362 0.000 1.211 44 L HN 0.298 nan 8.230 nan 0.000 0.422 45 K N 4.857 125.252 120.400 -0.009 0.000 2.159 45 K HA 0.720 5.041 4.320 0.001 0.000 0.266 45 K C -0.960 175.707 176.600 0.112 0.000 0.975 45 K CA -0.567 55.697 56.287 -0.039 0.000 0.865 45 K CB 2.297 34.717 32.500 -0.134 0.000 1.087 45 K HN 0.474 nan 8.250 nan 0.000 0.446 46 L N 2.404 123.658 121.223 0.052 0.000 2.457 46 L HA 0.441 4.781 4.340 0.001 0.000 0.266 46 L C -0.119 176.720 176.870 -0.053 0.000 0.979 46 L CA -0.676 54.223 54.840 0.099 0.000 0.857 46 L CB 1.830 43.962 42.059 0.123 0.000 1.213 46 L HN 0.833 nan 8.230 nan 0.000 0.418 47 G N 1.994 110.772 108.800 -0.036 0.000 3.013 47 G HA2 0.744 4.705 3.960 0.001 0.000 0.278 47 G HA3 0.744 4.705 3.960 0.001 0.000 0.278 47 G C -1.625 173.229 174.900 -0.076 0.000 1.353 47 G CA -0.337 44.621 45.100 -0.237 0.000 1.043 47 G HN 0.450 nan 8.290 nan 0.000 0.523 48 Q N -0.801 118.843 119.800 -0.260 0.000 2.616 48 Q HA 0.180 4.521 4.340 0.001 0.000 0.254 48 Q C -1.606 174.528 176.000 0.223 0.000 0.975 48 Q CA -0.560 55.320 55.803 0.129 0.000 0.976 48 Q CB 1.708 30.542 28.738 0.161 0.000 1.594 48 Q HN 0.617 nan 8.270 nan 0.000 0.425 49 E N 2.764 123.275 120.200 0.518 0.000 2.220 49 E HA 0.165 4.516 4.350 0.001 0.000 0.272 49 E C 0.605 177.410 176.600 0.342 0.000 1.099 49 E CA 0.119 56.837 56.400 0.530 0.000 0.907 49 E CB 0.776 30.698 29.700 0.369 0.000 1.022 49 E HN 0.515 nan 8.360 nan 0.000 0.428 50 V N 2.494 122.611 119.914 0.338 0.000 3.608 50 V HA 0.279 4.400 4.120 0.001 0.000 0.269 50 V C 0.096 176.419 176.094 0.380 0.000 1.245 50 V CA -0.260 62.199 62.300 0.265 0.000 1.138 50 V CB -0.853 31.055 31.823 0.142 0.000 0.841 50 V HN 0.678 nan 8.190 nan 0.000 0.451 51 W N 0.242 121.661 121.300 0.199 0.000 4.020 51 W HA 0.578 5.239 4.660 0.001 0.000 0.293 51 W C -1.367 175.265 176.519 0.188 0.000 1.236 51 W CA -0.597 56.863 57.345 0.191 0.000 1.265 51 W CB 1.103 30.707 29.460 0.240 0.000 1.248 51 W HN -0.178 nan 8.180 nan 0.000 0.501 52 K N 4.415 124.785 120.400 -0.049 0.000 2.482 52 K HA 0.336 4.657 4.320 0.001 0.000 0.251 52 K C -1.287 174.897 176.600 -0.693 0.000 0.936 52 K CA -0.503 55.658 56.287 -0.209 0.000 0.791 52 K CB 2.194 34.654 32.500 -0.066 0.000 1.213 52 K HN 0.656 nan 8.250 nan 0.000 0.428 53 E N 2.546 122.320 120.200 -0.710 0.000 2.923 53 E HA 0.246 4.596 4.350 0.001 0.000 0.266 53 E C -0.118 176.328 176.600 -0.256 0.000 1.157 53 E CA -0.066 55.977 56.400 -0.595 0.000 0.795 53 E CB 1.162 30.364 29.700 -0.830 0.000 1.454 53 E HN 1.026 nan 8.360 nan 0.000 0.386 54 G N 3.065 111.763 108.800 -0.171 0.000 2.650 54 G HA2 -0.337 3.624 3.960 0.001 0.000 0.264 54 G HA3 -0.337 3.624 3.960 0.001 0.000 0.264 54 G C 0.522 175.387 174.900 -0.058 0.000 1.263 54 G CA 0.348 45.395 45.100 -0.089 0.000 0.960 54 G HN 0.479 nan 8.290 nan 0.000 0.548 55 D N 1.543 121.925 120.400 -0.031 0.000 2.240 55 D HA 0.173 4.814 4.640 0.001 0.000 0.206 55 D C 1.204 177.507 176.300 0.005 0.000 0.963 55 D CA 0.784 54.775 54.000 -0.015 0.000 0.863 55 D CB 0.036 40.831 40.800 -0.009 0.000 0.973 55 D HN 0.504 nan 8.370 nan 0.000 0.501 56 K N 0.760 121.181 120.400 0.035 0.000 2.412 56 K HA 0.311 4.632 4.320 0.001 0.000 0.281 56 K C 0.016 176.753 176.600 0.229 0.000 1.027 56 K CA 0.046 56.411 56.287 0.130 0.000 0.989 56 K CB 0.841 33.502 32.500 0.268 0.000 0.935 56 K HN 0.021 nan 8.250 nan 0.000 0.475 57 S N 1.825 117.636 115.700 0.186 0.000 2.565 57 S HA 0.611 5.082 4.470 0.001 0.000 0.269 57 S C -1.316 173.349 174.600 0.108 0.000 1.153 57 S CA -1.084 57.298 58.200 0.303 0.000 0.835 57 S CB 0.749 64.059 63.200 0.183 0.000 1.122 57 S HN 0.336 nan 8.310 nan 0.000 0.462 58 F N 1.674 121.820 119.950 0.327 0.000 2.499 58 F HA 0.531 5.059 4.527 0.001 0.000 0.333 58 F C -0.793 175.186 175.800 0.298 0.000 1.138 58 F CA -0.607 57.519 58.000 0.210 0.000 0.945 58 F CB 1.536 40.581 39.000 0.074 0.000 1.181 58 F HN 0.743 nan 8.300 nan 0.000 0.435 59 Y N 4.331 124.814 120.300 0.305 0.000 2.342 59 Y HA 0.523 5.073 4.550 0.001 0.000 0.334 59 Y C -1.299 174.768 175.900 0.277 0.000 1.067 59 Y CA -1.896 56.347 58.100 0.238 0.000 1.128 59 Y CB 1.097 39.641 38.460 0.139 0.000 1.200 59 Y HN 0.445 nan 8.280 nan 0.000 0.464 60 F N 5.652 125.352 119.950 -0.415 0.000 2.458 60 F HA 0.512 5.039 4.527 0.001 0.000 0.336 60 F C -1.239 174.220 175.800 -0.568 0.000 1.114 60 F CA -0.856 56.946 58.000 -0.331 0.000 0.987 60 F CB 1.006 39.885 39.000 -0.201 0.000 1.130 60 F HN 0.507 nan 8.300 nan 0.000 0.458 61 D N 2.836 122.712 120.400 -0.873 0.000 2.819 61 D HA 0.509 5.149 4.640 0.001 0.000 0.232 61 D C -1.155 174.644 176.300 -0.835 0.000 1.160 61 D CA 0.021 53.545 54.000 -0.794 0.000 0.858 61 D CB 2.279 42.840 40.800 -0.398 0.000 1.610 61 D HN 0.710 nan 8.370 nan 0.000 0.481 62 T N 0.169 114.324 114.554 -0.665 0.000 2.883 62 T HA 0.653 5.004 4.350 0.001 0.000 0.296 62 T C -1.041 173.392 174.700 -0.444 0.000 1.117 62 T CA -0.994 60.771 62.100 -0.558 0.000 1.006 62 T CB 1.454 70.064 68.868 -0.430 0.000 1.191 62 T HN 0.371 nan 8.240 nan 0.000 0.508 63 N N 0.744 119.134 118.700 -0.518 0.000 2.578 63 N HA 0.480 5.221 4.740 0.001 0.000 0.282 63 N C -2.008 173.284 175.510 -0.363 0.000 1.119 63 N CA -0.641 52.163 53.050 -0.411 0.000 0.948 63 N CB 1.921 40.073 38.487 -0.558 0.000 1.546 63 N HN 0.531 nan 8.380 nan 0.000 0.525 64 V N 2.346 122.170 119.914 -0.150 0.000 2.384 64 V HA 0.726 4.847 4.120 0.001 0.000 0.287 64 V C 0.035 176.090 176.094 -0.065 0.000 1.020 64 V CA -0.486 61.762 62.300 -0.088 0.000 0.850 64 V CB 0.978 32.834 31.823 0.055 0.000 0.987 64 V HN 0.770 nan 8.190 nan 0.000 0.436 65 A N 5.118 127.848 122.820 -0.151 0.000 2.312 65 A HA 0.887 5.208 4.320 0.001 0.000 0.328 65 A C -1.424 176.007 177.584 -0.255 0.000 1.158 65 A CA -0.372 51.597 52.037 -0.114 0.000 0.821 65 A CB 0.778 19.768 19.000 -0.017 0.000 1.170 65 A HN 0.727 nan 8.150 nan 0.000 0.490 66 Y N 0.263 120.471 120.300 -0.154 0.000 2.406 66 Y HA 0.597 5.148 4.550 0.001 0.000 0.340 66 Y C 0.370 176.218 175.900 -0.086 0.000 0.975 66 Y CA -0.316 57.730 58.100 -0.090 0.000 1.056 66 Y CB 2.583 40.995 38.460 -0.080 0.000 1.210 66 Y HN 0.617 nan 8.280 nan 0.000 0.448 67 S N 3.434 119.237 115.700 0.171 0.000 2.647 67 S HA 0.857 5.328 4.470 0.001 0.000 0.300 67 S C -1.319 173.361 174.600 0.134 0.000 1.129 67 S CA -0.484 57.844 58.200 0.213 0.000 1.029 67 S CB 0.317 63.681 63.200 0.272 0.000 1.007 67 S HN 0.691 nan 8.310 nan 0.000 0.484 68 V N 1.946 121.924 119.914 0.108 0.000 3.160 68 V HA 0.938 5.059 4.120 0.001 0.000 0.310 68 V C 0.764 176.883 176.094 0.043 0.000 1.181 68 V CA -0.403 61.932 62.300 0.059 0.000 1.047 68 V CB 1.132 32.973 31.823 0.029 0.000 1.068 68 V HN 0.924 nan 8.190 nan 0.000 0.441 69 A N 0.428 123.260 122.820 0.021 0.000 2.208 69 A HA 0.166 4.487 4.320 0.001 0.000 0.209 69 A C 1.185 178.762 177.584 -0.011 0.000 1.161 69 A CA 0.833 52.872 52.037 0.004 0.000 0.782 69 A CB -0.885 18.113 19.000 -0.004 0.000 0.816 69 A HN 1.857 nan 8.150 nan 0.000 0.477 70 Q N -1.693 118.102 119.800 -0.008 0.000 2.434 70 Q HA -0.304 4.036 4.340 0.001 0.000 0.299 70 Q C -0.111 175.862 176.000 -0.045 0.000 1.286 70 Q CA 1.393 57.182 55.803 -0.023 0.000 0.872 70 Q CB -1.915 26.811 28.738 -0.020 0.000 1.193 70 Q HN 0.451 nan 8.270 nan 0.000 0.466 71 Q N 0.048 119.828 119.800 -0.033 0.000 2.149 71 Q HA 0.422 4.763 4.340 0.001 0.000 0.221 71 Q C -0.786 175.203 176.000 -0.018 0.000 0.807 71 Q CA 0.152 55.928 55.803 -0.044 0.000 1.000 71 Q CB 0.952 29.664 28.738 -0.043 0.000 1.157 71 Q HN 0.527 nan 8.270 nan 0.000 0.487 72 N N -1.152 117.548 118.700 -0.000 0.000 2.961 72 N HA 0.016 4.756 4.740 0.001 0.000 0.245 72 N C -0.374 175.161 175.510 0.042 0.000 1.404 72 N CA -0.199 52.868 53.050 0.029 0.000 0.880 72 N CB 1.682 40.202 38.487 0.055 0.000 1.461 72 N HN -0.107 nan 8.380 nan 0.000 0.510 73 D N 0.106 120.550 120.400 0.073 0.000 2.087 73 D HA -0.109 4.532 4.640 0.001 0.000 0.203 73 D C 0.184 176.552 176.300 0.113 0.000 0.976 73 D CA 0.975 55.026 54.000 0.084 0.000 0.865 73 D CB -0.094 40.770 40.800 0.107 0.000 1.005 73 D HN 0.432 nan 8.370 nan 0.000 0.449 74 W N 2.674 123.972 121.300 -0.005 0.000 2.745 74 W HA 0.183 4.844 4.660 0.001 0.000 0.370 74 W C -0.960 175.563 176.519 0.005 0.000 1.274 74 W CA 0.105 57.450 57.345 -0.000 0.000 1.502 74 W CB -0.424 29.037 29.460 0.001 0.000 1.589 74 W HN 0.160 nan 8.180 nan 0.000 0.482 75 E N 4.841 124.901 120.200 -0.233 0.000 2.207 75 E HA 0.408 4.759 4.350 0.001 0.000 0.250 75 E C -0.067 176.402 176.600 -0.219 0.000 0.890 75 E CA -0.499 55.841 56.400 -0.101 0.000 0.749 75 E CB 1.155 30.829 29.700 -0.044 0.000 1.193 75 E HN 0.397 nan 8.360 nan 0.000 0.423 76 A N 2.805 125.549 122.820 -0.127 0.000 2.386 76 A HA 0.522 4.843 4.320 0.001 0.000 0.248 76 A C 0.270 177.848 177.584 -0.009 0.000 1.082 76 A CA 0.094 52.081 52.037 -0.084 0.000 0.789 76 A CB 1.156 20.214 19.000 0.098 0.000 1.025 76 A HN 0.469 nan 8.150 nan 0.000 0.490 77 T N 0.122 114.679 114.554 0.004 0.000 2.886 77 T HA 0.425 4.775 4.350 0.001 0.000 0.330 77 T C -1.991 172.716 174.700 0.012 0.000 1.488 77 T CA -0.719 61.395 62.100 0.024 0.000 1.054 77 T CB 1.060 69.956 68.868 0.047 0.000 1.348 77 T HN 0.534 nan 8.240 nan 0.000 0.489 78 D N 4.548 124.946 120.400 -0.004 0.000 2.339 78 D HA 0.434 5.075 4.640 0.001 0.000 0.241 78 D C -1.687 174.567 176.300 -0.076 0.000 1.183 78 D CA -0.822 53.162 54.000 -0.027 0.000 0.859 78 D CB 1.310 42.100 40.800 -0.016 0.000 1.067 78 D HN 0.392 nan 8.370 nan 0.000 0.484 79 P HA 0.406 nan 4.420 nan 0.000 0.279 79 P C -1.301 175.887 177.300 -0.187 0.000 1.252 79 P CA -0.758 62.145 63.100 -0.327 0.000 0.811 79 P CB 1.299 32.608 31.700 -0.652 0.000 1.035 80 A N 2.064 124.785 122.820 -0.164 0.000 2.258 80 A HA 0.375 4.696 4.320 0.001 0.000 0.316 80 A C -0.700 176.878 177.584 -0.011 0.000 1.279 80 A CA -0.600 51.410 52.037 -0.046 0.000 0.876 80 A CB -0.240 18.749 19.000 -0.018 0.000 1.170 80 A HN 0.490 nan 8.150 nan 0.000 0.520 81 F N 3.822 123.708 119.950 -0.107 0.000 2.541 81 F HA 0.231 4.759 4.527 0.001 0.000 0.347 81 F C 1.299 177.047 175.800 -0.086 0.000 1.242 81 F CA -0.291 57.650 58.000 -0.099 0.000 1.123 81 F CB 0.291 39.245 39.000 -0.077 0.000 1.354 81 F HN 0.740 nan 8.300 nan 0.000 0.621 82 R N 2.673 122.962 120.500 -0.351 0.000 2.127 82 R HA 0.063 4.404 4.340 0.001 0.000 0.217 82 R C -0.263 175.762 176.300 -0.459 0.000 1.074 82 R CA 0.728 56.653 56.100 -0.291 0.000 0.991 82 R CB -0.013 30.212 30.300 -0.124 0.000 0.895 82 R HN 0.552 nan 8.270 nan 0.000 0.450 83 E N 0.199 119.969 120.200 -0.716 0.000 2.292 83 E HA 0.650 5.001 4.350 0.001 0.000 0.272 83 E C -1.521 174.693 176.600 -0.643 0.000 0.881 83 E CA -1.076 54.956 56.400 -0.614 0.000 0.754 83 E CB 2.413 31.733 29.700 -0.633 0.000 1.201 83 E HN 0.039 nan 8.360 nan 0.000 0.425 84 A N 3.042 125.649 122.820 -0.355 0.000 2.839 84 A HA 0.380 4.701 4.320 0.001 0.000 0.303 84 A C -1.205 176.375 177.584 -0.006 0.000 1.181 84 A CA -0.769 51.162 52.037 -0.177 0.000 0.808 84 A CB -0.275 18.794 19.000 0.115 0.000 1.391 84 A HN 0.770 nan 8.150 nan 0.000 0.433 85 N N -0.683 117.986 118.700 -0.051 0.000 2.629 85 N HA 0.777 5.518 4.740 0.001 0.000 0.279 85 N C -1.408 174.204 175.510 0.170 0.000 1.344 85 N CA -0.881 52.228 53.050 0.099 0.000 0.789 85 N CB 2.129 40.678 38.487 0.104 0.000 1.508 85 N HN 0.130 nan 8.380 nan 0.000 0.516 86 V N 0.269 120.326 119.914 0.239 0.000 2.577 86 V HA 0.385 4.505 4.120 0.001 0.000 0.303 86 V C -1.207 175.072 176.094 0.309 0.000 1.042 86 V CA -0.526 61.937 62.300 0.272 0.000 0.872 86 V CB 1.457 33.418 31.823 0.230 0.000 0.998 86 V HN 0.718 nan 8.190 nan 0.000 0.423 87 Q N 3.128 123.118 119.800 0.316 0.000 2.333 87 Q HA 0.690 5.030 4.340 0.001 0.000 0.267 87 Q C 0.013 176.166 176.000 0.256 0.000 1.012 87 Q CA -0.653 55.327 55.803 0.294 0.000 0.824 87 Q CB 2.535 31.406 28.738 0.221 0.000 1.290 87 Q HN 0.851 nan 8.270 nan 0.000 0.449 88 G N 2.730 111.619 108.800 0.149 0.000 2.588 88 G HA2 0.349 4.310 3.960 0.001 0.000 0.312 88 G HA3 0.349 4.310 3.960 0.001 0.000 0.312 88 G C -0.568 174.254 174.900 -0.130 0.000 1.257 88 G CA -0.646 44.380 45.100 -0.123 0.000 0.994 88 G HN 0.368 nan 8.290 nan 0.000 0.498 89 K N 2.535 122.863 120.400 -0.120 0.000 2.172 89 K HA 0.265 4.585 4.320 0.001 0.000 0.276 89 K C 0.072 176.615 176.600 -0.095 0.000 1.013 89 K CA -0.897 55.346 56.287 -0.073 0.000 0.913 89 K CB 1.160 33.639 32.500 -0.036 0.000 1.055 89 K HN 0.397 nan 8.250 nan 0.000 0.461 90 N N 1.131 119.787 118.700 -0.073 0.000 2.753 90 N HA -0.185 4.556 4.740 0.001 0.000 0.251 90 N C 0.515 175.973 175.510 -0.088 0.000 1.097 90 N CA 0.604 53.615 53.050 -0.065 0.000 0.786 90 N CB -1.199 37.267 38.487 -0.035 0.000 1.137 90 N HN 0.603 nan 8.380 nan 0.000 0.566 91 L N -0.272 120.866 121.223 -0.141 0.000 2.376 91 L HA 0.087 4.428 4.340 0.001 0.000 0.219 91 L C 0.918 177.702 176.870 -0.143 0.000 1.133 91 L CA 0.882 55.629 54.840 -0.156 0.000 0.816 91 L CB -0.034 41.885 42.059 -0.234 0.000 0.933 91 L HN 0.144 nan 8.230 nan 0.000 0.449 92 I N -0.069 120.395 120.570 -0.176 0.000 2.330 92 I HA 0.067 4.237 4.170 0.001 0.000 0.286 92 I C 0.967 176.965 176.117 -0.198 0.000 1.025 92 I CA -0.256 60.879 61.300 -0.274 0.000 1.197 92 I CB 1.432 