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 1mpn_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 0.000 176.155 176.094 0.101 0.000 1.182 1 V CA 0.000 62.349 62.300 0.081 0.000 1.235 1 V CB 0.000 31.853 31.823 0.050 0.000 1.184 2 D N 3.951 124.429 120.400 0.130 0.000 2.175 2 D HA 0.624 5.264 4.640 0.001 0.000 0.248 2 D C -1.122 175.251 176.300 0.121 0.000 1.047 2 D CA 0.360 54.433 54.000 0.122 0.000 0.883 2 D CB 1.737 42.675 40.800 0.231 0.000 1.180 2 D HN 0.457 nan 8.370 nan 0.000 0.438 3 F N 3.177 122.971 119.950 -0.260 0.000 2.579 3 F HA 0.350 4.877 4.527 0.001 0.000 0.325 3 F C -1.265 174.359 175.800 -0.292 0.000 1.162 3 F CA -0.371 57.560 58.000 -0.115 0.000 0.946 3 F CB 0.928 39.972 39.000 0.072 0.000 1.211 3 F HN 0.279 nan 8.300 nan 0.000 0.447 4 H N 2.852 121.733 119.070 -0.316 0.000 2.977 4 H HA 0.878 5.435 4.556 0.001 0.000 0.350 4 H C -0.170 174.223 175.328 -1.559 0.000 1.238 4 H CA -0.616 54.807 56.048 -1.042 0.000 1.124 4 H CB 1.813 31.244 29.762 -0.552 0.000 1.866 4 H HN 0.882 nan 8.280 nan 0.000 0.550 5 G N -0.510 106.979 108.800 -2.185 0.000 2.364 5 G HA2 0.325 4.285 3.960 0.001 0.000 0.286 5 G HA3 0.325 4.285 3.960 0.001 0.000 0.286 5 G C -2.405 171.878 174.900 -1.028 0.000 1.241 5 G CA -0.488 43.599 45.100 -1.688 0.000 0.887 5 G HN 0.502 nan 8.290 nan 0.000 0.484 6 Y N -0.078 119.960 120.300 -0.436 0.000 2.552 6 Y HA 0.779 5.330 4.550 0.001 0.000 0.337 6 Y C -0.878 175.220 175.900 0.331 0.000 1.094 6 Y CA -0.317 57.883 58.100 0.166 0.000 1.028 6 Y CB 1.758 40.343 38.460 0.208 0.000 1.321 6 Y HN 1.773 nan 8.280 nan 0.000 0.456 7 A N 4.951 127.748 122.820 -0.038 0.000 2.594 7 A HA 0.826 5.146 4.320 0.001 0.000 0.296 7 A C -1.825 175.794 177.584 0.057 0.000 1.056 7 A CA -0.770 51.410 52.037 0.237 0.000 0.693 7 A CB 1.613 20.762 19.000 0.249 0.000 1.278 7 A HN 1.039 nan 8.150 nan 0.000 0.408 8 R N 0.076 120.743 120.500 0.278 0.000 2.651 8 R HA 0.902 5.243 4.340 0.001 0.000 0.278 8 R C -1.020 175.390 176.300 0.183 0.000 1.010 8 R CA -0.209 56.027 56.100 0.227 0.000 0.896 8 R CB 1.958 32.484 30.300 0.376 0.000 1.211 8 R HN 1.242 nan 8.270 nan 0.000 0.456 9 S N 0.711 116.484 115.700 0.122 0.000 2.552 9 S HA 0.842 5.313 4.470 0.001 0.000 0.272 9 S C -1.191 173.457 174.600 0.080 0.000 1.150 9 S CA 0.139 58.393 58.200 0.091 0.000 0.849 9 S CB 1.780 65.017 63.200 0.061 0.000 1.113 9 S HN 1.214 nan 8.310 nan 0.000 0.458 10 G N 1.533 110.370 108.800 0.061 0.000 2.428 10 G HA2 0.579 4.540 3.960 0.001 0.000 0.305 10 G HA3 0.579 4.540 3.960 0.001 0.000 0.305 10 G C -2.041 172.866 174.900 0.012 0.000 1.260 10 G CA -0.071 45.069 45.100 0.068 0.000 0.853 10 G HN 1.227 nan 8.290 nan 0.000 0.480 11 I N -0.342 120.231 120.570 0.004 0.000 2.692 11 I HA 0.758 4.929 4.170 0.001 0.000 0.293 11 I C -0.214 175.759 176.117 -0.240 0.000 1.200 11 I CA -0.312 60.883 61.300 -0.176 0.000 1.036 11 I CB 1.994 39.870 38.000 -0.207 0.000 1.258 11 I HN 1.205 nan 8.210 nan 0.000 0.421 12 G N 5.767 114.263 108.800 -0.506 0.000 2.684 12 G HA2 0.546 4.507 3.960 0.001 0.000 0.290 12 G HA3 0.546 4.507 3.960 0.001 0.000 0.290 12 G C -2.397 172.060 174.900 -0.738 0.000 1.425 12 G CA -0.514 44.336 45.100 -0.417 0.000 0.822 12 G HN 0.540 nan 8.290 nan 0.000 0.482 13 W N 0.113 121.124 121.300 -0.482 0.000 2.936 13 W HA 0.498 5.159 4.660 0.001 0.000 0.338 13 W C -0.652 175.451 176.519 -0.693 0.000 1.121 13 W CA -0.559 56.419 57.345 -0.611 0.000 1.209 13 W CB 2.581 31.525 29.460 -0.859 0.000 1.420 13 W HN 0.431 nan 8.180 nan 0.000 0.516 14 T N 1.408 115.816 114.554 -0.244 0.000 2.799 14 T HA 0.218 4.569 4.350 0.001 0.000 0.286 14 T C 1.303 175.769 174.700 -0.388 0.000 0.973 14 T CA 0.050 61.995 62.100 -0.257 0.000 1.035 14 T CB 1.708 70.508 68.868 -0.112 0.000 0.932 14 T HN 0.619 nan 8.240 nan 0.000 0.469 15 G N 2.456 110.817 108.800 -0.732 0.000 2.574 15 G HA2 -0.307 3.653 3.960 0.001 0.000 0.220 15 G HA3 -0.307 3.653 3.960 0.001 0.000 0.220 15 G C 1.927 176.615 174.900 -0.353 0.000 1.173 15 G CA 1.522 45.927 45.100 -1.159 0.000 0.772 15 G HN 0.772 nan 8.290 nan 0.000 0.585 16 S N -0.216 115.378 115.700 -0.176 0.000 2.383 16 S HA 0.374 4.845 4.470 0.001 0.000 0.227 16 S C 1.056 175.661 174.600 0.008 0.000 1.026 16 S CA 1.309 59.507 58.200 -0.003 0.000 0.981 16 S CB -0.192 63.032 63.200 0.040 0.000 0.818 16 S HN 1.641 nan 8.310 nan 0.000 0.472 17 G N -1.638 107.150 108.800 -0.020 0.000 2.386 17 G HA2 0.548 4.509 3.960 0.001 0.000 0.302 17 G HA3 0.548 4.509 3.960 0.001 0.000 0.302 17 G C 0.033 174.934 174.900 0.001 0.000 1.629 17 G CA -0.205 44.901 45.100 0.010 0.000 0.917 17 G HN 1.475 nan 8.290 nan 0.000 0.676 18 G N 0.314 109.128 108.800 0.025 0.000 2.752 18 G HA2 0.241 4.202 3.960 0.001 0.000 0.234 18 G HA3 0.241 4.202 3.960 0.001 0.000 0.234 18 G C 0.420 175.289 174.900 -0.053 0.000 1.367 18 G CA 0.811 45.913 45.100 0.002 0.000 0.879 18 G HN 2.116 nan 8.290 nan 0.000 0.563 19 E N 0.057 120.194 120.200 -0.106 0.000 2.461 19 E HA 0.286 