39.166 38.000 -0.444 0.000 1.358 92 I HN 0.089 nan 8.210 nan 0.000 0.467 93 E N 4.763 124.901 120.200 -0.103 0.000 2.048 93 E HA -0.284 4.067 4.350 0.001 0.000 0.202 93 E C 1.550 178.218 176.600 0.114 0.000 1.021 93 E CA 2.194 58.609 56.400 0.025 0.000 0.825 93 E CB -0.209 29.544 29.700 0.088 0.000 0.756 93 E HN 0.877 nan 8.360 nan 0.000 0.454 94 W N 1.558 122.864 121.300 0.009 0.000 2.424 94 W HA -0.011 4.650 4.660 0.001 0.000 0.264 94 W C 0.088 176.612 176.519 0.008 0.000 1.229 94 W CA 0.528 57.878 57.345 0.009 0.000 1.208 94 W CB -0.290 29.176 29.460 0.010 0.000 1.127 94 W HN -0.131 nan 8.180 nan 0.000 0.588 95 L N 3.727 125.016 121.223 0.110 0.000 2.462 95 L HA 0.388 4.729 4.340 0.001 0.000 0.255 95 L C -2.041 174.837 176.870 0.012 0.000 1.076 95 L CA -2.051 52.845 54.840 0.094 0.000 0.920 95 L CB 1.139 43.210 42.059 0.020 0.000 1.214 95 L HN -0.345 nan 8.230 nan 0.000 0.472 96 P HA 0.153 nan 4.420 nan 0.000 0.274 96 P C 0.851 178.150 177.300 -0.001 0.000 1.231 96 P CA 0.404 63.510 63.100 0.011 0.000 0.790 96 P CB 1.546 33.261 31.700 0.026 0.000 0.951 97 G N 1.040 109.833 108.800 -0.013 0.000 2.189 97 G HA2 -0.238 3.722 3.960 0.001 0.000 0.267 97 G HA3 -0.238 3.722 3.960 0.001 0.000 0.267 97 G C 0.275 175.163 174.900 -0.019 0.000 0.975 97 G CA 0.543 45.632 45.100 -0.018 0.000 0.644 97 G HN 0.934 nan 8.290 nan 0.000 0.537 98 S N -0.609 115.080 115.700 -0.018 0.000 2.608 98 S HA 0.804 5.275 4.470 0.001 0.000 0.291 98 S C -0.101 174.495 174.600 -0.007 0.000 1.146 98 S CA 0.294 58.490 58.200 -0.006 0.000 1.043 98 S CB 2.396 65.594 63.200 -0.003 0.000 1.037 98 S HN 0.541 nan 8.310 nan 0.000 0.520 99 T N 2.734 117.310 114.554 0.038 0.000 2.888 99 T HA 0.607 4.957 4.350 0.001 0.000 0.284 99 T C -0.030 174.756 174.700 0.144 0.000 1.017 99 T CA -0.735 61.409 62.100 0.074 0.000 1.022 99 T CB 0.843 69.775 68.868 0.107 0.000 1.013 99 T HN 0.805 nan 8.240 nan 0.000 0.465 100 I N 0.428 121.071 120.570 0.122 0.000 2.474 100 I HA 0.848 5.019 4.170 0.001 0.000 0.294 100 I C -1.173 175.080 176.117 0.228 0.000 1.005 100 I CA -0.967 60.394 61.300 0.101 0.000 1.113 100 I CB 1.818 39.809 38.000 -0.014 0.000 1.289 100 I HN 0.767 nan 8.210 nan 0.000 0.436 101 W N 4.467 125.784 121.300 0.029 0.000 3.062 101 W HA 0.893 5.554 4.660 0.001 0.000 0.336 101 W C -1.819 174.713 176.519 0.021 0.000 1.224 101 W CA -1.511 55.861 57.345 0.046 0.000 1.159 101 W CB 1.266 30.763 29.460 0.061 0.000 1.454 101 W HN 0.854 nan 8.180 nan 0.000 0.569 102 A N 1.334 124.280 122.820 0.210 0.000 2.566 102 A HA 0.882 5.203 4.320 0.001 0.000 0.297 102 A C -0.306 177.394 177.584 0.194 0.000 1.059 102 A CA 0.032 52.070 52.037 0.002 0.000 0.691 102 A CB 1.098 20.060 19.000 -0.064 0.000 1.282 102 A HN 2.249 nan 8.150 nan 0.000 0.401 103 G N 0.352 109.253 108.800 0.167 0.000 2.361 103 G HA2 0.316 4.277 3.960 0.001 0.000 0.331 103 G HA3 0.316 4.277 3.960 0.001 0.000 0.331 103 G C -1.015 173.993 174.900 0.180 0.000 1.324 103 G CA -0.666 44.532 45.100 0.164 0.000 0.984 103 G HN 0.812 nan 8.290 nan 0.000 0.586 104 K N 0.422 120.879 120.400 0.094 0.000 2.316 104 K HA 0.530 4.851 4.320 0.001 0.000 0.289 104 K C 0.380 176.971 176.600 -0.017 0.000 1.070 104 K CA -0.253 56.059 56.287 0.042 0.000 0.928 104 K CB 0.468 32.963 32.500 -0.008 0.000 1.039 104 K HN 0.705 nan 8.250 nan 0.000 0.480 105 R N 3.789 124.304 120.500 0.026 0.000 2.651 105 R HA 0.268 4.609 4.340 0.001 0.000 0.278 105 R C -1.364 174.942 176.300 0.011 0.000 1.010 105 R CA -0.695 55.353 56.100 -0.086 0.000 0.896 105 R CB 0.640 30.838 30.300 -0.170 0.000 1.211 105 R HN 0.213 nan 8.270 nan 0.000 0.456 106 F N 3.715 123.554 119.950 -0.184 0.000 2.502 106 F HA 0.174 4.702 4.527 0.001 0.000 0.371 106 F C -0.264 175.431 175.800 -0.174 0.000 1.083 106 F CA -0.346 57.548 58.000 -0.176 0.000 1.174 106 F CB 0.203 39.084 39.000 -0.198 0.000 1.096 106 F HN 0.418 nan 8.300 nan 0.000 0.545 107 Y N 4.204 124.417 120.300 -0.146 0.000 2.417 107 Y HA 0.269 4.819 4.550 0.001 0.000 0.336 107 Y C 0.220 175.960 175.900 -0.267 0.000 0.961 107 Y CA -0.821 57.114 58.100 -0.275 0.000 1.215 107 Y CB 0.328 38.624 38.460 -0.274 0.000 1.120 107 Y HN 0.687 nan 8.280 nan 0.000 0.499 108 Q N 4.493 123.979 119.800 -0.523 0.000 2.448 108 Q HA -0.273 4.068 4.340 0.001 0.000 0.356 108 Q C -0.642 175.172 176.000 -0.310 0.000 1.430 108 Q CA 0.718 56.211 55.803 -0.518 0.000 1.011 108 Q CB -0.761 27.526 28.738 -0.751 0.000 1.203 108 Q HN 0.752 nan 8.270 nan 0.000 0.351 109 R N 1.365 121.733 120.500 -0.220 0.000 2.390 109 R HA 0.326 4.667 4.340 0.001 0.000 0.291 109 R C -0.118 176.119 176.300 -0.106 0.000 1.070 109 R CA -0.240 55.795 56.100 -0.109 0.000 1.014 109 R CB 0.752 31.040 30.300 -0.019 0.000 1.007 109 R HN 0.308 nan 8.270 nan 0.000 0.466 110 H N 2.275 121.114 119.070 -0.385 0.000 2.481 110 H HA 0.190 4.746 4.556 0.001 0.000 0.333 110 H C -0.486 174.299 175.328 -0.906 0.000 1.066 110 H CA -0.810 54.885 56.048 -0.588 0.000 1.209 110 H CB 1.658 31.040 29.762 -0.633 0.000 1.445 110 H HN 0.711 nan 8.280 nan 0.000 0.488 111 D N 1.512 121.524 120.400 -0.646 0.000 2.652 111 D HA 0.251 4.891 4.640 0.001 0.000 0.285 111 D C -0.983 175.194 176.300 -0.205 0.000 1.173 111 D CA -0.812 52.760 54.000 -0.714 0.000 0.981 111 D CB 1.869 41.785 40.800 -1.473 0.000 1.440 111 D HN 0.203 nan 8.370 nan 0.000 0.485 112 V N 1.466 121.296 119.914 -0.139 0.000 2.357 112 V HA 0.094 4.215 4.120 0.001 0.000 0.281 112 V C 1.103 177.212 176.094 0.025 0.000 1.015 112 V CA -0.513 61.744 62.300 -0.071 0.000 0.827 112 V CB 0.494 32.247 31.823 -0.118 0.000 1.018 112 V HN 0.738 nan 8.190 nan 0.000 0.432 113 H N 5.351 124.463 119.070 0.069 0.000 2.260 113 H HA -0.298 4.259 4.556 0.001 0.000 0.288 113 H C 2.117 177.487 175.328 0.069 0.000 1.094 113 H CA 3.306 59.412 56.048 0.096 0.000 1.197 113 H CB 0.101 29.986 29.762 0.205 0.000 1.346 113 H HN 0.693 nan 8.280 nan 0.000 0.486 114 M N -0.012 119.655 119.600 0.111 0.000 2.346 114 M HA -0.066 4.415 4.480 0.001 0.000 0.263 114 M C 1.822 178.084 176.300 -0.064 0.000 1.064 114 M CA 2.071 57.407 55.300 0.061 0.000 1.083 114 M CB -0.312 32.404 32.600 0.192 0.000 1.399 114 M HN 0.498 nan 8.290 nan 0.000 0.435 115 I N -3.469 117.029 120.570 -0.120 0.000 4.018 115 I HA 0.287 4.457 4.170 0.001 0.000 0.337 115 I C -0.098 175.975 176.117 -0.073 0.000 1.327 115 I CA -0.151 61.027 61.300 -0.203 0.000 1.100 115 I CB -0.129 37.665 38.000 -0.343 0.000 1.025 115 I HN 0.088 nan 8.210 nan 0.000 0.396 116 D N 1.969 122.316 120.400 -0.089 0.000 2.811 116 D HA -0.281 4.360 4.640 0.001 0.000 0.231 116 D C -0.552 175.806 176.300 0.096 0.000 1.157 116 D CA 0.734 54.700 54.000 -0.057 0.000 0.716 116 D CB -1.147 39.612 40.800 -0.068 0.000 1.077 116 D HN 0.507 nan 8.370 nan 0.000 0.428 117 F N 0.995 120.887 119.950 -0.097 0.000 2.415 117 F HA 0.456 4.984 4.527 0.001 0.000 0.348 117 F C -0.743 175.030 175.800 -0.045 0.000 1.119 117 F CA -0.910 57.089 58.000 -0.002 0.000 1.069 117 F CB 0.612 39.615 39.000 0.006 0.000 1.124 117 F HN -0.151 nan 8.300 nan 0.000 0.472 118 Y N 7.018 127.028 120.300 -0.483 0.000 2.404 118 Y HA 0.160 4.711 4.550 0.001 0.000 0.344 118 Y C 0.247 175.755 175.900 -0.654 0.000 0.970 118 Y CA -0.349 57.461 58.100 -0.484 0.000 1.180 118 Y CB 0.412 38.645 38.460 -0.378 0.000 1.138 118 Y HN 0.641 nan 8.280 nan 0.000 0.510 119 Y N 0.047 120.097 120.300 -0.417 0.000 2.466 119 Y HA 0.233 4.784 4.550 0.001 0.000 0.272 119 Y C -0.296 175.603 175.900 -0.001 0.000 1.169 119 Y CA -0.859 57.055 58.100 -0.311 0.000 1.285 119 Y CB 0.308 38.672 38.460 -0.160 0.000 1.078 119 Y HN 0.464 nan 8.280 nan 0.000 0.523 120 W N 2.550 123.644 121.300 -0.344 0.000 2.725 120 W HA 0.419 5.080 4.660 0.001 0.000 0.305 120 W C -2.238 174.168 176.519 -0.188 0.000 1.045 120 W CA -1.717 55.475 57.345 -0.255 0.000 1.202 120 W CB 1.071 30.277 29.460 -0.423 0.000 1.083 120 W HN 0.076 nan 8.180 nan 0.000 0.343 121 D N 5.478 125.912 120.400 0.057 0.000 2.478 121 D HA 0.246 4.887 4.640 0.001 0.000 0.240 121 D C 0.155 176.410 176.300 -0.074 0.000 1.364 121 D CA -0.258 53.687 54.000 -0.093 0.000 0.987 121 D CB 0.729 41.438 40.800 -0.152 0.000 1.328 121 D HN 0.377 nan 8.370 nan 0.000 0.584 122 I N 0.539 121.067 120.570 -0.069 0.000 3.877 122 I HA 0.342 4.512 4.170 0.001 0.000 0.332 122 I C -0.287 175.800 176.117 -0.050 0.000 1.525 122 I CA -0.526 60.747 61.300 -0.045 0.000 1.146 122 I CB 0.154 38.145 38.000 -0.016 0.000 1.137 122 I HN -0.011 nan 8.210 nan 0.000 0.424 123 S N 1.701 117.362 115.700 -0.065 0.000 2.566 123 S HA 0.649 5.120 4.470 0.001 0.000 0.280 123 S C 0.573 175.170 174.600 -0.006 0.000 1.343 123 S CA 0.255 58.450 58.200 -0.009 0.000 1.036 123 S CB 1.114 64.315 63.200 0.002 0.000 0.866 123 S HN 0.823 nan 8.310 nan 0.000 0.526 124 G N 1.018 109.841 108.800 0.039 0.000 2.344 124 G HA2 0.381 4.342 3.960 0.001 0.000 0.282 124 G HA3 0.381 4.342 3.960 0.001 0.000 0.282 124 G C -3.643 171.281 174.900 0.040 0.000 1.281 124 G CA -0.974 44.137 45.100 0.018 0.000 0.877 124 G HN 0.502 nan 8.290 nan 0.000 0.494 125 P HA 0.579 nan 4.420 nan 0.000 0.274 125 P C 0.468 177.782 177.300 0.023 0.000 1.237 125 P CA 0.982 64.101 63.100 0.032 0.000 0.793 125 P CB 1.483 33.183 31.700 -0.000 0.000 0.977 126 G N -0.721 108.094 108.800 0.026 0.000 2.323 126 G HA2 0.584 4.545 3.960 0.001 0.000 0.291 126 G HA3 0.584 4.545 3.960 0.001 0.000 0.291 126 G C -2.158 172.510 174.900 -0.386 0.000 1.278 126 G CA 0.117 45.151 45.100 -0.111 0.000 0.860 126 G HN 0.600 nan 8.290 nan 0.000 0.504 127 A N -1.890 120.450 122.820 -0.800 0.000 2.601 127 A HA 1.132 5.452 4.320 0.001 0.000 0.291 127 A C -0.163 176.596 177.584 -1.376 0.000 1.075 127 A CA 0.411 51.683 52.037 -1.275 0.000 0.671 127 A CB 1.421 20.055 19.000 -0.610 0.000 1.277 127 A HN 2.650 nan 8.150 nan 0.000 0.417 128 G N -1.065 106.808 108.800 -1.545 0.000 2.466 128 G HA2 0.618 4.579 3.960 0.001 0.000 0.291 128 G HA3 0.618 4.579 3.960 0.001 0.000 0.291 128 G C -2.393 172.325 174.900 -0.304 0.000 1.460 128 G CA -0.517 44.168 45.100 -0.693 0.000 0.791 128 G HN 1.561 nan 8.290 nan 0.000 0.505 129 L N 0.830 122.055 121.223 0.004 0.000 2.294 129 L HA 0.676 5.017 4.340 0.001 0.000 0.283 129 L C 0.051 177.040 176.870 0.198 0.000 1.015 129 L CA -0.647 54.241 54.840 0.080 0.000 0.831 129 L CB 1.156 43.232 42.059 0.028 0.000 1.217 129 L HN 0.642 nan 8.230 nan 0.000 0.420 130 E N 3.786 124.134 120.200 0.247 0.000 2.202 130 E HA 0.339 4.690 4.350 0.001 0.000 0.272 130 E C -0.361 176.298 176.600 0.098 0.000 0.951 130 E CA -0.578 55.953 56.400 0.220 0.000 0.813 130 E CB 0.822 30.672 29.700 0.250 0.000 1.151 130 E HN 0.615 nan 8.360 nan 0.000 0.398 131 N N 2.264 121.000 118.700 0.060 0.000 2.708 131 N HA -0.201 4.540 4.740 0.001 0.000 0.255 131 N C -0.897 174.619 175.510 0.010 0.000 1.046 131 N CA 0.785 53.843 53.050 0.013 0.000 0.715 131 N CB -1.207 37.271 38.487 -0.015 0.000 0.895 131 N HN 0.497 nan 8.380 nan 0.000 0.545 132 I N 0.192 120.775 120.570 0.021 0.000 2.441 132 I HA 0.044 4.214 4.170 0.001 0.000 0.287 132 I C 0.964 177.073 176.117 -0.014 0.000 1.049 132 I CA -0.260 61.051 61.300 0.018 0.000 1.381 132 I CB 0.702 38.726 38.000 0.040 0.000 1.409 132 I HN -0.008 nan 8.210 nan 0.000 0.523 133 D N 6.355 126.746 120.400 -0.015 0.000 2.336 133 D HA 0.111 4.752 4.640 0.001 0.000 0.249 133 D C 0.350 176.607 176.300 -0.072 0.000 1.213 133 D CA -0.048 53.924 54.000 -0.048 0.000 0.870 133 D CB 1.396 42.181 40.800 -0.024 0.000 1.076 133 D HN 0.208 nan 8.370 nan 0.000 0.483 134 V N 3.767 123.572 119.914 -0.181 0.000 3.249 134 V HA 0.275 4.396 4.120 0.001 0.000 0.338 134 V C 1.733 177.639 176.094 -0.313 0.000 1.363 134 V CA 0.416 62.559 62.300 -0.263 0.000 1.205 134 V CB -0.187 31.387 31.823 -0.414 0.000 1.164 134 V HN 0.875 nan 8.190 nan 0.000 0.458 135 G N 2.089 110.799 108.800 -0.150 0.000 5.045 135 G HA2 -0.421 3.539 3.960 0.001 0.000 0.229 135 G HA3 -0.421 3.539 3.960 0.001 0.000 0.229 135 G C 0.695 175.621 174.900 0.044 0.000 1.440 135 G CA 0.730 45.834 45.100 0.007 0.000 0.936 135 G HN 0.600 nan 8.290 nan 0.000 0.690 136 F N 1.716 121.688 119.950 0.037 0.000 2.558 136 F HA 0.544 5.072 4.527 0.001 0.000 0.298 136 F C 1.291 177.116 175.800 0.041 0.000 1.119 136 F CA 0.469 58.491 58.000 0.037 0.000 1.451 136 F CB -0.598 38.425 39.000 0.039 0.000 1.091 136 F HN 0.973 nan 8.300 nan 0.000 0.563 137 G N -0.099 108.463 108.800 -0.397 0.000 2.488 137 G HA2 0.440 4.401 3.960 0.001 0.000 0.301 137 G HA3 0.440 4.401 3.960 0.001 0.000 0.301 137 G C -1.825 172.911 174.900 -0.273 0.000 1.339 137 G CA -1.332 43.635 45.100 -0.222 0.000 0.803 137 G HN 0.012 nan 8.290 nan 0.000 0.482 138 K N -0.075 120.244 120.400 -0.135 0.000 2.235 138 K HA 0.550 4.871 4.320 0.001 0.000 0.266 138 K C -1.187 175.384 176.600 -0.048 0.000 0.980 138 K CA -0.628 55.604 56.287 -0.092 0.000 0.849 138 K CB 2.387 34.853 32.500 -0.056 0.000 1.098 138 K HN 0.284 nan 8.250 nan 0.000 0.445 139 L N 2.141 123.343 121.223 -0.035 0.000 2.296 139 L HA 0.350 4.690 4.340 0.001 0.000 0.286 139 L C -1.029 175.882 176.870 0.069 0.000 1.023 139 L CA 0.203 55.059 54.840 0.026 0.000 0.812 139 L CB 1.517 43.587 42.059 0.019 0.000 1.223 139 L HN 0.545 nan 8.230 nan 0.000 0.421 140 S N 5.670 121.439 115.700 0.116 0.000 2.526 140 S HA 0.768 5.239 4.470 0.001 0.000 0.293 140 S C -0.825 173.902 174.600 0.211 0.000 1.092 140 S CA -0.751 57.550 58.200 0.169 0.000 0.980 140 S CB 1.643 64.951 63.200 0.180 0.000 1.048 140 S HN 0.518 nan 8.310 nan 0.000 0.483 141 L N 1.657 123.007 121.223 0.212 0.000 2.381 141 L HA 0.939 5.280 4.340 0.001 0.000 0.268 141 L C -0.322 176.630 176.870 0.138 0.000 0.997 141 L CA -0.737 54.206 54.840 0.172 0.000 0.818 141 L CB 1.897 44.025 42.059 0.115 0.000 1.310 141 L HN 0.873 nan 8.230 nan 0.000 0.416 142 A N 2.105 124.969 122.820 0.075 0.000 2.604 142 A HA 0.900 5.221 4.320 0.001 0.000 0.295 142 A C -1.615 175.934 177.584 -0.058 0.000 1.067 142 A CA -0.397 51.593 52.037 -0.078 0.000 0.683 142 A CB 1.928 20.763 19.000 -0.275 0.000 1.281 142 A HN 0.763 nan 8.150 nan 0.000 0.407 143 A N 0.992 123.723 122.820 -0.148 0.000 2.335 143 A HA 0.864 5.185 4.320 0.001 0.000 0.304 143 A C -0.049 177.404 177.584 -0.218 0.000 1.118 143 A CA 0.191 52.134 52.037 -0.157 0.000 0.757 143 A CB 0.767 19.735 19.000 -0.053 0.000 1.188 143 A HN 2.038 nan 8.150 nan 0.000 0.460 144 T N -0.299 114.113 114.554 -0.237 0.000 2.926 144 T HA 0.833 5.184 4.350 0.001 0.000 0.289 144 T C -0.258 174.318 174.700 -0.206 0.000 1.054 144 T CA -0.836 61.164 62.100 -0.166 0.000 1.015 144 T CB 1.723 70.526 68.868 -0.108 0.000 1.167 144 T HN 0.869 nan 8.240 nan 0.000 0.526 145 R N -0.074 120.339 120.500 -0.145 0.000 2.854 145 R HA 0.770 5.110 4.340 0.001 0.000 0.271 145 R C -1.018 175.215 176.300 -0.113 0.000 0.994 145 R CA -0.463 55.549 56.100 -0.146 0.000 0.945 145 R CB 1.884 32.112 30.300 -0.120 0.000 1.194 145 R HN 1.086 nan 8.270 nan 0.000 0.476 146 S N 0.322 115.951 115.700 -0.118 0.000 2.671 146 S HA 0.688 5.158 4.470 0.001 0.000 0.277 146 S C -1.324 173.221 174.600 -0.092 0.000 1.165 146 S CA -0.653 57.489 58.200 -0.096 0.000 0.822 146 S CB 1.682 64.820 63.200 -0.103 0.000 1.150 146 S HN 0.761 nan 8.310 nan 0.000 0.479 147 S N 0.113 115.767 115.700 -0.075 0.000 2.584 147 S HA 0.391 4.861 4.470 0.001 0.000 0.280 147 S C -1.312 173.257 174.600 -0.052 0.000 1.162 147 S CA -0.783 57.376 58.200 -0.069 0.000 0.951 147 S CB 0.891 64.050 63.200 -0.067 0.000 1.108 147 S HN 0.841 nan 8.310 nan 0.000 0.464 148 E N 3.106 123.278 120.200 -0.046 0.000 2.343 148 E HA 0.551 4.902 4.350 0.001 0.000 0.269 148 E C 1.446 178.050 176.600 0.007 0.000 1.047 148 E CA -0.474 55.913 56.400 -0.022 0.000 0.874 148 E CB 0.986 30.670 29.700 -0.027 0.000 1.033 148 E HN 0.718 nan 8.360 nan 0.000 0.409 149 A N 3.176 126.020 122.820 0.040 0.000 1.940 149 A HA -0.098 4.223 4.320 0.001 0.000 0.221 149 A C 1.103 178.728 177.584 0.069 0.000 1.190 149 A CA 1.934 53.998 52.037 0.045 0.000 0.647 149 A CB -0.624 18.420 19.000 0.073 0.000 0.821 149 A HN 0.780 nan 8.150 nan 0.000 0.457 150 G N -5.967 102.968 108.800 0.225 0.000 2.645 150 G HA2 0.575 4.536 3.960 0.001 0.000 0.292 150 G HA3 0.575 4.536 3.960 0.001 0.000 0.292 150 G C 0.248 175.270 174.900 0.203 0.000 1.415 150 G CA 0.290 45.537 45.100 0.244 0.000 0.785 150 G HN 1.462 nan 8.290 nan 0.000 0.483 151 G N -1.406 107.484 108.800 0.150 0.000 2.870 151 G HA2 0.165 4.126 3.960 0.001 0.000 0.216 151 G HA3 0.165 4.126 3.960 0.001 0.000 0.216 151 G C 0.175 175.068 174.900 -0.012 0.000 0.973 151 G CA 0.800 45.939 45.100 0.065 0.000 0.807 151 G HN 1.124 nan 8.290 nan 0.000 0.573 152 S N -0.283 115.384 115.700 -0.054 0.000 2.621 152 S HA 0.845 5.315 4.470 0.001 0.000 0.302 152 S C -0.433 173.986 174.600 -0.303 0.000 1.093 152 S CA -0.043 58.061 58.200 -0.161 0.000 1.017 152 S CB 2.003 65.207 63.200 0.007 0.000 1.077 152 S HN 0.602 nan 8.310 nan 0.000 0.517 153 S N 0.381 115.763 115.700 -0.530 0.000 2.536 153 S HA 0.381 4.851 4.470 0.001 0.000 0.287 153 S C 0.980 175.147 174.600 -0.722 0.000 1.101 153 S CA -0.483 57.317 58.200 -0.668 0.000 0.950 153 S CB 1.266 63.838 63.200 -1.046 0.000 1.056 153 S HN 0.757 nan 8.310 nan 0.000 0.481 154 S N 2.736 117.955 115.700 -0.801 0.000 2.474 154 S HA 0.141 4.612 4.470 0.001 0.000 0.235 154 S C 0.305 174.612 174.600 -0.488 0.000 0.997 154 S CA 0.430 58.071 58.200 -0.932 0.000 0.949 154 S CB -0.771 62.170 63.200 -0.432 0.000 0.766 154 S HN 0.833 nan 8.310 nan 0.000 0.517 155 F N -1.301 118.481 119.950 -0.281 0.000 2.686 155 F HA 0.859 5.386 4.527 0.001 0.000 0.311 155 F C -0.561 175.203 175.800 -0.060 0.000 1.128 155 F CA -1.893 56.022 58.000 -0.142 0.000 0.946 155 F CB 0.829 39.780 39.000 -0.081 0.000 1.336 155 F HN 0.019 nan 8.300 nan 0.000 0.457 156 A N 1.602 124.585 122.820 0.272 0.000 2.450 156 A HA 0.660 4.981 4.320 0.001 0.000 0.255 156 A C -0.108 177.747 177.584 0.451 0.000 1.096 156 A CA 0.471 52.647 52.037 0.230 0.000 0.778 156 A CB -0.496 18.605 19.000 0.168 0.000 1.031 156 A HN 1.496 nan 8.150 nan 0.000 0.494 157 S N 1.459 117.371 115.700 0.353 0.000 2.579 157 S HA 0.465 4.935 4.470 0.001 0.000 0.272 157 S C -0.035 174.667 174.600 0.171 0.000 1.141 157 S CA -0.906 57.516 58.200 0.370 0.000 0.843 157 S CB 1.390 64.882 63.200 0.486 0.000 1.122 157 S HN 0.566 nan 8.310 nan 0.000 0.468 158 N N 0.689 119.450 118.700 0.101 0.000 2.325 158 N HA 0.099 4.840 4.740 0.001 0.000 0.182 158 N C -0.304 175.170 175.510 -0.060 0.000 1.088 158 N CA 0.072 53.127 53.050 0.008 0.000 0.879 158 N CB -0.043 38.463 38.487 0.032 0.000 0.983 158 N HN 0.680 nan 8.380 nan 0.000 0.471 159 N N 1.590 120.287 118.700 -0.005 0.000 2.430 159 N HA 0.116 4.856 4.740 0.001 0.000 0.265 159 N C 1.186 176.597 175.510 -0.165 0.000 1.100 159 N CA -0.203 52.863 53.050 0.026 0.000 0.961 159 N CB 1.135 39.719 38.487 0.162 0.000 1.075 159 N HN 0.007 nan 8.380 nan 0.000 0.478 160 I N 3.475 123.929 120.570 -0.193 0.000 2.226 160 I HA -0.304 3.866 4.170 0.001 0.000 0.245 160 I C 0.923 176.919 176.117 -0.202 0.000 1.100 160 I CA 1.344 62.397 61.300 -0.411 0.000 1.374 160 I CB -0.078 37.678 38.000 -0.407 0.000 1.057 160 I HN 0.704 nan 8.210 nan 0.000 0.413 161 Y N 0.399 120.688 120.300 -0.019 0.000 2.736 161 Y HA -0.233 4.318 4.550 0.001 0.000 0.298 161 Y C 1.929 177.895 175.900 0.110 0.000 1.156 161 Y CA 0.636 58.785 58.100 0.080 0.000 1.384 161 Y CB -0.739 37.775 38.460 0.091 0.000 0.976 161 Y HN 0.235 nan 8.280 nan 0.000 0.556 162 D N -1.731 118.813 120.400 0.240 0.000 2.348 162 D HA -0.058 4.582 4.640 0.001 0.000 0.211 162 D C -0.079 176.394 176.300 0.287 0.000 0.998 162 D CA 0.529 54.668 54.000 0.232 0.000 0.873 162 D CB -0.023 40.878 40.800 0.168 0.000 0.925 162 D HN 0.257 nan 8.370 nan 0.000 0.524 163 Y N 1.125 121.409 120.300 -0.028 0.000 2.767 163 Y HA 0.165 4.716 4.550 0.001 0.000 0.354 163 Y C 1.348 177.313 175.900 0.108 0.000 1.292 163 Y CA -0.670 57.417 58.100 -0.022 0.000 1.749 163 Y CB -0.610 37.815 38.460 -0.058 0.000 1.841 163 Y HN -0.170 nan 8.280 nan 0.000 0.454 164 T N -3.902 110.785 114.554 0.222 0.000 3.129 164 T HA 0.200 4.551 4.350 0.001 0.000 0.267 164 T C 0.217 174.975 174.700 0.097 0.000 1.018 164 T CA -0.444 61.789 62.100 0.222 0.000 0.903 164 T CB -0.099 68.834 68.868 0.108 0.000 1.067 164 T HN 0.160 nan 8.240 nan 0.000 0.549 165 N N 2.942 121.694 118.700 0.086 0.000 2.472 165 N HA 0.150 4.891 4.740 0.001 0.000 0.277 165 N C -0.225 175.303 175.510 0.030 0.000 1.081 165 N CA -0.250 52.834 53.050 0.057 0.000 0.973 165 N CB 1.512 40.071 38.487 0.120 0.000 1.105 165 N HN 0.550 nan 8.380 nan 0.000 0.470 166 E N 0.929 121.125 120.200 -0.007 0.000 2.558 166 E HA -0.074 4.277 4.350 0.001 0.000 0.255 166 E C -0.496 176.075 176.600 -0.048 0.000 0.968 166 E CA 0.437 56.822 56.400 -0.025 0.000 0.939 166 E CB 0.484 30.156 29.700 -0.046 0.000 0.921 166 E HN 0.396 nan 8.360 nan 0.000 0.477 167 T N 2.895 117.424 114.554 -0.043 0.000 2.815 167 T HA 0.595 4.945 4.350 0.001 0.000 0.289 167 T C -0.595 174.060 174.700 -0.075 0.000 1.000 167 T CA -0.423 61.637 62.100 -0.067 0.000 0.958 167 T CB 0.945 69.782 68.868 -0.052 0.000 0.944 167 T HN 0.506 nan 8.240 nan 0.000 0.442 168 A N 4.909 127.675 122.820 -0.091 0.000 2.354 168 A HA 0.687 5.007 4.320 0.001 0.000 0.269 168 A C -0.027 177.495 177.584 -0.103 0.000 1.109 168 A CA -0.579 51.401 52.037 -0.095 0.000 0.800 168 A CB 0.090 19.032 19.000 -0.098 0.000 1.045 168 A HN 0.878 nan 8.150 nan 0.000 0.489 169 N N 1.081 119.709 118.700 -0.120 0.000 2.319 169 N HA 0.564 5.304 4.740 0.001 0.000 0.305 169 N C -1.562 173.828 175.510 -0.201 0.000 1.103 169 N CA -0.555 52.404 53.050 -0.152 0.000 0.815 169 N CB 1.627 40.021 38.487 -0.156 0.000 1.288 169 N HN 0.554 nan 8.380 nan 0.000 0.493 170 D N 0.061 120.302 120.400 -0.266 0.000 2.340 170 D HA 0.585 5.226 4.640 0.001 0.000 0.240 170 D C -0.697 175.217 176.300 -0.643 0.000 1.001 170 D CA -0.312 53.423 54.000 -0.440 0.000 0.888 170 D CB 2.117 42.650 40.800 -0.445 0.000 1.310 170 D HN 0.045 nan 8.370 nan 0.000 0.474 171 V N 1.364 120.801 119.914 -0.795 0.000 2.709 171 V HA 0.500 4.621 4.120 0.001 0.000 0.308 171 V C -1.037 174.562 176.094 -0.824 0.000 1.062 171 V CA -0.837 61.065 62.300 -0.664 0.000 0.901 171 V CB 1.637 33.256 31.823 -0.341 0.000 1.003 171 V HN 0.336 nan 8.190 nan 0.000 0.425 172 F N 2.332 122.260 119.950 -0.037 0.000 2.477 172 F HA 0.561 5.089 4.527 0.001 0.000 0.335 172 F C 0.026 175.858 175.800 0.052 0.000 1.130 172 F CA -0.624 57.385 58.000 0.016 0.000 0.948 172 F CB 1.585 40.622 39.000 0.062 0.000 1.154 172 F HN 0.493 nan 8.300 nan 0.000 0.439 173 D N 2.670 123.200 120.400 0.217 0.000 2.481 173 D HA 0.661 5.302 4.640 0.001 0.000 0.244 173 D C -1.649 174.799 176.300 0.247 0.000 1.057 173 D CA -0.326 53.808 54.000 0.224 0.000 0.848 173 D CB 2.743 43.646 40.800 0.172 0.000 1.388 173 D HN 0.348 nan 8.370 nan 0.000 0.475 174 V N 3.662 123.748 119.914 0.286 0.000 2.733 174 V HA 0.526 4.647 4.120 0.001 0.000 0.306 174 V C -0.465 175.814 176.094 0.308 0.000 1.084 174 V CA -0.663 61.798 62.300 0.268 0.000 0.905 174 V CB 2.112 34.083 31.823 0.246 0.000 1.010 174 V HN 0.546 nan 8.190 nan 0.000 0.424 175 R N 3.464 124.128 120.500 0.274 0.000 2.771 175 R HA 0.792 5.133 4.340 0.001 0.000 0.274 175 R C -1.558 174.866 176.300 0.207 0.000 0.987 175 R CA -0.648 55.625 56.100 0.289 0.000 0.908 175 R CB 2.666 33.140 30.300 0.290 0.000 1.213 175 R HN 0.612 nan 8.270 nan 0.000 0.468 176 L N 1.489 122.837 121.223 0.208 0.000 2.441 176 L HA 0.818 5.159 4.340 0.001 0.000 0.270 176 L C -1.267 175.691 176.870 0.148 0.000 0.973 176 L CA -0.275 54.652 54.840 0.146 0.000 0.842 176 L CB 1.626 43.789 42.059 0.174 0.000 1.239 176 L HN 0.911 nan 8.230 nan 0.000 0.406 177 A N 2.658 125.532 122.820 0.090 0.000 2.486 177 A HA 0.581 4.902 4.320 0.001 0.000 0.277 177 A C -0.328 177.285 177.584 0.050 0.000 1.282 177 A CA -0.384 51.707 52.037 0.090 0.000 0.784 177 A CB 1.425 20.474 19.000 0.082 0.000 1.350 177 A HN 0.692 nan 8.150 nan 0.000 0.454 178 Q N -1.324 118.503 119.800 0.044 0.000 2.457 178 Q HA -0.188 4.153 4.340 0.001 0.000 0.283 178 Q C -0.719 175.311 176.000 0.050 0.000 1.234 178 Q CA 1.032 56.849 55.803 0.022 0.000 0.877 178 Q CB -1.478 27.253 28.738 -0.012 0.000 1.250 178 Q HN 0.631 nan 8.270 nan 0.000 0.481 179 M N 0.985 120.641 119.600 0.094 0.000 2.120 179 M HA 0.112 4.592 4.480 0.001 0.000 0.354 179 M C 0.035 176.405 176.300 0.117 0.000 1.287 179 M CA 0.187 55.571 55.300 0.139 0.000 1.103 179 M CB 0.748 33.465 32.600 0.195 0.000 1.623 179 M HN -0.032 nan 8.290 nan 0.000 0.471 180 E N 3.613 123.875 120.200 0.103 0.000 1.802 180 E HA 0.073 4.424 4.350 0.001 0.000 0.265 180 E C 0.673 177.332 176.600 0.099 0.000 1.168 180 E CA -0.069 56.382 56.400 0.086 0.000 1.033 180 E CB -0.090 29.649 29.700 0.064 0.000 1.095 180 E HN 0.534 nan 8.360 nan 0.000 0.436 181 I N 1.341 121.985 120.570 0.123 0.000 2.614 181 I HA -0.139 4.032 4.170 0.001 0.000 0.258 181 I C 0.835 177.014 176.117 0.102 0.000 1.189 181 I CA 1.154 62.524 61.300 0.116 0.000 1.462 181 I CB -1.588 36.497 38.000 0.141 0.000 1.092 181 I HN 0.518 nan 8.210 nan 0.000 0.442 182 N N 0.591 119.361 118.700 0.118 0.000 3.243 182 N HA 0.309 5.050 4.740 0.001 0.000 0.280 182 N C -3.037 172.522 175.510 0.083 0.000 1.545 182 N CA -1.227 51.881 53.050 0.096 0.000 0.854 182 N CB 1.588 40.136 38.487 0.101 0.000 1.612 182 N HN -0.306 nan 8.380 nan 0.000 0.577 183 P HA 0.183 nan 4.420 nan 0.000 0.275 183 P C 0.648 177.984 177.300 0.060 0.000 1.276 183 P CA 0.860 63.992 63.100 0.054 0.000 0.782 183 P CB 0.465 32.191 31.700 0.042 0.000 0.851 184 G N 2.509 111.337 108.800 0.047 0.000 2.217 184 G HA2 -0.152 3.808 3.960 0.001 0.000 0.246 184 G HA3 -0.152 3.808 3.960 0.001 0.000 0.246 184 G C 0.426 175.336 174.900 0.018 0.000 0.990 184 G CA -0.166 44.957 45.100 0.037 0.000 0.627 184 G HN 0.889 nan 8.290 nan 0.000 0.522 185 G N -0.478 108.348 108.800 0.044 0.000 2.410 185 G HA2 0.727 4.688 3.960 0.001 0.000 0.330 185 G HA3 0.727 4.688 3.960 0.001 0.000 0.330 185 G C -0.352 174.530 174.900 -0.030 0.000 1.142 185 G CA 0.612 45.692 45.100 -0.033 0.000 0.902 185 G HN 0.775 nan 8.290 nan 0.000 0.491 186 T N -0.193 114.272 114.554 -0.148 0.000 2.906 186 T HA 0.604 4.955 4.350 0.001 0.000 0.295 186 T C -1.281 173.455 174.700 0.061 0.000 1.075 186 T CA -0.531 61.562 62.100 -0.013 0.000 1.005 186 T CB 2.019 70.866 68.868 -0.034 0.000 1.136 186 T HN 0.458 nan 8.240 nan 0.000 0.498 187 L N 1.545 122.849 121.223 0.136 0.000 