4.637 4.350 0.001 0.000 0.263 19 E C 0.921 177.413 176.600 -0.181 0.000 1.143 19 E CA 0.563 56.846 56.400 -0.196 0.000 0.994 19 E CB 0.202 29.802 29.700 -0.166 0.000 0.973 19 E HN 0.949 nan 8.360 nan 0.000 0.457 20 Q N 0.945 120.612 119.800 -0.221 0.000 2.354 20 Q HA 0.131 4.471 4.340 0.001 0.000 0.244 20 Q C -0.619 175.282 176.000 -0.164 0.000 0.969 20 Q CA -0.273 55.428 55.803 -0.169 0.000 0.885 20 Q CB 0.970 29.629 28.738 -0.132 0.000 1.241 20 Q HN 0.533 nan 8.270 nan 0.000 0.461 21 Q N 0.831 120.515 119.800 -0.194 0.000 2.351 21 Q HA 0.563 4.904 4.340 0.001 0.000 0.273 21 Q C -1.263 174.322 176.000 -0.691 0.000 1.077 21 Q CA -0.997 54.603 55.803 -0.339 0.000 0.843 21 Q CB 2.394 30.981 28.738 -0.252 0.000 1.367 21 Q HN 0.730 nan 8.270 nan 0.000 0.449 22 c N 1.098 119.266 118.600 -0.721 0.000 2.454 22 c HA 0.664 5.235 4.570 0.001 0.000 0.336 22 c C -1.099 172.406 174.090 -0.975 0.000 1.189 22 c CA -0.622 55.222 56.329 -0.807 0.000 1.877 22 c CB 0.202 42.488 42.510 -0.373 0.000 2.348 22 c HN 0.629 nan 8.230 nan 0.000 0.508 23 F N 1.990 121.889 119.950 -0.086 0.000 2.460 23 F HA 0.584 5.112 4.527 0.001 0.000 0.341 23 F C 0.104 175.821 175.800 -0.139 0.000 1.130 23 F CA -0.460 57.442 58.000 -0.162 0.000 0.962 23 F CB 0.867 39.799 39.000 -0.114 0.000 1.171 23 F HN 0.499 nan 8.300 nan 0.000 0.436 24 Q N 1.703 121.466 119.800 -0.062 0.000 2.323 24 Q HA 0.409 4.750 4.340 0.001 0.000 0.271 24 Q C -0.956 174.953 176.000 -0.152 0.000 1.048 24 Q CA -0.594 55.156 55.803 -0.087 0.000 0.792 24 Q CB 2.035 30.701 28.738 -0.122 0.000 1.280 24 Q HN 0.656 nan 8.270 nan 0.000 0.441 25 T N 3.019 117.501 114.554 -0.120 0.000 2.853 25 T HA 0.065 4.416 4.350 0.001 0.000 0.298 25 T C -0.254 174.298 174.700 -0.247 0.000 0.978 25 T CA 0.319 62.319 62.100 -0.167 0.000 1.152 25 T CB 0.372 69.180 68.868 -0.100 0.000 0.914 25 T HN 0.545 nan 8.240 nan 0.000 0.539 26 T N 4.104 118.481 114.554 -0.295 0.000 2.758 26 T HA 0.374 4.725 4.350 0.001 0.000 0.281 26 T C 1.481 175.936 174.700 -0.408 0.000 0.963 26 T CA 0.837 62.737 62.100 -0.334 0.000 1.201 26 T CB -0.024 68.605 68.868 -0.398 0.000 0.906 26 T HN 0.948 nan 8.240 nan 0.000 0.528 27 G N 2.454 111.111 108.800 -0.238 0.000 2.352 27 G HA2 -0.022 3.939 3.960 0.001 0.000 0.204 27 G HA3 -0.022 3.939 3.960 0.001 0.000 0.204 27 G C 0.302 174.947 174.900 -0.425 0.000 1.004 27 G CA -0.212 44.813 45.100 -0.125 0.000 0.648 27 G HN 1.069 nan 8.290 nan 0.000 0.491 28 A N 0.394 122.830 122.820 -0.641 