2.409 187 L HA 0.657 4.998 4.340 0.001 0.000 0.272 187 L C -0.805 176.176 176.870 0.185 0.000 0.980 187 L CA -0.386 54.571 54.840 0.194 0.000 0.826 187 L CB 1.858 44.043 42.059 0.210 0.000 1.268 187 L HN 0.803 nan 8.230 nan 0.000 0.407 188 E N 3.661 123.992 120.200 0.219 0.000 2.212 188 E HA 0.666 5.017 4.350 0.001 0.000 0.268 188 E C -1.871 174.882 176.600 0.255 0.000 0.902 188 E CA -0.739 55.812 56.400 0.252 0.000 0.779 188 E CB 1.621 31.520 29.700 0.330 0.000 1.172 188 E HN 0.533 nan 8.360 nan 0.000 0.409 189 L N 2.511 123.888 121.223 0.257 0.000 2.408 189 L HA 0.736 5.077 4.340 0.001 0.000 0.268 189 L C -0.308 176.735 176.870 0.287 0.000 0.986 189 L CA -0.288 54.687 54.840 0.225 0.000 0.820 189 L CB 2.106 44.283 42.059 0.196 0.000 1.303 189 L HN 0.638 nan 8.230 nan 0.000 0.411 190 G N 1.815 110.763 108.800 0.246 0.000 2.659 190 G HA2 0.678 4.639 3.960 0.001 0.000 0.296 190 G HA3 0.678 4.639 3.960 0.001 0.000 0.296 190 G C -2.077 173.006 174.900 0.305 0.000 1.369 190 G CA -0.504 44.808 45.100 0.354 0.000 0.937 190 G HN 0.307 nan 8.290 nan 0.000 0.485 191 V N 1.555 121.689 119.914 0.367 0.000 2.531 191 V HA 0.486 4.607 4.120 0.001 0.000 0.301 191 V C -1.240 175.023 176.094 0.282 0.000 1.034 191 V CA -0.855 61.670 62.300 0.374 0.000 0.865 191 V CB 2.022 34.162 31.823 0.529 0.000 0.995 191 V HN 0.721 nan 8.190 nan 0.000 0.424 192 D N 3.038 123.512 120.400 0.123 0.000 2.375 192 D HA 0.374 5.015 4.640 0.001 0.000 0.247 192 D C -1.510 174.697 176.300 -0.155 0.000 1.061 192 D CA -0.190 53.838 54.000 0.047 0.000 0.834 192 D CB 2.743 43.567 40.800 0.041 0.000 1.247 192 D HN 0.531 nan 8.370 nan 0.000 0.489 193 Y N 1.084 121.205 120.300 -0.298 0.000 2.332 193 Y HA 0.498 5.049 4.550 0.001 0.000 0.326 193 Y C -0.439 175.285 175.900 -0.293 0.000 0.978 193 Y CA -0.687 57.056 58.100 -0.595 0.000 1.205 193 Y CB 1.501 39.554 38.460 -0.677 0.000 1.131 193 Y HN 0.379 nan 8.280 nan 0.000 0.462 194 G N 6.036 114.223 108.800 -1.022 0.000 2.448 194 G HA2 0.704 4.665 3.960 0.001 0.000 0.324 194 G HA3 0.704 4.665 3.960 0.001 0.000 0.324 194 G C -1.614 172.804 174.900 -0.803 0.000 1.203 194 G CA -1.204 43.452 45.100 -0.740 0.000 0.954 194 G HN 0.845 nan 8.290 nan 0.000 0.480 195 R N -0.025 120.189 120.500 -0.476 0.000 2.680 195 R HA 0.736 5.076 4.340 0.001 0.000 0.269 195 R C -0.833 175.371 176.300 -0.160 0.000 1.026 195 R CA -0.898 55.030 56.100 -0.287 0.000 0.889 195 R CB 1.467 31.680 30.300 -0.144 0.000 1.241 195 R HN 0.740 nan 8.270 nan 0.000 0.463 196 A N 2.040 124.796 122.820 -0.106 0.000 2.362 196 A HA 0.238 4.559 4.320 0.001 0.000 0.276 196 A C -0.580 176.973 177.584 -0.053 0.000 1.153 196 A CA -0.553 51.434 52.037 -0.085 0.000 0.813 196 A CB 0.356 19.314 19.000 -0.071 0.000 1.081 196 A HN 0.695 nan 8.150 nan 0.000 0.507 197 N N 3.260 121.925 118.700 -0.059 0.000 2.527 197 N HA 0.359 5.100 4.740 0.001 0.000 0.236 197 N C -1.025 174.448 175.510 -0.062 0.000 0.999 197 N CA -0.220 52.807 53.050 -0.038 0.000 0.935 197 N CB 0.148 38.615 38.487 -0.033 0.000 1.132 197 N HN 0.559 nan 8.380 nan 0.000 0.511 198 L N 2.323 123.516 121.223 -0.051 0.000 2.371 198 L HA 0.411 4.751 4.340 0.001 0.000 0.272 198 L C 1.396 178.203 176.870 -0.105 0.000 1.124 198 L CA -0.692 54.104 54.840 -0.074 0.000 0.816 198 L CB 0.807 42.850 42.059 -0.026 0.000 1.129 198 L HN 0.344 nan 8.230 nan 0.000 0.448 199 R N 0.787 121.147 120.500 -0.232 0.000 2.738 199 R HA -0.015 4.325 4.340 0.001 0.000 0.268 199 R C -0.336 175.916 176.300 -0.079 0.000 1.062 199 R CA -0.445 55.479 56.100 -0.292 0.000 1.158 199 R CB 0.338 30.173 30.300 -0.774 0.000 1.046 199 R HN 0.495 nan 8.270 nan 0.000 0.493 200 D N 1.892 122.282 120.400 -0.017 0.000 2.472 200 D HA -0.076 4.564 4.640 0.001 0.000 0.248 200 D C -0.008 176.405 176.300 0.189 0.000 1.174 200 D CA 1.083 55.123 54.000 0.067 0.000 0.883 200 D CB 0.256 41.085 40.800 0.049 0.000 1.149 200 D HN 0.536 nan 8.370 nan 0.000 0.488 201 N N 1.375 120.171 118.700 0.160 0.000 2.941 201 N HA -0.238 4.503 4.740 0.001 0.000 0.201 201 N C -0.545 175.060 175.510 0.160 0.000 0.944 201 N CA 0.728 53.865 53.050 0.145 0.000 1.027 201 N CB -1.316 37.231 38.487 0.101 0.000 0.992 201 N HN 0.383 nan 8.380 nan 0.000 0.585 202 Y N 1.458 121.720 120.300 -0.062 0.000 2.426 202 Y HA 0.371 4.922 4.550 0.001 0.000 0.344 202 Y C 1.543 177.363 175.900 -0.134 0.000 1.256 202 Y CA 0.392 58.422 58.100 -0.117 0.000 1.451 202 Y CB 0.507 38.888 38.460 -0.132 0.000 1.342 202 Y HN -0.124 nan 8.280 nan 0.000 0.600 203 R N 1.087 121.531 120.500 -0.093 0.000 2.837 203 R HA 0.655 4.995 4.340 0.001 0.000 0.271 203 R C -1.286 174.863 176.300 -0.252 0.000 0.993 203 R CA -1.024 54.996 56.100 -0.134 0.000 0.931 203 R CB 2.072 32.287 30.300 -0.141 0.000 1.206 203 R HN 0.546 nan 8.270 nan 0.000 0.474 204 L N 0.734 121.882 121.223 -0.124 0.000 2.331 204 L HA 0.491 4.832 4.340 0.001 0.000 0.268 204 L C 0.405 177.362 176.870 0.144 0.000 1.015 204 L CA -1.225 53.569 54.840 -0.078 0.000 0.807 204 L CB 1.511 43.563 42.059 -0.013 0.000 1.293 204 L HN 0.263 nan 8.230 nan 0.000 0.451 205 V N 0.333 120.466 119.914 0.366 0.000 3.332 205 V HA -0.085 4.036 4.120 0.001 0.000 0.305 205 V C -0.118 176.056 176.094 0.133 0.000 1.114 205 V CA 0.094 62.601 62.300 0.345 0.000 1.194 205 V CB 0.630 32.530 31.823 0.130 0.000 1.027 205 V HN 0.641 nan 8.190 nan 0.000 0.492 206 D N 1.890 122.334 120.400 0.074 0.000 2.350 206 D HA 0.443 5.084 4.640 0.001 0.000 0.249 206 D C 0.963 177.274 176.300 0.017 0.000 1.119 206 D CA 1.153 55.179 54.000 0.043 0.000 0.886 206 D CB 1.195 42.013 40.800 0.030 0.000 1.195 206 D HN 0.904 nan 8.370 nan 0.000 0.437 207 G N 1.240 110.051 108.800 0.017 0.000 2.217 207 G HA2 -0.228 3.733 3.960 0.001 0.000 0.246 207 G HA3 -0.228 3.733 3.960 0.001 0.000 0.246 207 G C 0.573 175.468 174.900 -0.008 0.000 0.990 207 G CA 0.185 45.287 45.100 0.003 0.000 0.627 207 G HN 0.870 nan 8.290 nan 0.000 0.522 208 A N 0.853 123.671 122.820 -0.002 0.000 2.567 208 A HA 0.554 4.875 4.320 0.001 0.000 0.240 208 A C 1.869 179.446 177.584 -0.011 0.000 1.053 208 A CA 1.445 53.472 52.037 -0.016 0.000 0.755 208 A CB 0.156 19.157 19.000 0.002 0.000 0.978 208 A HN 1.782 nan 8.150 nan 0.000 0.507 209 S N 2.380 118.063 115.700 -0.028 0.000 2.370 209 S HA -0.225 4.246 4.470 0.001 0.000 0.226 209 S C 1.402 176.004 174.600 0.004 0.000 1.033 209 S CA 1.356 59.552 58.200 -0.007 0.000 1.011 209 S CB -0.441 62.745 63.200 -0.023 0.000 0.852 209 S HN 0.911 nan 8.310 nan 0.000 0.457 210 K N 0.249 120.638 120.400 -0.019 0.000 5.503 210 K HA -0.261 4.060 4.320 0.001 0.000 0.447 210 K C -0.067 176.501 176.600 -0.054 0.000 0.396 210 K CA 2.170 58.444 56.287 -0.022 0.000 1.904 210 K CB -1.810 30.696 32.500 0.011 0.000 0.786 210 K HN 0.759 nan 8.250 nan 0.000 0.639 211 D N -1.125 119.249 120.400 -0.044 0.000 2.867 211 D HA 0.702 5.342 4.640 0.001 0.000 0.308 211 D C 0.139 176.366 176.300 -0.121 0.000 1.202 211 D CA 0.134 54.047 54.000 -0.144 0.000 1.035 211 D CB 1.157 41.891 40.800 -0.111 0.000 1.427 211 D HN 0.351 nan 8.370 nan 0.000 0.570 212 G N -2.507 106.138 108.800 -0.258 0.000 2.322 212 G HA2 0.437 4.397 3.960 0.001 0.000 0.295 212 G HA3 0.437 4.397 3.960 0.001 0.000 0.295 212 G C -2.358 172.301 174.900 -0.401 0.000 1.369 212 G CA -1.090 43.937 45.100 -0.122 0.000 0.821 212 G HN 0.318 nan 8.290 nan 0.000 0.536 213 W N -0.917 120.344 121.300 -0.064 0.000 2.936 213 W HA 0.760 5.420 4.660 0.001 0.000 0.338 213 W C -0.845 175.431 176.519 -0.405 0.000 1.121 213 W CA -0.803 56.391 57.345 -0.252 0.000 1.209 213 W CB 2.328 31.569 29.460 -0.365 0.000 1.420 213 W HN 0.494 nan 8.180 nan 0.000 0.516 214 L N 2.906 123.907 121.223 -0.370 0.000 2.409 214 L HA 0.705 5.046 4.340 0.001 0.000 0.272 214 L C -1.817 174.796 176.870 -0.428 0.000 0.980 214 L CA -1.030 53.630 54.840 -0.300 0.000 0.826 214 L CB 0.722 42.674 42.059 -0.178 0.000 1.268 214 L HN 0.248 nan 8.230 nan 0.000 0.407 215 F N 2.458 122.477 119.950 0.114 0.000 2.493 215 F HA 0.735 5.263 4.527 0.001 0.000 0.329 215 F C 0.188 175.935 175.800 -0.089 0.000 1.126 215 F CA -0.492 57.550 58.000 0.071 0.000 0.937 215 F CB 2.410 41.499 39.000 0.149 0.000 1.146 215 F HN 0.384 nan 8.300 nan 0.000 0.442 216 T N 1.887 116.402 114.554 -0.064 0.000 2.887 216 T HA 0.871 5.222 4.350 0.001 0.000 0.288 216 T C -0.969 173.660 174.700 -0.119 0.000 1.021 216 T CA -0.915 60.998 62.100 -0.311 0.000 1.000 216 T CB 1.929 70.122 68.868 -1.125 0.000 1.034 216 T HN 0.741 nan 8.240 nan 0.000 0.467 217 A N 2.180 124.972 122.820 -0.046 0.000 2.429 217 A HA 0.705 5.025 4.320 0.001 0.000 0.289 217 A C -0.899 176.761 177.584 0.126 0.000 1.043 217 A CA -0.711 51.372 52.037 0.077 0.000 0.722 217 A CB 1.273 20.333 19.000 0.102 0.000 1.243 217 A HN 0.814 nan 8.150 nan 0.000 0.415 218 E N 2.018 122.346 120.200 0.214 0.000 2.224 218 E HA 0.366 4.716 4.350 0.001 0.000 0.265 218 E C -1.483 175.311 176.600 0.324 0.000 0.878 218 E CA -0.546 56.022 56.400 0.279 0.000 0.759 218 E CB 1.186 31.109 29.700 0.372 0.000 1.164 218 E HN 0.801 nan 8.360 nan 0.000 0.414 219 H N 3.637 122.861 119.070 0.256 0.000 2.511 219 H HA 0.348 4.905 4.556 0.001 0.000 0.328 219 H C -1.363 174.093 175.328 0.213 0.000 1.044 219 H CA -0.324 55.859 56.048 0.225 0.000 1.212 219 H CB 1.290 31.188 29.762 0.226 0.000 1.428 219 H HN 0.428 nan 8.280 nan 0.000 0.483 220 T N 4.872 119.254 114.554 -0.287 0.000 2.756 220 T HA 0.144 4.495 4.350 0.001 0.000 0.290 220 T C -0.046 174.437 174.700 -0.361 0.000 0.985 220 T CA -0.764 61.228 62.100 -0.179 0.000 0.955 220 T CB 1.467 70.278 68.868 -0.095 0.000 0.930 220 T HN 0.506 nan 8.240 nan 0.000 0.451 221 Q N 2.154 121.870 119.800 -0.140 0.000 2.331 221 Q HA 0.524 4.865 4.340 0.001 0.000 0.267 221 Q C -0.322 175.738 176.000 0.100 0.000 1.006 221 Q CA -0.387 55.402 55.803 -0.023 0.000 0.818 221 Q CB 1.778 30.631 28.738 0.191 0.000 1.276 221 Q HN 0.626 nan 8.270 nan 0.000 0.450 222 S N 2.688 118.435 115.700 0.077 0.000 2.528 222 S HA 0.689 5.159 4.470 0.001 0.000 0.277 222 S C -0.762 173.904 174.600 0.110 0.000 1.297 222 S CA -0.247 58.017 58.200 0.107 0.000 1.052 222 S CB 0.080 63.320 63.200 0.066 0.000 0.917 222 S HN 0.491 nan 8.310 nan 0.000 0.492 223 V N 5.141 125.131 119.914 0.126 0.000 3.242 223 V HA 0.341 4.461 4.120 0.001 0.000 0.298 223 V C -0.152 176.003 176.094 0.101 0.000 1.352 223 V CA -1.148 61.212 62.300 0.101 0.000 1.052 223 V CB 1.794 33.677 31.823 0.100 0.000 1.101 223 V HN 0.939 nan 8.190 nan 0.000 0.446 224 L N 2.051 123.322 121.223 0.079 0.000 4.290 224 L HA -0.283 4.058 4.340 0.001 0.000 0.486 224 L C 1.062 177.991 176.870 0.099 0.000 1.070 224 L CA 0.943 55.830 54.840 0.079 0.000 0.688 224 L CB -1.675 40.427 42.059 0.072 0.000 1.627 224 L HN 0.998 nan 8.230 nan 0.000 0.782 225 K N -2.463 117.996 120.400 0.097 0.000 3.088 225 K HA -0.218 4.103 4.320 0.001 0.000 0.273 225 K C 0.806 177.496 176.600 0.150 0.000 1.111 225 K CA 0.771 57.122 56.287 0.107 0.000 0.803 225 K CB -1.546 31.011 32.500 0.096 0.000 1.226 225 K HN 0.804 nan 8.250 nan 0.000 0.485 226 G N 0.036 108.940 108.800 0.174 0.000 3.039 226 G HA2 0.767 4.727 3.960 0.001 0.000 0.202 226 G HA3 0.767 4.727 3.960 0.001 0.000 0.202 226 G C -1.101 173.990 174.900 0.319 0.000 1.151 226 G CA -0.278 44.974 45.100 0.253 0.000 0.836 226 G HN 0.332 nan 8.290 nan 0.000 0.598 227 F N -1.214 118.804 119.950 0.112 0.000 2.817 227 F HA 0.751 5.279 4.527 0.001 0.000 0.317 227 F C -1.633 174.223 175.800 0.095 0.000 1.168 227 F CA -1.381 56.660 58.000 0.068 0.000 0.911 227 F CB 1.961 40.961 39.000 0.001 0.000 1.337 227 F HN 0.572 nan 8.300 nan 0.000 0.464 228 N N 1.607 120.390 118.700 0.138 0.000 2.503 228 N HA 0.270 5.011 4.740 0.001 0.000 0.287 228 N C -2.183 173.448 175.510 0.202 0.000 1.096 228 N CA -0.553 52.525 53.050 0.047 0.000 0.936 228 N CB 2.358 40.961 38.487 0.192 0.000 1.570 228 N HN 0.793 nan 8.380 nan 0.000 0.504 229 K N 2.553 123.000 120.400 0.079 0.000 2.138 229 K HA 0.411 4.732 4.320 0.001 0.000 0.263 229 K C -1.131 175.605 176.600 0.226 0.000 0.965 229 K CA -0.602 55.773 56.287 0.146 0.000 0.868 229 K CB 1.991 34.515 32.500 0.039 0.000 1.083 229 K HN 0.456 nan 8.250 nan 0.000 0.443 230 F N 2.400 122.455 119.950 0.175 0.000 2.539 230 F HA 0.341 4.869 4.527 0.001 0.000 0.328 230 F C -1.254 174.631 175.800 0.143 0.000 1.148 230 F CA -0.729 57.363 58.000 0.153 0.000 0.940 230 F CB 1.118 40.212 39.000 0.158 0.000 1.194 230 F HN 0.160 nan 8.300 nan 0.000 0.438 231 V N 5.631 125.202 119.914 -0.571 0.000 2.815 231 V HA 0.777 4.898 4.120 0.001 0.000 0.314 231 V C -0.927 174.846 176.094 -0.535 0.000 1.064 231 V CA -1.031 61.037 62.300 -0.386 0.000 0.952 231 V CB 1.822 33.472 31.823 -0.287 0.000 1.020 231 V HN 0.584 nan 8.190 nan 0.000 0.439 232 V N 2.713 122.476 119.914 -0.251 0.000 2.612 232 V HA 0.505 4.626 4.120 0.001 0.000 0.301 232 V C -0.728 175.334 176.094 -0.053 0.000 1.059 232 V CA -0.341 61.870 62.300 -0.148 0.000 0.886 232 V CB 1.821 33.620 31.823 -0.041 0.000 1.007 232 V HN 1.003 nan 8.190 nan 0.000 0.426 233 Q N 2.648 122.437 119.800 -0.017 0.000 2.423 233 Q HA 0.670 5.011 4.340 0.001 0.000 0.278 233 Q C -2.031 174.067 176.000 0.164 0.000 1.097 233 Q CA -0.836 54.985 55.803 0.029 0.000 0.809 233 Q CB 3.500 32.204 28.738 -0.057 0.000 1.391 233 Q HN 0.717 nan 8.270 nan 0.000 0.428 234 Y N 0.245 120.590 120.300 0.075 0.000 2.396 234 Y HA 0.696 5.246 4.550 0.001 0.000 0.332 234 Y C -1.773 174.224 175.900 0.161 0.000 1.034 234 Y CA -0.489 57.694 58.100 0.138 0.000 1.057 234 Y CB 1.556 40.128 38.460 0.188 0.000 1.220 234 Y HN 0.704 nan 8.280 nan 0.000 0.440 235 A N 3.109 125.678 122.820 -0.420 0.000 2.454 235 A HA 0.852 5.172 4.320 0.001 0.000 0.302 235 A C -0.878 176.538 177.584 -0.281 0.000 1.079 235 A CA -0.340 51.552 52.037 -0.241 0.000 0.731 235 A CB 1.337 20.255 19.000 -0.136 0.000 1.299 235 A HN 0.840 nan 8.150 nan 0.000 0.413 236 T N -0.714 113.820 114.554 -0.034 0.000 2.886 236 T HA 0.644 4.995 4.350 0.001 0.000 0.292 236 T C -0.135 174.633 174.700 0.114 0.000 1.012 236 T CA 0.003 62.154 62.100 0.085 0.000 0.982 236 T CB 1.320 70.337 68.868 0.248 0.000 1.018 236 T HN 0.797 nan 8.240 nan 0.000 0.451 237 D N 2.339 122.827 120.400 0.147 0.000 3.771 237 D HA -0.319 4.321 4.640 0.001 0.000 0.145 237 D C 1.812 178.162 176.300 0.083 0.000 0.892 237 D CA 2.573 56.651 54.000 0.130 0.000 1.080 237 D CB -1.596 39.271 40.800 0.112 0.000 0.498 237 D HN 0.889 nan 8.370 nan 0.000 0.499 238 S N -0.555 115.152 115.700 0.012 0.000 2.493 238 S HA -0.152 4.318 4.470 0.001 0.000 0.243 238 S C 1.645 176.221 174.600 -0.040 0.000 0.991 238 S CA 1.522 59.701 58.200 -0.035 0.000 0.957 238 S CB -0.137 63.009 63.200 -0.091 0.000 0.756 238 S HN 0.380 nan 8.310 nan 0.000 0.521 239 M N 2.143 121.721 119.600 -0.036 0.000 2.502 239 M HA 0.096 4.576 4.480 0.001 0.000 0.243 239 M C 2.159 178.461 176.300 0.002 0.000 1.130 239 M CA 1.234 56.504 55.300 -0.051 0.000 1.055 239 M CB -1.426 31.117 32.600 -0.094 0.000 1.457 239 M HN 0.704 nan 8.290 nan 0.000 0.488 240 T N -1.721 112.878 114.554 0.075 0.000 2.942 240 T HA -0.046 4.305 4.350 0.001 0.000 0.265 240 T C 2.013 176.822 174.700 0.180 0.000 1.062 240 T CA 1.430 63.596 62.100 0.110 0.000 1.139 240 T CB -0.413 68.576 68.868 0.202 0.000 0.883 240 T HN 0.396 nan 8.240 nan 0.000 0.468 241 S N 1.394 117.248 115.700 0.257 0.000 2.338 241 S HA -0.169 4.302 4.470 0.001 0.000 0.218 241 S C 2.289 176.965 174.600 0.127 0.000 1.032 241 S CA 0.943 59.308 58.200 0.275 0.000 0.999 241 S CB -0.773 62.535 63.200 0.180 0.000 0.905 241 S HN 0.553 nan 8.310 nan 0.000 0.439 242 Q N 1.729 121.562 119.800 0.056 0.000 2.020 242 Q HA 0.081 4.422 4.340 0.001 0.000 0.198 242 Q C 1.387 177.402 176.000 0.025 0.000 0.974 242 Q CA 1.156 56.971 55.803 0.020 0.000 0.829 242 Q CB -0.704 28.023 28.738 -0.018 0.000 0.894 242 Q HN 0.839 nan 8.270 nan 0.000 0.433 243 G N 1.423 110.232 108.800 0.015 0.000 2.246 243 G HA2 -0.264 3.697 3.960 0.001 0.000 0.273 243 G HA3 -0.264 3.697 3.960 0.001 0.000 0.273 243 G C 0.310 175.216 174.900 0.010 0.000 1.055 243 G CA 0.819 45.927 45.100 0.013 0.000 0.851 243 G HN 0.443 nan 8.290 nan 0.000 0.500 244 K N -1.498 118.902 120.400 0.001 0.000 2.558 244 K HA 0.430 4.751 4.320 0.001 0.000 0.215 244 K C 1.517 178.171 176.600 0.090 0.000 1.298 244 K CA 0.307 56.609 56.287 0.026 0.000 1.008 244 K CB 1.511 33.995 32.500 -0.027 0.000 1.073 244 K HN 1.210 nan 8.250 nan 0.000 0.606 245 G N 1.400 110.221 108.800 0.034 0.000 2.273 245 G HA2 -0.122 3.839 3.960 0.001 0.000 0.162 245 G HA3 -0.122 3.839 3.960 0.001 0.000 0.162 245 G C -0.204 174.677 174.900 -0.031 0.000 1.006 245 G CA -0.590 44.541 45.100 0.051 0.000 0.704 245 G HN 0.012 nan 8.290 nan 0.000 0.487 246 L N 1.697 122.885 121.223 -0.057 0.000 2.334 246 L HA 0.747 5.088 4.340 0.001 0.000 0.275 246 L C 0.627 177.430 176.870 -0.112 0.000 1.036 246 L CA -0.699 54.082 54.840 -0.097 0.000 0.807 246 L CB 1.895 43.900 42.059 -0.090 0.000 1.231 246 L HN 0.213 nan 8.230 nan 0.000 0.438 247 S N 1.972 117.583 115.700 -0.149 0.000 2.525 247 S HA 0.395 4.866 4.470 0.001 0.000 0.290 247 S C -0.530 173.997 174.600 -0.122 0.000 1.152 247 S CA -0.622 57.487 58.200 -0.153 0.000 1.072 247 S CB 1.121 64.186 63.200 -0.224 0.000 1.027 247 S HN 0.642 nan 8.310 nan 0.000 0.500 248 Q N 3.494 123.234 119.800 -0.099 0.000 2.965 248 Q HA 0.286 4.626 4.340 0.001 0.000 0.288 248 Q C 0.753 176.698 176.000 -0.091 0.000 0.974 248 Q CA -0.515 55.235 55.803 -0.088 0.000 0.849 248 Q CB 0.911 29.605 28.738 -0.073 0.000 1.280 248 Q HN 0.913 nan 8.270 nan 0.000 0.441 249 G N 0.735 109.477 108.800 -0.097 0.000 3.061 249 G HA2 -0.138 3.823 3.960 0.001 0.000 0.208 249 G HA3 -0.138 3.823 3.960 0.001 0.000 0.208 249 G C 1.221 176.078 174.900 -0.072 0.000 1.175 249 G CA 0.664 45.714 45.100 -0.085 0.000 0.812 249 G HN 0.501 nan 8.290 nan 0.000 0.523 250 S N -1.187 114.466 115.700 -0.077 0.000 2.470 250 S HA 0.323 4.794 4.470 0.001 0.000 0.222 250 S C 2.084 176.633 174.600 -0.086 0.000 1.024 250 S CA 1.143 59.304 58.200 -0.065 0.000 0.931 250 S CB -0.032 63.136 63.200 -0.054 0.000 0.791 250 S HN 1.317 nan 8.310 nan 0.000 0.513 251 G N 0.606 109.328 108.800 -0.129 0.000 2.189 251 G HA2 -0.248 3.713 3.960 0.001 0.000 0.267 251 G HA3 -0.248 3.713 3.960 0.001 0.000 0.267 251 G C 0.108 174.872 174.900 -0.226 0.000 0.975 251 G CA 0.378 45.372 45.100 -0.176 0.000 0.644 251 G HN 0.804 nan 8.290 nan 0.000 0.537 252 V N 0.610 120.382 119.914 -0.236 0.000 2.481 252 V HA 0.838 4.959 4.120 0.001 0.000 0.286 252 V C 0.693 176.465 176.094 -0.536 0.000 1.042 252 V CA 0.112 62.187 62.300 -0.376 0.000 0.928 252 V CB 1.395 33.038 31.823 -0.301 0.000 0.986 252 V HN 1.072 nan 8.190 nan 0.000 0.462 253 A N 3.708 126.023 122.820 -0.842 0.000 2.464 253 A HA 1.021 5.342 4.320 0.001 0.000 0.268 253 A C -1.472 175.434 177.584 -1.131 0.000 1.244 253 A CA -0.518 50.980 52.037 -0.899 0.000 0.871 253 A CB 1.523 19.786 19.000 -1.229 0.000 1.400 253 A HN 0.584 nan 8.150 nan 0.000 0.455 254 F N 0.171 120.000 119.950 -0.202 0.000 2.588 254 F HA 0.357 4.885 4.527 0.001 0.000 0.314 254 F C -0.564 175.432 175.800 0.326 0.000 1.134 254 F CA -0.853 57.203 58.000 0.094 0.000 0.961 254 F CB 1.888 40.911 39.000 0.039 0.000 1.239 254 F HN 0.711 nan 8.300 nan 0.000 0.448 255 D N 0.194 120.901 120.400 0.512 0.000 2.377 255 D HA 0.110 4.750 4.640 0.001 0.000 0.245 255 D C 0.406 176.867 176.300 0.270 0.000 1.196 255 D CA -0.320 53.862 54.000 0.303 0.000 0.962 255 D CB 0.509 41.248 40.800 -0.103 0.000 1.127 255 D HN 0.579 nan 8.370 nan 0.000 0.471 256 N N -0.693 118.127 118.700 0.201 0.000 2.443 256 N HA -0.125 4.616 4.740 0.001 0.000 0.184 256 N C 0.512 176.107 175.510 0.143 0.000 1.037 256 N CA 0.623 53.761 53.050 0.146 0.000 0.896 256 N CB 0.045 38.597 38.487 0.109 0.000 0.959 256 N HN 0.482 nan 8.380 nan 0.000 0.442 257 E N 0.692 121.016 120.200 0.206 0.000 2.403 257 E HA 0.039 4.390 4.350 0.001 0.000 0.188 257 E C -0.110 176.616 176.600 0.211 0.000 1.056 257 E CA 0.066 56.621 56.400 0.258 0.000 0.892 257 E CB 0.356 30.297 29.700 0.403 0.000 1.049 257 E HN 0.166 nan 8.360 nan 0.000 0.465 258 K N -0.097 120.410 120.400 0.178 0.000 3.209 258 K HA -0.178 4.143 4.320 0.001 0.000 0.289 258 K C -0.494 176.214 176.600 0.180 0.000 1.191 258 K CA 0.672 57.011 56.287 0.086 0.000 0.851 258 K CB -1.823 30.616 32.500 -0.102 0.000 1.242 258 K HN 0.112 nan 8.250 nan 0.000 0.480 259 F N 0.927 121.046 119.950 0.281 0.000 2.384 259 F HA 0.407 4.935 4.527 0.001 0.000 0.338 259 F C 1.164 177.124 175.800 0.266 0.000 1.103 259 F CA -0.362 57.835 58.000 0.328 0.000 1.157 259 F CB 0.902 40.065 39.000 0.270 0.000 1.167 259 F HN 0.040 nan 8.300 nan 0.000 0.529 260 A N 3.518 126.429 122.820 0.152 0.000 2.309 260 A HA 0.593 4.914 4.320 0.001 0.000 0.298 260 A C -1.176 176.240 177.584 -0.280 0.000 1.165 260 A CA -0.368 51.475 52.037 -0.324 0.000 0.821 260 A CB -0.055 18.663 19.000 -0.470 0.000 1.102 260 A HN 0.740 nan 8.150 nan 0.000 0.500 261 Y N 0.740 120.814 120.300 -0.376 0.000 2.659 261 Y HA 0.704 5.255 4.550 0.001 0.000 0.333 261 Y C -0.300 175.460 175.900 -0.233 0.000 1.064 261 Y CA -1.904 56.057 58.100 -0.231 0.000 1.141 261 Y CB 1.212 39.654 38.460 -0.029 0.000 1.316 261 Y HN 0.481 nan 8.280 nan 0.000 0.509 262 N N 2.027 120.734 118.700 0.011 0.000 2.558 262 N HA 0.230 4.970 4.740 0.001 0.000 0.242 262 N C -0.794 174.655 175.510 -0.103 0.000 0.979 262 N CA -0.621 52.356 53.050 -0.122 0.000 0.931 262 N CB 0.605 39.029 38.487 -0.105 0.000 1.122 262 N HN 0.857 nan 8.380 nan 0.000 0.508 263 I N 0.461 120.894 120.570 -0.227 0.000 3.555 263 I HA 0.282 4.453 4.170 0.001 0.000 0.343 263 I C 0.504 176.411 176.117 -0.351 0.000 1.426 263 I CA -0.808 60.342 61.300 -0.251 0.000 1.157 263 I CB -0.383 37.453 38.000 -0.274 0.000 1.526 263 I HN 0.252 nan 8.210 nan 0.000 0.461 264 N N 3.803 122.317 118.700 -0.311 0.000 2.357 264 N HA -0.083 4.658 4.740 0.001 0.000 0.257 264 N C 0.165 175.329 175.510 -0.576 0.000 1.250 264 N CA 0.650 53.502 53.050 -0.331 0.000 0.862 264 N CB 0.516 38.868 38.487 -0.226 0.000 1.066 264 N HN 0.796 nan 8.380 nan 0.000 0.468 265 N N 1.940 120.332 118.700 -0.513 0.000 2.282 265 N HA 0.034 4.775 4.740 0.001 0.000 0.240 265 N C -0.772 174.591 175.510 -0.244 0.000 1.182 265 N CA -0.632 51.984 53.050 -0.723 0.000 0.874 265 N CB 0.168 38.453 38.487 -0.336 0.000 1.126 265 N HN 0.345 nan 8.380 nan 0.000 0.516 266 N N 1.438 120.062 118.700 -0.127 0.000 2.458 266 N HA 0.200 4.941 4.740 0.001 0.000 0.258 266 N C 0.655 176.303 175.510 0.231 0.000 1.219 266 N CA 1.227 54.315 53.050 0.063 0.000 0.902 266 N CB 1.470 39.981 38.487 0.041 0.000 1.076 266 N HN 0.583 nan 8.380 nan 0.000 0.455 267 G N 0.494 109.467 108.800 0.288 0.000 2.373 267 G HA2 0.071 4.031 3.960 0.001 0.000 0.250 267 G HA3 0.071 4.031 3.960 0.001 0.000 0.250 267 G C -1.700 173.326 174.900 0.209 0.000 1.304 267 G CA -0.676 44.602 45.100 0.297 0.000 0.948 267 G HN 0.847 nan 8.290 nan 0.000 0.474 268 H N -1.255 117.829 119.070 0.023 0.000 2.981 268 H HA 0.744 5.300 4.556 0.001 0.000 0.327 268 H C -1.396 173.786 175.328 -0.244 0.000 1.342 268 H CA -0.702 55.265 56.048 -0.134 0.000 1.123 268 H CB 1.598 31.289 29.762 -0.118 0.000 1.851 268 H HN 1.027 nan 8.280 nan 0.000 0.531 269 M N 2.466 121.973 119.600 -0.154 0.000 2.433 269 M HA 0.498 4.979 4.480 0.001 0.000 0.290 269 M C -2.233 174.035 176.300 -0.053 0.000 1.173 269 M CA -1.047 54.161 55.300 -0.153 0.000 0.905 269 M CB 3.040 35.517 32.600 -0.204 0.000 1.692 269 M HN 0.659 nan 8.290 nan 0.000 0.462 270 L N 4.186 125.437 121.223 0.047 0.000 2.409 270 L HA 0.690 5.031 4.340 0.001 0.000 0.272 270 L C -1.626 175.254 176.870 0.017 0.000 0.980 270 L CA -0.273 54.652 54.840 0.141 0.000 0.826 270 L CB 1.921 44.151 42.059 0.284 0.000 1.268 270 L HN 0.927 nan 8.230 nan 0.000 0.407 271 R N 4.690 125.198 120.500 0.014 0.000 2.561 271 R HA 0.720 5.061 4.340 0.001 0.000 0.297 271 R C -1.751 174.504 176.300 -0.074 0.000 0.969 271 R CA -0.662 55.401 56.100 -0.062 0.000 0.879 271 R CB 1.604 31.870 30.300 -0.057 0.000 1.178 271 R HN 0.754 nan 8.270 nan 0.000 0.445 272 I N 4.897 125.409 120.570 -0.097 0.000 2.447 272 I HA 0.382 4.552 4.170 0.001 0.000 0.287 272 I C -0.915 175.082 176.117 -0.200 0.000 1.023 272 I CA -0.305 60.907 61.300 -0.146 0.000 1.083 272 I CB 1.868 39.859 38.000 -0.016 0.000 1.245 272 I HN 0.419 nan 8.210 nan 0.000 0.434 273 L N 5.518 126.543 121.223 -0.329 0.000 2.401 273 L HA 0.623 4.964 4.340 0.001 0.000 0.266 273 L C -1.748 175.015 176.870 -0.177 0.000 0.991 273 L CA -0.485 54.207 54.840 -0.246 0.000 0.818 273 L CB 2.363 44.219 42.059 -0.337 0.000 1.321 273 L HN 0.575 nan 8.230 nan 0.000 0.413 274 D N 2.310 122.747 120.400 0.063 0.000 2.891 274 D HA 0.416 5.056 4.640 0.001 0.000 0.224 274 D C -1.333 175.139 176.300 0.286 0.000 1.321 274 D CA -0.262 53.876 54.000 0.230 0.000 0.929 274 D CB 1.028 42.056 40.800 0.381 0.000 1.551 274 D HN 0.586 nan 8.370 nan 0.000 0.574 275 H N 1.448 120.551 119.070 0.055 0.000 3.008 275 H HA 0.880 5.436 4.556 0.001 0.000 0.354 275 H C -0.748 174.304 175.328 -0.460 0.000 1.252 275 H CA -0.977 54.955 56.048 -0.194 0.000 1.117 275 H CB 1.635 31.350 29.762 -0.079 0.000 1.857 275 H HN 0.589 nan 8.280 nan 0.000 0.547 276 G N -0.762 107.366 108.800 -1.121 0.000 2.342 276 G HA2 0.591 4.552 3.960 0.001 0.000 0.297 276 G HA3 0.591 4.552 3.960 0.001 0.000 0.297 276 G C -2.040 172.323 174.900 -0.895 0.000 1.313 276 G CA -0.255 44.147 45.100 -1.164 0.000 0.830 276 G HN 0.928 nan 8.290 nan 0.000 0.506 277 A N -0.126 122.343 122.820 -0.585 0.000 2.408 277 A HA 0.833 5.153 4.320 0.001 0.000 0.295 277 A C -0.544 177.089 177.584 0.081 0.000 1.040 277 A CA -0.414 51.585 52.037 -0.062 0.000 0.707 277 A CB 0.860 20.015 19.000 0.258 0.000 1.235 277 A HN 1.913 nan 8.150 nan 0.000 0.418 278 I N -1.190 119.482 120.570 0.171 0.000 2.865 278 I HA 0.805 4.976 4.170 0.001 0.000 0.302 278 I C -0.646 175.561 176.117 0.151 0.000 1.140 278 I CA -0.666 60.730 61.300 0.159 0.000 1.021 278 I CB 2.494 40.579 38.000 0.141 0.000 1.233 278 I HN 0.316 nan 8.210 nan 0.000 0.427 279 S N 5.471 121.254 115.700 0.139 0.000 2.454 279 S HA 0.610 5.081 4.470 0.001 0.000 0.306 279 S C -0.350 174.317 174.600 0.112 0.000 1.100 279 S CA -0.680 57.601 58.200 0.135 0.000 1.087 279 S CB 1.465 64.741 63.200 0.128 0.000 1.019 279 S HN 0.603 nan 8.310 nan 0.000 0.480 280 M N 3.610 123.287 119.600 0.127 0.000 2.325 280 M HA 0.442 4.923 4.480 0.001 0.000 0.305 280 M C 0.603 176.980 176.300 