0.000 2.322 28 A HA 0.668 4.989 4.320 0.001 0.000 0.269 28 A C 0.877 177.871 177.584 -0.984 0.000 1.094 28 A CA 0.554 51.811 52.037 -1.300 0.000 0.807 28 A CB 0.304 18.838 19.000 -0.777 0.000 1.047 28 A HN 0.457 nan 8.150 nan 0.000 0.487 29 Q N 0.592 119.584 119.800 -1.346 0.000 2.211 29 Q HA 0.249 4.590 4.340 0.001 0.000 0.231 29 Q C -0.259 175.660 176.000 -0.135 0.000 0.865 29 Q CA 0.324 55.832 55.803 -0.491 0.000 0.997 29 Q CB -0.116 28.495 28.738 -0.211 0.000 1.101 29 Q HN 0.796 nan 8.270 nan 0.000 0.468 30 S N 0.013 115.637 115.700 -0.128 0.000 2.615 30 S HA 0.585 5.056 4.470 0.001 0.000 0.268 30 S C -1.455 173.115 174.600 -0.049 0.000 1.146 30 S CA -1.162 57.038 58.200 -0.001 0.000 0.818 30 S CB 1.586 64.824 63.200 0.064 0.000 1.111 30 S HN 0.264 nan 8.310 nan 0.000 0.465 31 K N -0.246 120.104 120.400 -0.084 0.000 2.443 31 K HA 0.618 4.938 4.320 0.001 0.000 0.251 31 K C -1.904 174.618 176.600 -0.131 0.000 0.972 31 K CA -1.021 55.228 56.287 -0.063 0.000 0.833 31 K CB 0.934 33.424 32.500 -0.016 0.000 1.317 31 K HN 0.534 nan 8.250 nan 0.000 0.441 32 Y N 2.035 122.394 120.300 0.098 0.000 2.613 32 Y HA 0.152 4.702 4.550 0.001 0.000 0.354 32 Y C 1.755 177.700 175.900 0.076 0.000 1.063 32 Y CA -0.204 57.956 58.100 0.100 0.000 1.384 32 Y CB 0.745 39.285 38.460 0.134 0.000 1.199 32 Y HN 0.735 nan 8.280 nan 0.000 0.517 33 R N 2.069 122.641 120.500 0.120 0.000 2.224 33 R HA -0.247 4.094 4.340 0.001 0.000 0.251 33 R C 0.396 176.732 176.300 0.060 0.000 1.123 33 R CA 1.411 57.549 56.100 0.064 0.000 0.944 33 R CB -0.358 29.956 30.300 0.023 0.000 0.910 33 R HN 0.592 nan 8.270 nan 0.000 0.440 34 L N 1.281 122.563 121.223 0.100 0.000 2.584 34 L HA -0.049 4.291 4.340 0.001 0.000 0.272 34 L C 0.684 177.507 176.870 -0.078 0.000 1.195 34 L CA 0.995 55.855 54.840 0.033 0.000 0.920 34 L CB 0.337 42.453 42.059 0.096 0.000 1.173 34 L HN 0.822 nan 8.230 nan 0.000 0.489 35 G N 3.609 112.189 108.800 -0.367 0.000 2.356 35 G HA2 -0.343 3.617 3.960 0.001 0.000 0.296 35 G HA3 -0.343 3.617 3.960 0.001 0.000 0.296 35 G C 0.344 175.073 174.900 -0.284 0.000 1.022 35 G CA 0.823 45.390 45.100 -0.889 0.000 0.961 35 G HN 0.822 nan 8.290 nan 0.000 0.510 36 N N -0.391 118.216 118.700 -0.155 0.000 2.453 36 N HA 0.171 4.912 4.740 0.001 0.000 0.267 36 N C -0.499 174.958 175.510 -0.088 0.000 1.482 36 N CA -0.113 52.901 53.050 -0.060 0.000 0.841 36 N CB 0.647 39.167 38.487 0.056 0.000 1.408 36 N HN 0.574 nan 8.380 nan 0.000 0.490 37 E N -0.329 119.814 