0.128 0.000 1.047 280 M CA -0.094 55.260 55.300 0.090 0.000 0.981 280 M CB 0.463 33.078 32.600 0.026 0.000 1.307 280 M HN 1.028 nan 8.290 nan 0.000 0.418 281 G N 1.156 110.017 108.800 0.102 0.000 2.512 281 G HA2 -0.178 3.783 3.960 0.001 0.000 0.210 281 G HA3 -0.178 3.783 3.960 0.001 0.000 0.210 281 G C -0.285 174.666 174.900 0.085 0.000 1.295 281 G CA -0.417 44.743 45.100 0.100 0.000 0.934 281 G HN 0.540 nan 8.290 nan 0.000 0.554 282 D N 0.388 120.823 120.400 0.058 0.000 2.355 282 D HA 0.049 4.690 4.640 0.001 0.000 0.206 282 D C 1.737 177.994 176.300 -0.071 0.000 1.010 282 D CA 0.481 54.483 54.000 0.003 0.000 0.875 282 D CB 0.069 40.862 40.800 -0.012 0.000 0.966 282 D HN 0.319 nan 8.370 nan 0.000 0.512 283 N N -0.448 118.194 118.700 -0.098 0.000 2.236 283 N HA 0.026 4.767 4.740 0.001 0.000 0.196 283 N C -0.382 174.784 175.510 -0.574 0.000 1.114 283 N CA 0.112 52.914 53.050 -0.412 0.000 0.859 283 N CB 0.765 38.961 38.487 -0.484 0.000 0.982 283 N HN 0.170 nan 8.380 nan 0.000 0.493 284 W N 0.500 121.743 121.300 -0.096 0.000 2.915 284 W HA 0.410 5.070 4.660 0.001 0.000 0.337 284 W C -0.851 175.660 176.519 -0.013 0.000 1.102 284 W CA -0.571 56.756 57.345 -0.030 0.000 1.224 284 W CB 1.542 31.020 29.460 0.030 0.000 1.416 284 W HN -0.269 nan 8.180 nan 0.000 0.503 285 D N 2.449 123.030 120.400 0.302 0.000 2.732 285 D HA 0.630 5.271 4.640 0.001 0.000 0.229 285 D C -1.192 175.226 176.300 0.198 0.000 1.152 285 D CA -0.596 53.515 54.000 0.186 0.000 0.854 285 D CB 2.132 42.988 40.800 0.094 0.000 1.590 285 D HN 0.384 nan 8.370 nan 0.000 0.468 286 M N 2.487 122.178 119.600 0.152 0.000 2.325 286 M HA 0.396 4.876 4.480 0.001 0.000 0.285 286 M C -1.906 174.482 176.300 0.146 0.000 1.119 286 M CA -0.453 54.937 55.300 0.149 0.000 0.959 286 M CB 1.684 34.376 32.600 0.153 0.000 1.737 286 M HN 0.299 nan 8.290 nan 0.000 0.486 287 M N 4.541 124.200 119.600 0.099 0.000 2.537 287 M HA 0.606 5.087 4.480 0.001 0.000 0.324 287 M C -1.413 174.983 176.300 0.159 0.000 1.187 287 M CA -0.759 54.560 55.300 0.032 0.000 0.993 287 M CB 1.793 34.360 32.600 -0.054 0.000 1.666 287 M HN 0.690 nan 8.290 nan 0.000 0.461 288 Y N -0.917 119.435 120.300 0.087 0.000 2.581 288 Y HA 0.836 5.387 4.550 0.001 0.000 0.337 288 Y C -1.864 174.135 175.900 0.165 0.000 1.108 288 Y CA -1.321 56.846 58.100 0.111 0.000 1.033 288 Y CB 1.143 39.644 38.460 0.068 0.000 1.318 288 Y HN 0.493 nan 8.280 nan 0.000 0.459 289 V N 1.466 121.545 119.914 0.276 0.000 2.932 289 V HA 0.974 5.094 4.120 0.001 0.000 0.307 289 V C -0.903 175.335 176.094 0.240 0.000 1.147 289 V CA -0.076 62.356 62.300 0.221 0.000 0.951 289 V CB 2.080 33.986 31.823 0.139 0.000 1.031 289 V HN 1.478 nan 8.190 nan 0.000 0.426 290 G N 5.272 114.187 108.800 0.191 0.000 2.732 290 G HA2 0.712 4.673 3.960 0.001 0.000 0.295 290 G HA3 0.712 4.673 3.960 0.001 0.000 0.295 290 G C -1.415 173.518 174.900 0.054 0.000 1.456 290 G CA -0.484 44.717 45.100 0.167 0.000 1.050 290 G HN 0.972 nan 8.290 nan 0.000 0.525 291 M N 2.289 121.872 119.600 -0.029 0.000 2.470 291 M HA 0.669 5.150 4.480 0.001 0.000 0.285 291 M C -2.454 173.663 176.300 -0.306 0.000 1.213 291 M CA -1.060 54.115 55.300 -0.208 0.000 0.901 291 M CB 2.889 35.232 32.600 -0.429 0.000 1.718 291 M HN 0.596 nan 8.290 nan 0.000 0.469 292 Y N 2.789 122.777 120.300 -0.520 0.000 2.354 292 Y HA 0.531 5.082 4.550 0.001 0.000 0.330 292 Y C -1.709 173.898 175.900 -0.488 0.000 1.011 292 Y CA -0.281 57.346 58.100 -0.788 0.000 1.099 292 Y CB 1.555 39.389 38.460 -1.043 0.000 1.179 292 Y HN 0.725 nan 8.280 nan 0.000 0.442 293 Q N 5.093 124.282 119.800 -1.019 0.000 2.321 293 Q HA 0.339 4.680 4.340 0.001 0.000 0.270 293 Q C -2.125 173.464 176.000 -0.685 0.000 1.032 293 Q CA -0.782 54.647 55.803 -0.624 0.000 0.784 293 Q CB 1.603 30.209 28.738 -0.221 0.000 1.264 293 Q HN 0.788 nan 8.270 nan 0.000 0.448 294 D N 4.627 124.704 120.400 -0.538 0.000 2.471 294 D HA 0.364 5.005 4.640 0.001 0.000 0.245 294 D C -1.110 175.007 176.300 -0.304 0.000 1.116 294 D CA -0.332 53.439 54.000 -0.381 0.000 0.853 294 D CB 0.893 41.542 40.800 -0.253 0.000 1.123 294 D HN 0.522 nan 8.370 nan 0.000 0.540 295 I N 3.676 124.017 120.570 -0.381 0.000 2.330 295 I HA 0.321 4.492 4.170 0.001 0.000 0.289 295 I C -0.247 175.493 176.117 -0.629 0.000 1.001 295 I CA -0.778 60.161 61.300 -0.601 0.000 1.193 295 I CB 1.364 38.888 38.000 -0.794 0.000 1.345 295 I HN 0.370 nan 8.210 nan 0.000 0.461 296 N N 6.660 124.956 118.700 -0.673 0.000 2.479 296 N HA 0.347 5.088 4.740 0.001 0.000 0.261 296 N C -1.332 173.963 175.510 -0.358 0.000 0.979 296 N CA -0.576 52.194 53.050 -0.466 0.000 0.930 296 N CB 1.297 39.488 38.487 -0.492 0.000 1.172 296 N HN 0.368 nan 8.380 nan 0.000 0.499 297 W N 1.679 122.893 121.300 -0.143 0.000 2.647 297 W HA 0.301 4.962 4.660 0.001 0.000 0.353 297 W C 0.703 177.185 176.519 -0.061 0.000 1.080 297 W CA -0.609 56.678 57.345 -0.096 0.000 1.208 297 W CB 1.196 30.614 29.460 -0.070 0.000 1.396 297 W HN 0.531 nan 8.180 nan 0.000 0.573 298 D N 0.625 121.168 120.400 0.238 0.000 2.263 298 D HA -0.175 4.466 4.640 0.001 0.000 0.208 298 D C 1.292 177.636 176.300 0.073 0.000 0.971 298 D CA 1.421 55.490 54.000 0.114 0.000 0.867 298 D CB -0.171 40.674 40.800 0.075 0.000 0.929 298 D HN 0.314 nan 8.370 nan 0.000 0.492 299 N N -0.064 118.679 118.700 0.071 0.000 2.322 299 N HA -0.034 4.707 4.740 0.001 0.000 0.216 299 N C -0.363 175.172 175.510 0.041 0.000 1.144 299 N CA 0.052 53.115 53.050 0.022 0.000 0.830 299 N CB 0.277 38.736 38.487 -0.046 0.000 1.034 299 N HN -0.206 nan 8.380 nan 0.000 0.484 300 D N -1.464 118.979 120.400 0.072 0.000 3.070 300 D HA -0.214 4.427 4.640 0.001 0.000 0.220 300 D C -0.053 176.258 176.300 0.018 0.000 1.176 300 D CA 1.012 55.029 54.000 0.028 0.000 0.924 300 D CB -1.321 39.467 40.800 -0.020 0.000 1.124 300 D HN 0.422 nan 8.370 nan 0.000 0.411 301 N N -0.342 118.432 118.700 0.123 0.000 2.251 301 N HA 0.251 4.992 4.740 0.001 0.000 0.217 301 N C 0.886 176.535 175.510 0.232 0.000 1.124 301 N CA 0.654 53.777 53.050 0.121 0.000 0.843 301 N CB 0.093 38.656 38.487 0.126 0.000 1.024 301 N HN 0.313 nan 8.380 nan 0.000 0.501 302 G N -0.775 108.109 108.800 0.141 0.000 2.479 302 G HA2 0.354 4.314 3.960 0.001 0.000 0.275 302 G HA3 0.354 4.314 3.960 0.001 0.000 0.275 302 G C -0.405 174.410 174.900 -0.142 0.000 1.421 302 G CA 0.197 45.215 45.100 -0.137 0.000 1.059 302 G HN 0.300 nan 8.290 nan 0.000 0.535 303 T N -2.760 111.680 114.554 -0.191 0.000 2.853 303 T HA 0.590 4.941 4.350 0.001 0.000 0.311 303 T C -1.086 173.559 174.700 -0.092 0.000 1.307 303 T CA -0.902 61.146 62.100 -0.087 0.000 1.019 303 T CB 2.286 71.162 68.868 0.014 0.000 1.264 303 T HN 0.484 nan 8.240 nan 0.000 0.497 304 K N 0.836 121.236 120.400 0.000 0.000 2.535 304 K HA 0.465 4.786 4.320 0.001 0.000 0.253 304 K C -1.822 174.838 176.600 0.099 0.000 0.953 304 K CA -0.660 55.611 56.287 -0.027 0.000 0.863 304 K CB 1.262 33.813 32.500 0.085 0.000 1.111 304 K HN 0.632 nan 8.250 nan 0.000 0.431 305 W N 5.187 126.301 121.300 -0.311 0.000 2.606 305 W HA 0.469 5.130 4.660 0.001 0.000 0.332 305 W C -1.773 174.536 176.519 -0.350 0.000 1.052 305 W CA -1.254 55.971 57.345 -0.200 0.000 1.223 305 W CB 0.814 30.154 29.460 -0.201 0.000 1.383 305 W HN 0.514 nan 8.180 nan 0.000 0.524 306 W N 4.348 125.683 121.300 0.057 0.000 2.839 306 W HA 0.521 5.181 4.660 0.001 0.000 0.334 306 W C -0.497 175.927 176.519 -0.159 0.000 1.064 306 W CA -0.443 56.881 57.345 -0.035 0.000 1.236 306 W CB 2.202 31.778 29.460 0.194 0.000 1.405 306 W HN 0.283 nan 8.180 nan 0.000 0.478 307 T N 0.460 115.031 114.554 0.028 0.000 2.900 307 T HA 0.804 5.154 4.350 0.001 0.000 0.303 307 T C -0.812 174.030 174.700 0.237 0.000 1.142 307 T CA -0.987 61.177 62.100 0.106 0.000 1.007 307 T CB 1.542 70.340 68.868 -0.117 0.000 1.156 307 T HN 0.683 nan 8.240 nan 0.000 0.490 308 V N -2.266 117.846 119.914 0.331 0.000 3.077 308 V HA 1.036 5.156 4.120 0.001 0.000 0.299 308 V C -0.393 175.804 176.094 0.172 0.000 1.276 308 V CA -0.335 62.124 62.300 0.266 0.000 0.993 308 V CB 1.376 33.328 31.823 0.216 0.000 1.076 308 V HN 1.627 nan 8.190 nan 0.000 0.434 309 G N 2.271 111.152 108.800 0.136 0.000 2.523 309 G HA2 0.812 4.773 3.960 0.001 0.000 0.291 309 G HA3 0.812 4.773 3.960 0.001 0.000 0.291 309 G C -1.558 173.407 174.900 0.108 0.000 1.450 309 G CA -0.109 44.954 45.100 -0.060 0.000 0.790 309 G HN 2.043 nan 8.290 nan 0.000 0.496 310 I N -2.519 118.094 120.570 0.072 0.000 2.827 310 I HA 0.873 5.044 4.170 0.001 0.000 0.298 310 I C -1.065 175.126 176.117 0.124 0.000 1.235 310 I CA -1.419 59.962 61.300 0.136 0.000 1.021 310 I CB 2.758 40.820 38.000 0.103 0.000 1.259 310 I HN 0.555 nan 8.210 nan 0.000 0.427 311 R N 5.302 125.888 120.500 0.143 0.000 2.487 311 R HA 0.533 4.874 4.340 0.001 0.000 0.288 311 R C -2.921 173.460 176.300 0.135 0.000 1.394 311 R CA -1.402 54.778 56.100 0.132 0.000 1.155 311 R CB 1.636 32.009 30.300 0.122 0.000 1.156 311 R HN 0.483 nan 8.270 nan 0.000 0.553 312 P HA 0.224 nan 4.420 nan 0.000 0.294 312 P C -1.167 176.297 177.300 0.274 0.000 1.294 312 P CA -0.571 62.668 63.100 0.232 0.000 0.827 312 P CB 1.768 33.598 31.700 0.217 0.000 0.992 313 M N 4.850 124.611 119.600 0.268 0.000 2.311 313 M HA 0.399 4.880 4.480 0.001 0.000 0.325 313 M C -1.936 174.374 176.300 0.017 0.000 1.061 313 M CA -1.062 54.315 55.300 0.129 0.000 0.957 313 M CB 1.845 34.471 32.600 0.043 0.000 1.646 313 M HN 0.332 nan 8.290 nan 0.000 0.434 314 Y N 5.119 125.178 120.300 -0.403 0.000 2.341 314 Y HA 0.455 5.005 4.550 0.001 0.000 0.338 314 Y C -1.056 174.388 175.900 -0.760 0.000 0.965 314 Y CA -0.721 56.774 58.100 -1.007 0.000 1.108 314 Y CB 1.175 38.744 38.460 -1.485 0.000 1.180 314 Y HN 0.550 nan 8.280 nan 0.000 0.458 315 K N 5.415 124.998 120.400 -1.361 0.000 2.299 315 K HA 0.137 4.458 4.320 0.001 0.000 0.268 315 K C -0.370 175.695 176.600 -0.892 0.000 1.075 315 K CA -0.505 55.258 56.287 -0.873 0.000 0.936 315 K CB 0.574 32.793 32.500 -0.468 0.000 1.228 315 K HN 0.805 nan 8.250 nan 0.000 0.454 316 W N 2.111 123.145 121.300 -0.444 0.000 2.374 316 W HA -0.084 4.576 4.660 0.001 0.000 0.288 316 W C 0.598 177.004 176.519 -0.189 0.000 1.218 316 W CA 0.462 57.660 57.345 -0.245 0.000 1.245 316 W CB 0.242 29.629 29.460 -0.121 0.000 1.126 316 W HN 0.389 nan 8.180 nan 0.000 0.545 317 T N -1.064 113.521 114.554 0.052 0.000 2.816 317 T HA 0.151 4.502 4.350 0.001 0.000 0.299 317 T C -2.118 172.566 174.700 -0.026 0.000 1.230 317 T CA -0.990 61.123 62.100 0.020 0.000 1.007 317 T CB 1.846 70.746 68.868 0.053 0.000 1.289 317 T HN -0.443 nan 8.240 nan 0.000 0.508 318 P HA 0.160 nan 4.420 nan 0.000 0.242 318 P C 0.741 178.045 177.300 0.006 0.000 1.197 318 P CA 0.711 63.804 63.100 -0.013 0.000 0.765 318 P CB -0.246 31.455 31.700 0.003 0.000 0.936 319 I N -6.714 113.868 120.570 0.020 0.000 4.390 319 I HA 0.424 4.595 4.170 0.001 0.000 0.334 319 I C 0.132 176.244 176.117 -0.007 0.000 1.379 319 I CA -0.312 61.016 61.300 0.047 0.000 1.197 319 I CB 0.340 38.408 38.000 0.113 0.000 1.396 319 I HN -0.253 nan 8.210 nan 0.000 0.511 320 M N 2.701 122.257 119.600 -0.073 0.000 2.327 320 M HA 0.633 5.114 4.480 0.001 0.000 0.298 320 M C -1.093 175.172 176.300 -0.058 0.000 1.065 320 M CA -0.206 54.949 55.300 -0.242 0.000 0.916 320 M CB 2.128 34.556 32.600 -0.287 0.000 1.630 320 M HN 0.386 nan 8.290 nan 0.000 0.442 321 S N 1.929 117.578 115.700 -0.086 0.000 2.705 321 S HA 0.738 5.209 4.470 0.001 0.000 0.280 321 S C -1.021 173.653 174.600 0.124 0.000 1.174 321 S CA -0.758 57.482 58.200 0.067 0.000 0.823 321 S CB 2.301 65.462 63.200 -0.065 0.000 1.162 321 S HN 0.594 nan 8.310 nan 0.000 0.487 322 T N 1.276 115.938 114.554 0.179 0.000 2.847 322 T HA 0.630 4.981 4.350 0.001 0.000 0.291 322 T C -0.899 173.880 174.700 0.132 0.000 0.998 322 T CA -0.418 61.806 62.100 0.208 0.000 0.967 322 T CB 1.124 70.223 68.868 0.386 0.000 0.954 322 T HN 0.603 nan 8.240 nan 0.000 0.441 323 V N 4.773 124.764 119.914 0.128 0.000 2.630 323 V HA 0.718 4.839 4.120 0.001 0.000 0.305 323 V C -0.078 176.112 176.094 0.160 0.000 1.046 323 V CA -0.932 61.446 62.300 0.130 0.000 0.934 323 V CB 1.843 33.734 31.823 0.113 0.000 1.003 323 V HN 0.909 nan 8.190 nan 0.000 0.451 324 M N 3.274 122.973 119.600 0.165 0.000 2.433 324 M HA 0.659 5.140 4.480 0.001 0.000 0.290 324 M C -1.479 174.914 176.300 0.155 0.000 1.173 324 M CA -0.336 55.065 55.300 0.168 0.000 0.905 324 M CB 2.537 35.236 32.600 0.165 0.000 1.692 324 M HN 0.854 nan 8.290 nan 0.000 0.462 325 E N 4.235 124.529 120.200 0.157 0.000 2.272 325 E HA 0.649 5.000 4.350 0.001 0.000 0.269 325 E C -2.049 174.618 176.600 0.110 0.000 0.877 325 E CA -0.632 55.851 56.400 0.138 0.000 0.755 325 E CB 2.139 31.940 29.700 0.169 0.000 1.192 325 E HN 0.796 nan 8.360 nan 0.000 0.422 326 I N 3.100 123.692 120.570 0.036 0.000 2.499 326 I HA 0.565 4.736 4.170 0.001 0.000 0.288 326 I C -0.050 175.954 176.117 -0.189 0.000 1.048 326 I CA -0.579 60.719 61.300 -0.003 0.000 1.062 326 I CB 2.215 40.221 38.000 0.010 0.000 1.238 326 I HN 0.578 nan 8.210 nan 0.000 0.426 327 G N 4.240 112.887 108.800 -0.255 0.000 2.612 327 G HA2 0.645 4.606 3.960 0.001 0.000 0.298 327 G HA3 0.645 4.606 3.960 0.001 0.000 0.298 327 G C -2.394 172.484 174.900 -0.036 0.000 1.336 327 G CA -0.496 44.183 45.100 -0.701 0.000 0.953 327 G HN 0.389 nan 8.290 nan 0.000 0.482 328 Y N 0.711 120.977 120.300 -0.057 0.000 2.470 328 Y HA 0.546 5.096 4.550 0.001 0.000 0.341 328 Y C -1.178 174.912 175.900 0.317 0.000 1.021 328 Y CA -0.948 57.267 58.100 0.192 0.000 1.025 328 Y CB 2.150 40.693 38.460 0.138 0.000 1.266 328 Y HN 0.496 nan 8.280 nan 0.000 0.448 329 D N 4.170 124.347 120.400 -0.373 0.000 2.527 329 D HA 0.287 4.928 4.640 0.001 0.000 0.233 329 D C -1.521 174.518 176.300 -0.436 0.000 1.063 329 D CA -0.656 53.264 54.000 -0.133 0.000 0.880 329 D CB 2.375 43.284 40.800 0.182 0.000 1.457 329 D HN 0.559 nan 8.370 nan 0.000 0.475 330 N N 1.132 119.862 118.700 0.050 0.000 2.542 330 N HA 0.219 4.960 4.740 0.001 0.000 0.288 330 N C -2.003 173.739 175.510 0.388 0.000 1.115 330 N CA -0.266 52.874 53.050 0.151 0.000 0.924 330 N CB 1.766 40.383 38.487 0.215 0.000 1.526 330 N HN 0.069 nan 8.380 nan 0.000 0.515 331 V N 2.157 122.248 119.914 0.296 0.000 2.540 331 V HA 0.492 4.613 4.120 0.001 0.000 0.302 331 V C 0.010 176.365 176.094 0.435 0.000 1.035 331 V CA -0.821 61.681 62.300 0.336 0.000 0.873 331 V CB 1.840 33.769 31.823 0.177 0.000 0.992 331 V HN 0.620 nan 8.190 nan 0.000 0.428 332 E N 2.362 122.778 120.200 0.359 0.000 2.158 332 E HA 0.431 4.782 4.350 0.001 0.000 0.271 332 E C -0.567 176.030 176.600 -0.006 0.000 0.911 332 E CA -0.381 56.163 56.400 0.239 0.000 0.767 332 E CB 1.792 31.601 29.700 0.181 0.000 1.120 332 E HN 0.684 nan 8.360 nan 0.000 0.405 333 S N 3.184 118.611 115.700 -0.454 0.000 2.510 333 S HA -0.049 4.422 4.470 0.001 0.000 0.279 333 S C 0.990 175.322 174.600 -0.448 0.000 1.284 333 S CA 0.062 57.743 58.200 -0.865 0.000 1.059 333 S CB 1.217 63.433 63.200 -1.641 0.000 0.901 333 S HN 0.751 nan 8.310 nan 0.000 0.491 334 Q N 4.446 124.053 119.800 -0.321 0.000 2.050 334 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 334 Q C 2.187 178.061 176.000 -0.210 0.000 0.980 334 Q CA 1.632 57.320 55.803 -0.192 0.000 0.840 334 Q CB -0.150 28.512 28.738 -0.128 0.000 0.898 334 Q HN 0.843 nan 8.270 nan 0.000 0.424 335 R N -0.439 119.898 120.500 -0.272 0.000 2.091 335 R HA -0.129 4.212 4.340 0.001 0.000 0.238 335 R C 2.046 178.193 176.300 -0.254 0.000 1.136 335 R CA 2.041 57.994 56.100 -0.245 0.000 0.959 335 R CB -0.205 29.927 30.300 -0.280 0.000 0.856 335 R HN 0.454 nan 8.270 nan 0.000 0.437 336 T N -4.497 109.846 114.554 -0.352 0.000 3.010 336 T HA 0.249 4.599 4.350 0.001 0.000 0.257 336 T C 1.226 175.803 174.700 -0.205 0.000 1.020 336 T CA 0.501 62.438 62.100 -0.272 0.000 0.938 336 T CB 0.885 69.572 68.868 -0.302 0.000 1.049 336 T HN 0.425 nan 8.240 nan 0.000 0.522 337 G N 1.280 109.949 108.800 -0.218 0.000 2.220 337 G HA2 -0.256 3.705 3.960 0.001 0.000 0.269 337 G HA3 -0.256 3.705 3.960 0.001 0.000 0.269 337 G C -0.221 174.631 174.900 -0.080 0.000 0.977 337 G CA 0.366 45.397 45.100 -0.116 0.000 0.634 337 G HN 0.657 nan 8.290 nan 0.000 0.539 338 D N 0.337 120.656 120.400 -0.136 0.000 2.357 338 D HA 0.561 5.201 4.640 0.001 0.000 0.242 338 D C 0.626 177.028 176.300 0.170 0.000 1.153 338 D CA 0.455 54.468 54.000 0.021 0.000 0.918 338 D CB 0.546 41.392 40.800 0.077 0.000 1.181 338 D HN 0.282 nan 8.370 nan 0.000 0.435 339 K N 1.367 121.947 120.400 0.300 0.000 2.397 339 K HA 0.398 4.719 4.320 0.001 0.000 0.253 339 K C -1.034 175.755 176.600 0.315 0.000 0.932 339 K CA -0.917 55.586 56.287 0.361 0.000 0.795 339 K CB 1.452 34.096 32.500 0.240 0.000 1.159 339 K HN 0.297 nan 8.250 nan 0.000 0.424 340 N N 2.943 121.795 118.700 0.254 0.000 2.443 340 N HA 0.324 5.065 4.740 0.001 0.000 0.295 340 N C -1.059 174.484 175.510 0.055 0.000 1.076 340 N CA -0.458 52.598 53.050 0.009 0.000 0.919 340 N CB 1.193 39.475 38.487 -0.342 0.000 1.176 340 N HN 0.770 nan 8.380 nan 0.000 0.487 341 N N -0.050 118.683 118.700 0.054 0.000 2.927 341 N HA 0.349 5.090 4.740 0.001 0.000 0.248 341 N C -1.669 173.879 175.510 0.063 0.000 1.443 341 N CA -0.623 52.443 53.050 0.028 0.000 0.870 341 N CB 2.780 41.310 38.487 0.072 0.000 1.444 341 N HN 0.479 nan 8.380 nan 0.000 0.519 342 Q N -0.055 119.748 119.800 0.005 0.000 2.702 342 Q HA 0.289 4.630 4.340 0.001 0.000 0.289 342 Q C -2.237 173.878 176.000 0.192 0.000 0.923 342 Q CA -0.737 55.120 55.803 0.091 0.000 0.787 342 Q CB 1.926 30.733 28.738 0.114 0.000 1.476 342 Q HN 0.709 nan 8.270 nan 0.000 0.402 343 Y N -0.380 120.060 120.300 0.234 0.000 2.513 343 Y HA 0.718 5.268 4.550 0.001 0.000 0.340 343 Y C -1.873 174.150 175.900 0.205 0.000 1.055 343 Y CA -0.954 57.308 58.100 0.270 0.000 1.020 343 Y CB 1.616 40.307 38.460 0.385 0.000 1.301 343 Y HN 0.618 nan 8.280 nan 0.000 0.453 344 K N 4.059 124.725 120.400 0.444 0.000 2.318 344 K HA 0.790 5.111 4.320 0.001 0.000 0.249 344 K C -1.887 174.931 176.600 0.364 0.000 0.942 344 K CA -0.903 55.601 56.287 0.362 0.000 0.808 344 K CB 1.686 34.379 32.500 0.321 0.000 1.189 344 K HN 0.930 nan 8.250 nan 0.000 0.428 345 I N 2.527 123.333 120.570 0.393 0.000 2.500 345 I HA 0.217 4.388 4.170 0.001 0.000 0.286 345 I C -0.884 175.436 176.117 0.337 0.000 1.063 345 I CA -0.580 60.915 61.300 0.326 0.000 1.062 345 I CB 2.372 40.575 38.000 0.339 0.000 1.223 345 I HN 0.514 nan 8.210 nan 0.000 0.435 346 T N 6.594 121.319 114.554 0.286 0.000 2.863 346 T HA 0.543 4.893 4.350 0.001 0.000 0.285 346 T C -0.983 173.880 174.700 0.272 0.000 1.009 346 T CA -0.556 61.736 62.100 0.320 0.000 0.989 346 T CB 2.106 71.156 68.868 0.303 0.000 1.004 346 T HN 0.225 nan 8.240 nan 0.000 0.455 347 L N 2.768 124.170 121.223 0.298 0.000 2.376 347 L HA 0.836 5.176 4.340 0.001 0.000 0.275 347 L C -1.004 176.038 176.870 0.287 0.000 0.987 347 L CA -0.506 54.480 54.840 0.244 0.000 0.828 347 L CB 0.997 43.173 42.059 0.195 0.000 1.249 347 L HN 0.887 nan 8.230 nan 0.000 0.409 348 A N 4.185 127.157 122.820 0.253 0.000 2.498 348 A HA 0.696 5.017 4.320 0.001 0.000 0.298 348 A C -1.313 176.382 177.584 0.185 0.000 1.075 348 A CA -0.555 51.647 52.037 0.274 0.000 0.714 348 A CB 2.036 21.220 19.000 0.306 0.000 1.299 348 A HN 0.574 nan 8.150 nan 0.000 0.407 349 Q N 1.142 121.039 119.800 0.162 0.000 2.368 349 Q HA 0.464 4.805 4.340 0.001 0.000 0.263 349 Q C -0.375 175.606 176.000 -0.032 0.000 1.009 349 Q CA -0.234 55.574 55.803 0.007 0.000 0.818 349 Q CB 0.989 29.706 28.738 -0.036 0.000 1.239 349 Q HN 0.796 nan 8.270 nan 0.000 0.464 350 Q N 2.492 122.229 119.800 -0.105 0.000 2.306 350 Q HA 0.524 4.865 4.340 0.001 0.000 0.269 350 Q C -1.038 174.855 176.000 -0.178 0.000 1.053 350 Q CA -0.769 55.048 55.803 0.022 0.000 0.879 350 Q CB 1.603 30.412 28.738 0.117 0.000 1.344 350 Q HN 0.606 nan 8.270 nan 0.000 0.464 351 W N 2.016 123.353 121.300 0.061 0.000 2.521 351 W HA 0.266 4.927 4.660 0.001 0.000 0.310 351 W C -1.167 175.366 176.519 0.023 0.000 1.000 351 W CA -0.363 57.007 57.345 0.042 0.000 1.353 351 W CB 2.093 31.574 29.460 0.034 0.000 1.276 351 W HN 0.786 nan 8.180 nan 0.000 0.417 352 Q N 1.195 121.095 119.800 0.166 0.000 2.286 352 Q HA 0.732 5.073 4.340 0.001 0.000 0.250 352 Q C -0.065 175.985 176.000 0.084 0.000 1.021 352 Q CA -0.792 55.069 55.803 0.097 0.000 0.930 352 Q CB 1.234 29.996 28.738 0.040 0.000 1.266 352 Q HN 0.353 nan 8.270 nan 0.000 0.491 353 A N 0.171 123.019 122.820 0.046 0.000 3.173 353 A HA 0.724 5.045 4.320 0.001 0.000 0.304 353 A C -0.045 177.563 177.584 0.040 0.000 1.318 353 A CA 0.363 52.426 52.037 0.044 0.000 1.069 353 A CB -0.884 18.133 19.000 0.028 0.000 1.147 353 A HN 0.731 nan 8.150 nan 0.000 0.547 354 G N 0.084 108.910 108.800 0.044 0.000 2.325 354 G HA2 0.379 4.340 3.960 0.001 0.000 0.297 354 G HA3 0.379 4.340 3.960 0.001 0.000 0.297 354 G C -0.811 174.111 174.900 0.036 0.000 1.448 354 G CA 0.015 45.143 45.100 0.046 0.000 0.838 354 G HN 0.281 nan 8.290 nan 0.000 0.579 355 D N -0.820 119.602 120.400 0.037 0.000 2.463 355 D HA 0.313 4.954 4.640 0.001 0.000 0.224 355 D C 0.460 176.777 176.300 0.028 0.000 1.174 355 D CA -0.061 53.947 54.000 0.013 0.000 0.829 355 D CB 0.956 41.759 40.800 0.005 0.000 0.993 355 D HN 0.317 nan 8.370 nan 0.000 0.497 356 S N 0.089 115.825 115.700 0.060 0.000 2.568 356 S HA 0.421 4.892 4.470 0.001 0.000 0.302 356 S C 0.800 175.437 174.600 0.063 0.000 1.082 356 S CA -0.791 57.469 58.200 0.100 0.000 1.009 356 S CB 1.602 64.921 63.200 0.199 0.000 1.069 356 S HN 0.177 nan 8.310 nan 0.000 0.500 357 I N 1.993 122.581 120.570 0.029 0.000 2.830 357 I HA 0.020 4.191 4.170 0.001 0.000 0.263 357 I C 0.363 176.368 176.117 -0.186 0.000 1.230 357 I CA 0.968 62.207 61.300 -0.102 0.000 1.480 357 I CB 0.150 38.044 38.000 -0.178 0.000 1.095 357 I HN 0.746 nan 8.210 nan 0.000 0.455 358 W N 0.729 122.083 121.300 0.090 0.000 3.316 358 W HA 0.147 4.807 4.660 0.001 0.000 0.327 358 W C 0.986 177.572 176.519 0.111 0.000 1.232 358 W CA -0.376 57.053 57.345 0.140 0.000 1.805 358 W CB 0.164 29.733 29.460 0.182 0.000 1.090 358 W HN 0.072 nan 8.180 nan 0.000 0.654 359 S N 1.304 117.122 115.700 0.195 0.000 2.462 359 S HA 0.703 5.174 4.470 0.001 0.000 0.294 359 S C -0.074 174.460 174.600 -0.109 0.000 1.144 359 S CA -0.940 57.304 58.200 0.074 0.000 1.088 359 S CB 1.743 64.997 63.200 0.091 0.000 1.009 359 S HN -0.009 nan 8.310 nan 0.000 0.484 360 R N 0.976 121.314 120.500 -0.270 0.000 2.912 360 R HA 0.604 4.945 4.340 0.001 0.000 0.262 360 R C -3.123 173.064 176.300 -0.187 0.000 1.057 360 R CA -2.344 53.550 56.100 -0.343 0.000 0.981 360 R CB -0.496 29.355 30.300 -0.749 0.000 1.201 360 R HN 0.392 nan 8.270 nan 0.000 0.484 361 P HA 0.103 nan 4.420 nan 0.000 0.267 361 P C -1.134 176.131 177.300 -0.058 0.000 1.201 361 P CA 0.243 63.285 63.100 -0.097 0.000 0.775 361 P CB 0.506 32.178 31.700 -0.047 0.000 0.854 362 A N 2.371 125.172 122.820 -0.032 0.000 2.475 362 A HA 0.741 5.062 4.320 0.001 0.000 0.301 362 A C -1.082 176.559 177.584 0.095 0.000 1.059 362 A CA -0.592 51.470 52.037 0.042 0.000 0.710 362 A CB 1.097 20.108 19.000 0.018 0.000 1.288 362 A HN 0.440 nan 8.150 nan 0.000 0.408 363 I N 1.767 122.451 120.570 0.190 0.000 2.466 363 I HA 0.444 4.614 4.170 0.001 0.000 0.289 363 I C -0.195 176.123 176.117 0.336 0.000 1.026 363 I CA -0.460 60.966 61.300 0.209 0.000 1.078 363 I CB 2.059 40.150 38.000 0.151 0.000 1.249 363 I HN 0.770 nan 8.210 nan 0.000 0.429 364 R N 4.795 125.479 120.500 0.307 0.000 2.832 364 R HA 0.836 5.177 4.340 0.001 0.000 0.271 364 R C -1.353 175.215 176.300 0.448 0.000 0.996 364 R CA -1.006 55.324 56.100 0.383 0.000 0.977 364 R CB 2.686 33.181 30.300 0.325 0.000 1.168 364 R HN 0.241 nan 8.270 nan 0.000 0.482 365 V N 3.173 123.366 119.914 0.464 0.000 2.525 365 V HA 0.567 4.688 4.120 0.001 0.000 0.299 365 V C -1.108 175.234 176.094 0.413 0.000 1.034 365 V CA -0.569 61.968 62.300 0.394 0.000 0.863 365 V CB 1.164 33.196 31.823 0.348 0.000 0.999 365 V HN 0.719 nan 8.190 nan 0.000 0.423 366 F N 2.855 122.978 119.950 0.288 0.000 2.715 366 F HA 1.024 5.551 4.527 0.001 0.000 0.318 366 F C -0.518 175.501 175.800 0.366 0.000 1.141 366 F CA -1.362 56.809 58.000 0.284 0.000 0.950 366 F CB 1.723 40.882 39.000 0.265 0.000 1.374 366 F HN 0.605 nan 8.300 nan 0.000 0.477 367 A N 0.785 123.887 122.820 0.469 0.000 2.488 367 A HA 0.767 5.088 4.320 0.001 0.000 0.298 367 A C -1.289 176.669 177.584 0.622 0.000 1.044 367 A CA -0.598 51.733 52.037 0.489 0.000 0.693 367 A CB 1.487 20.692 19.000 0.342 0.000 1.272 367 A HN 0.881 nan 8.150 nan 0.000 0.402 368 T N 1.257 116.236 114.554 0.709 0.000 2.893 368 T HA 0.655 5.005 4.350 0.001 0.000 0.291 368 T C -1.605 173.505 174.700 0.682 0.000 1.028 368 T CA -0.184 62.304 62.100 0.646 0.000 0.995 368 T CB 1.245 70.504 68.868 0.651 0.000 1.051 368 T HN 0.693 nan 8.240 nan 0.000 0.470 369 Y N 1.200 121.749 120.300 0.415 0.000 2.457 369 Y HA 0.680 5.230 4.550 0.001 0.000 0.343 369 Y C -1.383 174.636 175.900 0.199 0.000 0.994 369 Y CA -0.804 57.489 58.100 0.322 0.000 1.031 369 Y CB 1.323 39.928 38.460 0.242 0.000 1.246 369 Y HN 0.868 nan 8.280 nan 0.000 0.449 370 A N 5.388 127.693 122.820 -0.859 0.000 2.488 370 A HA 0.694 5.014 4.320 0.001 0.000 0.298 370 A C -1.881 175.165 177.584 -0.896 0.000 1.044 370 A CA -0.936 50.694 52.037 -0.679 0.000 0.693 370 A CB 1.540 20.254 19.000 -0.477 0.000 1.272 370 A HN 0.719 nan 8.150 nan 0.000 0.402 371 K N 1.708 121.672 120.400 -0.726 0.000 2.463 371 K HA 0.675 4.996 4.320 0.001 0.000 0.255 371 K C -1.171 175.186 176.600 -0.405 0.000 0.942 371 K CA -0.393 55.466 56.287 -0.713 0.000 0.814 371 K CB 0.973 33.110 32.500 -0.606 0.000 1.122 371 K HN 0.921 nan 8.250 nan 0.000 0.425 372 W N 1.551 122.670 121.300 -0.303 0.000 2.902 372 W HA 0.668 5.329 4.660 0.001 0.000 0.346 372 W C -1.236 175.220 176.519 -0.105 0.000 1.139 372 W CA -0.860 56.375 57.345 -0.184 0.000 1.139 372 W CB 1.147 30.515 29.460 -0.152 0.000 1.439 372 W HN 0.544 nan 8.180 nan 0.000 0.558 373 D N 0.833 121.324 120.400 0.151 0.000 2.337 373 D HA 0.178 4.819 4.640 0.001 0.000 0.238 373 D C -1.408 174.972 176.300 0.134 0.000 1.331 373 D CA -0.257 53.794 54.000 0.085 0.000 0.967 373 D CB 0.746 41.576 40.800 0.050 0.000 1.382 373 D HN 0.510 nan 8.370 nan 0.000 0.549 374 E N 2.099 122.397 120.200 0.162 0.000 2.156 374 E HA 0.320 4.671 4.350 0.001 0.000 0.279 374 E C 0.294 176.938 176.600 0.074 0.000 0.965 374 E CA -0.470 55.967 56.400 0.060 0.000 0.789 374 E CB 2.091 31.785 29.700 -0.009 0.000 1.098 374 E HN 0.209 nan 8.360 nan 0.000 0.397 375 K N 2.978 123.436 120.400 0.097 0.000 2.373 375 K HA 0.142 4.463 4.320 0.001 0.000 0.202 375 K C -0.512 176.260 176.600 0.286 0.000 1.025 375 K CA -0.148 56.244 56.287 0.175 0.000 1.115 375 K CB 0.632 33.239 32.500 0.179 0.000 0.858 375 K HN 0.513 nan 8.250 nan 0.000 0.525 376 W N -1.133 120.173 121.300 0.010 0.000 3.066 376 W HA 0.634 5.294 4.660 0.001 0.000 0.330 376 W C -1.104 175.375 176.519 -0.066 0.000 1.253 376 W CA -1.044 56.266 57.345 -0.058 0.000 1.187 376 W CB 0.524 29.912 29.460 -0.120 0.000 1.434 376 W HN -0.071 nan 8.180 nan 0.000 0.572 377 G N 0.282 109.290 108.800 0.346 0.000 2.663 377 G HA2 0.604 4.564 3.960 0.001 0.000 0.299 377 G HA3 0.604 4.564 3.960 0.001 0.000 0.299 377 G C -2.845 172.098 174.900 0.073 0.000 1.372 377 G CA -1.013 44.155 45.100 0.113 0.000 0.781 377 G HN 0.478 nan 8.290 nan 0.000 0.491 378 Y N 0.237 120.592 120.300 0.092 0.000 2.342 378 Y HA 0.404 4.954 4.550 0.001 0.000 0.334 378 Y C -0.037 175.696 175.900 -0.278 0.000 1.067 378 Y CA -0.391 57.619 58.100 -0.150 0.000 1.128 378 Y CB 1.917 40.246 38.460 -0.218 0.000 1.200 378 Y HN 0.393 nan 8.280 nan 0.000 0.464 379 D N 2.367 122.549 120.400 -0.364 0.000 2.352 379 D HA 0.059 4.699 4.640 0.001 0.000 0.245 379 D C -0.727 175.275 176.300 -0.496 0.000 1.224 379 D CA 0.269 54.142 54.000 -0.212 0.000 0.879 379 D CB 0.217 40.802 40.800 -0.359 0.000 1.057 379 D HN 0.443 nan 8.370 nan 0.000 0.491 380 Y N 1.339 121.653 120.300 0.024 0.000 2.612 380 Y HA 0.103 4.654 4.550 0.001 0.000 0.250 380 Y C 0.932 176.926 175.900 0.156 0.000 1.175 380 Y CA -0.397 57.603 58.100 -0.168 0.000 1.205 380 Y CB 0.044 38.435 38.460 -0.116 0.000 1.201 380 Y HN 0.258 nan 8.280 nan 0.000 0.532 381 T N -1.711 113.035 114.554 0.320 0.000 2.918 381 T HA 0.537 4.887 4.350 0.001 0.000 0.302 381 T C 1.046 175.933 174.700 0.312 0.000 1.045 381 T CA 0.395 62.662 62.100 0.279 0.000 1.114 381 T CB 1.288 70.298 68.868 0.236 0.000 0.965 381 T HN 0.665 nan 8.240 nan 0.000 0.540 382 G N 2.178 111.110 108.800 0.219 0.000 2.488 382 G HA2 -0.161 3.800 3.960 0.001 0.000 0.237 382 G HA3 -0.161 3.800 3.960 0.001 0.000 0.237 382 G C -0.549 174.396 174.900 0.076 0.000 1.209 382 G CA -0.061 45.127 45.100 0.146 0.000 0.929 382 G HN 1.104 nan 8.290 nan 0.000 0.578 383 N N -0.025 118.623 118.700 -0.087 0.000 2.284 383 N HA 0.538 5.278 4.740 0.001 0.000 0.289 383 N C 1.093 176.252 175.510 -0.585 0.000 1.179 383 N CA 0.251 53.092 53.050 -0.349 0.000 0.774 383 N CB 1.809 40.102 38.487 -0.323 0.000 1.548 383 N HN 1.267 nan 8.380 nan 0.000 0.473 384 A N 1.132 123.427 122.820 -0.875 0.000 2.125 384 A HA -0.132 4.189 4.320 0.001 0.000 0.219 384 A C 1.376 178.771 177.584 -0.314 0.000 1.156 384 A CA 1.542 53.144 52.037 -0.725 0.000 0.671 384 A CB -0.196 18.488 19.000 -0.526 0.000 0.794 384 A HN 0.769 nan 8.150 nan 0.000 0.459 385 D N -0.662 119.489 120.400 -0.415 0.000 2.269 385 D HA -0.054 4.587 4.640 0.001 0.000 0.220 385 D C 1.805 177.992 176.300 -0.189 0.000 0.962 385 D CA 0.754 54.588 54.000 -0.277 0.000 0.884 385 D CB -0.174 40.268 40.800 -0.597 0.000 1.023 385 D HN 0.246 nan 8.370 nan 0.000 0.484 386 N N 0.523 119.088 118.700 -0.226 0.000 2.069 386 N HA -0.131 4.609 4.740 0.001 0.000 0.191 386 N C 0.453 175.940 175.510 -0.039 0.000 1.031 386 N CA 0.767 53.752 53.050 -0.108 0.000 0.852 386 N CB -0.310 38.125 38.487 -0.086 0.000 1.018 386 N HN 0.178 nan 8.380 nan 0.000 0.423 387 N N -0.042 118.641 118.700 -0.029 0.000 2.473 387 N HA 0.301 5.042 4.740 0.001 0.000 0.291 387 N C -0.331 175.209 175.510 0.050 0.000 1.083 387 N CA -0.140 52.943 53.050 0.055 0.000 0.951 387 N CB 1.662 40.249 38.487 0.166 0.000 1.164 387 N HN 0.034 nan 8.380 nan 0.000 0.480 388 A N 2.754 125.608 122.820 0.057 0.000 2.348 388 A HA 0.188 4.509 4.320 0.001 0.000 0.224 388 A C 0.666 178.267 177.584 0.028 0.000 1.227 388 A CA 0.067 52.128 52.037 0.040 0.000 0.885 388 A CB 0.023 19.043 19.000 0.033 0.000 0.933 388 A HN 0.618 nan 8.150 nan 0.000 0.506 389 N N -0.878 117.839 118.700 0.028 0.000 2.234 389 N HA 0.209 4.949 4.740 0.001 0.000 0.227 389 N C -0.557 174.891 175.510 -0.103 0.000 1.151 389 N CA -0.419 52.595 53.050 -0.060 0.000 0.865 389 N CB -0.195 38.229 38.487 -0.106 0.000 1.066 389 N HN 0.394 nan 8.380 nan 0.000 0.515 390 F N 1.353 121.195 119.950 -0.180 0.000 2.571 390 F HA 0.278 4.806 4.527 0.001 0.000 0.390 390 F C 1.525 177.104 175.800 -0.369 0.000 1.043 390 F CA 0.844 58.684 58.000 -0.266 0.000 1.164 390 F CB 0.032 38.846 39.000 -0.309 0.000 1.049 390 F HN 0.308 nan 8.300 nan 0.000 0.552 391 G N 3.764 111.925 108.800 -1.064 0.000 2.141 391 G HA2 -0.231 3.729 3.960 0.001 0.000 0.242 391 G HA3 -0.231 3.729 3.960 0.001 0.000 0.242 391 G C 0.114 174.835 174.900 -0.299 0.000 0.982 391 G CA -0.203 44.411 45.100 -0.810 0.000 0.662 391 G HN 0.558 nan 8.290 nan 0.000 0.527 392 K N 0.287 120.495 120.400 -0.321 0.000 2.118 392 K HA 0.729 5.050 4.320 0.001 0.000 0.254 392 K C 0.520 176.902 176.600 -0.364 0.000 0.961 392 K CA -0.030 56.112 56.287 -0.241 0.000 0.876 392 K CB 1.829 34.170 32.500 -0.265 0.000 1.077 392 K HN 0.598 nan 8.250 nan 0.000 0.440 393 A N 1.690 124.250 122.820 -0.433 0.000 2.454 393 A HA 0.363 4.684 4.320 0.001 0.000 0.260 393 A C 0.127 177.375 177.584 -0.560 0.000 1.106 393 A CA -0.340 51.322 52.037 -0.625 0.000 0.780 393 A CB -0.184 18.279 19.000 -0.895 0.000 1.044 393 A HN 0.515 nan 8.150 nan 0.000 0.498 394 V N 0.166 119.763 119.914 -0.529 0.000 3.049 394 V HA 0.789 4.909 4.120 0.001 0.000 0.309 394 V C -3.008 172.875 176.094 -0.352 0.000 1.148 394 V CA -2.550 59.351 62.300 -0.666 0.000 0.990 394 V CB 1.859 32.901 31.823 -1.301 0.000 1.039 394 V HN 0.669 nan 8.190 nan 0.000 0.430 395 P HA 0.219 nan 4.420 nan 0.000 0.271 395 P C 0.863 178.254 177.300 0.151 0.000 1.233 395 P CA 0.618 63.742 63.100 0.040 0.000 0.789 395 P CB 0.785 32.532 31.700 0.079 0.000 0.951 396 A N 1.767 124.716 122.820 0.215 0.000 1.978 396 A HA -0.212 4.109 4.320 0.001 0.000 0.220 396 A C 1.202 178.978 177.584 0.320 0.000 1.170 396 A CA 2.316 54.513 52.037 0.267 0.000 0.636 396 A CB -1.291 17.825 19.000 0.193 0.000 0.810 396 A HN 0.669 nan 8.150 nan 0.000 0.448 397 D N -2.914 117.651 120.400 0.275 0.000 2.398 397 D HA 0.140 4.781 4.640 0.001 0.000 0.210 397 D C 0.362 176.848 176.300 0.310 0.000 1.094 397 D CA -0.677 53.476 54.000 0.256 0.000 0.839 397 D CB -0.690 40.201 40.800 0.153 0.000 0.963 397 D HN 0.213 nan 8.370 nan 0.000 0.506 398 F N 2.926 122.976 119.950 0.166 0.000 2.395 398 F HA -0.102 4.426 4.527 0.001 0.000 0.421 398 F C 0.735 176.638 175.800 0.173 0.000 0.942 398 F CA 0.396 58.448 58.000 0.087 0.000 1.107 398 F CB -0.092 38.835 39.000 -0.121 0.000 0.895 398 F HN 0.027 nan 8.300 nan 0.000 0.522 399 N N 4.415 122.866 118.700 -0.415 0.000 2.725 399 N HA -0.213 4.528 4.740 0.001 0.000 0.251 399 N C 1.156 176.636 175.510 -0.051 0.000 1.031 399 N CA 1.172 54.020 53.050 -0.337 0.000 0.720 399 N CB -1.252 36.919 38.487 -0.527 0.000 0.930 399 N HN 1.284 nan 8.380 nan 0.000 0.543 400 G N -2.017 106.790 108.800 0.012 0.000 2.284 400 G HA2 -0.325 3.636 3.960 0.001 0.000 0.268 400 G HA3 -0.325 3.636 3.960 0.001 0.000 0.268 400 G C 0.727 175.671 174.900 0.074 0.000 0.980 400 G CA 1.361 46.488 45.100 0.045 0.000 0.631 400 G HN 0.894 nan 8.290 nan 0.000 0.548 401 G N -0.324 108.552 108.800 0.126 0.000 2.621 401 G HA2 0.598 4.559 3.960 0.001 0.000 0.271 401 G HA3 0.598 4.559 3.960 0.001 0.000 0.271 401 G C 0.355 175.275 174.900 0.034 0.000 1.236 401 G CA 0.885 46.008 45.100 0.037 0.000 0.958 401 G HN 1.612 nan 8.290 nan 0.000 0.512 402 S N -1.036 114.571 115.700 -0.156 0.000 2.454 402 S HA 0.765 5.235 4.470 0.001 0.000 0.306 402 S C -0.936 173.474 174.600 -0.316 0.000 1.100 402 S CA -0.715 57.439 58.200 -0.076 0.000 1.087 402 S CB 1.228 64.405 63.200 -0.038 0.000 1.019 402 S HN 0.326 nan 8.310 nan 0.000 0.480 403 F N 1.166 121.166 119.950 0.084 0.000 2.712 403 F HA 0.850 5.378 4.527 0.001 0.000 0.367 403 F C 1.245 177.070 175.800 0.041 0.000 1.132 403 F CA 0.324 58.363 58.000 0.066 0.000 1.066 403 F CB 1.072 40.113 39.000 0.069 0.000 1.416 403 F HN 1.171 nan 8.300 nan 0.000 0.515 404 G N 0.947 109.854 108.800 0.178 0.000 2.894 404 G HA2 -0.280 3.681 3.960 0.001 0.000 0.247 404 G HA3 -0.280 3.681 3.960 0.001 0.000 0.247 404 G C 0.170 175.088 174.900 0.030 0.000 1.442 404 G CA -0.004 45.121 45.100 0.043 0.000 0.897 404 G HN 0.789 nan 8.290 nan 0.000 0.550 405 R N 0.369 120.874 120.500 0.008 0.000 2.300 405 R HA 0.445 4.786 4.340 0.001 0.000 0.199 405 R C 1.677 178.141 176.300 0.273 0.000 0.920 405 R CA 1.810 57.933 56.100 0.038 0.000 1.046 405 R CB -0.258 29.912 30.300 -0.217 0.000 0.984 405 R HN 2.320 nan 8.270 nan 0.000 0.493 406 G N 0.560 109.505 108.800 0.242 0.000 2.512 406 G HA2 -0.241 3.720 3.960 0.001 0.000 0.210 406 G HA3 -0.241 3.720 3.960 0.001 0.000 0.210 406 G C -1.505 173.513 174.900 0.196 0.000 1.295 406 G CA -0.169 45.069 45.100 0.229 0.000 0.934 406 G HN 0.270 nan 8.290 nan 0.000 0.554 407 D N -0.225 120.180 120.400 0.008 0.000 2.346 407 D HA 0.680 5.321 4.640 0.001 0.000 0.255 407 D C 0.004 176.088 176.300 -0.360 0.000 1.276 407 D CA 0.655 54.551 54.000 -0.174 0.000 0.941 407 D CB 1.038 41.795 40.800 -0.072 0.000 1.199 407 D HN 0.686 nan 8.370 nan 0.000 0.537 408 S N 2.544 117.718 115.700 -0.878 0.000 2.973 408 S HA 0.690 5.161 4.470 0.001 0.000 0.317 408 S C -1.777 172.049 174.600 -1.290 0.000 1.196 408 S CA -0.513 57.160 58.200 -0.878 0.000 0.894 408 S CB 1.329 64.228 63.200 -0.502 0.000 1.292 408 S HN 0.395 nan 8.310 nan 0.000 0.614 409 D N 0.063 119.897 120.400 -0.943 0.000 2.583 409 D HA 0.782 5.422 4.640 0.001 0.000 0.248 409 D C -1.661 174.439 176.300 -0.332 0.000 1.209 409 D CA 0.053 53.638 54.000 -0.692 0.000 0.848 409 D CB 2.085 42.740 40.800 -0.241 0.000 1.431 409 D HN 0.421 nan 8.370 nan 0.000 0.436 410 E N 0.002 120.056 120.200 -0.242 0.000 2.381 410 E HA 0.453 4.803 4.350 0.001 0.000 0.281 410 E C -1.834 174.891 176.600 0.210 0.000 1.151 410 E CA -0.801 55.633 56.400 0.057 0.000 0.904 410 E CB 0.563 30.324 29.700 0.102 0.000 1.234 410 E HN 0.400 nan 8.360 nan 0.000 0.427 411 W N 2.172 123.614 121.300 0.236 0.000 3.138 411 W HA 0.796 5.457 4.660 0.001 0.000 0.331 411 W C -1.129 175.664 176.519 0.456 0.000 1.166 411 W CA -0.438 57.135 57.345 0.380 0.000 1.212 411 W CB 0.479 30.199 29.460 0.434 0.000 1.399 411 W HN 0.697 nan 8.180 nan 0.000 0.514 412 T N -0.210 114.688 114.554 0.573 0.000 2.858 412 T HA 0.924 5.275 4.350 0.001 0.000 0.285 412 T C -1.030 174.017 174.700 0.580 0.000 1.052 412 T CA -0.655 61.639 62.100 0.324 0.000 1.009 412 T CB 2.564 71.607 68.868 0.290 0.000 1.241 412 T HN 1.004 nan 8.240 nan 0.000 0.542 413 F N -2.678 117.375 119.950 0.172 0.000 2.740 413 F HA 0.757 5.285 4.527 0.001 0.000 0.312 413 F C -0.432 175.159 175.800 -0.348 0.000 1.121 413 F CA -0.335 57.549 58.000 -0.192 0.000 0.977 413 F CB 0.837 39.876 39.000 0.064 0.000 1.265 413 F HN 1.143 nan 8.300 nan 0.000 0.443 414 G N 0.347 108.616 108.800 -0.885 0.000 2.393 414 G HA2 0.797 4.758 3.960 0.001 0.000 0.264 414 G HA3 0.797 4.758 3.960 0.001 0.000 0.264 414 G C -2.208 172.694 174.900 0.004 0.000 1.221 414 G CA -0.239 44.762 45.100 -0.164 0.000 0.912 414 G HN 1.729 nan 8.290 nan 0.000 0.483 415 A N -0.552 122.468 122.820 0.333 0.000 2.414 415 A HA 0.898 5.219 4.320 0.001 0.000 0.306 415 A C -0.581 177.220 177.584 0.360 0.000 1.054 415 A CA 0.117 52.376 52.037 0.369 0.000 0.724 415 A CB 1.972 21.129 19.000 0.262 0.000 1.267 415 A HN 1.291 nan 8.150 nan 0.000 0.418 416 Q N 1.709 121.701 119.800 0.320 0.000 2.534 416 Q HA 0.696 5.037 4.340 0.001 0.000 0.290 416 Q C -1.685 174.402 176.000 0.146 0.000 0.991 416 Q CA -0.847 55.077 55.803 0.201 0.000 0.783 416 Q CB 1.770 30.609 28.738 0.169 0.000 1.470 416 Q HN 0.915 nan 8.270 nan 0.000 0.406 417 M N 1.884 121.538 119.600 0.090 0.000 2.662 417 M HA 0.658 5.139 4.480 0.001 0.000 0.310 417 M C -1.807 174.514 176.300 0.034 0.000 1.204 417 M CA -0.159 55.173 55.300 0.054 0.000 0.891 417 M CB 1.969 34.582 32.600 0.022 0.000 1.732 417 M HN 0.927 nan 8.290 nan 0.000 0.467 418 E N 2.881 123.079 120.200 -0.005 0.000 2.375 418 E HA 0.743 5.094 4.350 0.001 0.000 0.280 418 E C -2.138 174.379 176.600 -0.139 0.000 0.972 418 E CA -0.748 55.625 56.400 -0.045 0.000 0.782 418 E CB 2.560 32.285 29.700 0.041 0.000 1.229 418 E HN 0.864 nan 8.360 nan 0.000 0.439 419 I N 3.427 123.865 120.570 -0.220 0.000 2.739 419 I HA 0.438 4.608 4.170 0.001 0.000 0.288 419 I C -2.209 173.935 176.117 0.046 0.000 1.582 419 I CA -0.529 60.665 61.300 -0.176 0.000 1.035 419 I CB 0.786 38.759 38.000 -0.046 0.000 1.432 419 I HN 0.732 nan 8.210 nan 0.000 0.444 420 W N 6.615 128.022 121.300 0.178 0.000 2.632 420 W HA 0.835 5.495 4.660 0.001 0.000 0.328 420 W C -1.389 175.295 176.519 0.275 0.000 1.044 420 W CA -0.830 56.627 57.345 0.186 0.000 1.225 420 W CB 0.059 29.625 29.460 0.177 0.000 1.396 420 W HN 0.645 nan 8.180 nan 0.000 0.499 421 W N 0.000 121.446 121.300 0.244 0.000 2.388 421 W HA 0.000 4.661 4.660 0.001 0.000 0.303 421 W CA 0.000 57.451 57.345 0.177 0.000 1.226 421 W CB 0.000 29.476 29.460 0.026 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535