120.200 -0.095 0.000 2.210 37 E HA 0.402 4.753 4.350 0.001 0.000 0.266 37 E C -0.581 175.986 176.600 -0.054 0.000 0.883 37 E CA -0.626 55.738 56.400 -0.059 0.000 0.761 37 E CB 1.605 31.299 29.700 -0.009 0.000 1.156 37 E HN 0.169 nan 8.360 nan 0.000 0.412 38 c N 3.218 121.780 118.600 -0.063 0.000 2.557 38 c HA 0.282 4.853 4.570 0.001 0.000 0.281 38 c C -0.325 173.747 174.090 -0.029 0.000 1.490 38 c CA -0.453 55.839 56.329 -0.062 0.000 1.771 38 c CB -1.449 40.995 42.510 -0.111 0.000 2.887 38 c HN 0.677 nan 8.230 nan 0.000 0.527 39 E N -1.002 119.207 120.200 0.014 0.000 2.446 39 E HA 0.482 4.833 4.350 0.001 0.000 0.276 39 E C -0.789 175.874 176.600 0.105 0.000 0.969 39 E CA -0.495 55.936 56.400 0.051 0.000 0.800 39 E CB 0.436 30.176 29.700 0.067 0.000 1.341 39 E HN -0.132 nan 8.360 nan 0.000 0.460 40 T N 1.263 115.892 114.554 0.124 0.000 2.788 40 T HA 0.377 4.727 4.350 0.001 0.000 0.296 40 T C -1.657 173.183 174.700 0.234 0.000 1.009 40 T CA -0.392 61.798 62.100 0.150 0.000 0.949 40 T CB -0.174 68.746 68.868 0.088 0.000 0.946 40 T HN 0.359 nan 8.240 nan 0.000 0.453 41 Y N 2.722 123.119 120.300 0.162 0.000 2.468 41 Y HA 0.723 5.274 4.550 0.001 0.000 0.342 41 Y C -0.799 175.269 175.900 0.281 0.000 1.021 41 Y CA -1.254 56.957 58.100 0.186 0.000 1.079 41 Y CB 1.394 39.943 38.460 0.148 0.000 1.226 41 Y HN 0.690 nan 8.280 nan 0.000 0.460 42 A N 4.835 127.327 122.820 -0.546 0.000 2.532 42 A HA 0.531 4.852 4.320 0.001 0.000 0.296 42 A C -1.765 175.691 177.584 -0.214 0.000 1.058 42 A CA -0.869 51.062 52.037 -0.178 0.000 0.729 42 A CB 1.076 20.100 19.000 0.041 0.000 1.285 42 A HN 0.746 nan 8.150 nan 0.000 0.396 43 E N 2.201 122.369 120.200 -0.053 0.000 2.145 43 E HA 0.525 4.876 4.350 0.001 0.000 0.270 43 E C -1.181 175.450 176.600 0.050 0.000 0.906 43 E CA -0.533 55.858 56.400 -0.016 0.000 0.761 43 E CB 1.974 31.659 29.700 -0.024 0.000 1.116 43 E HN 0.556 nan 8.360 nan 0.000 0.408 44 L N 3.719 125.022 121.223 0.134 0.000 2.295 44 L HA 0.417 4.758 4.340 0.001 0.000 0.281 44 L C -0.128 176.817 176.870 0.126 0.000 1.018 44 L CA -0.645 54.327 54.840 0.219 0.000 0.841 44 L CB 0.716 42.991 42.059 0.360 0.000 1.218 44 L HN 0.305 nan 8.230 nan 0.000 0.424 45 K N 4.498 124.910 120.400 0.021 0.000 2.130 45 K HA 0.691 5.012 4.320 0.001 0.000 0.268 45 K C -0.806 175.881 176.600 0.144 0.000 0.983 45 K CA -0.538 55.741 56.287 -0.014 0.000 0.893 45 K CB 2.113 34.540 32.500 -0.122 0.000 1.066 45 K HN 0.464 nan 8.250 nan 0.000 0.450 46 L N 2.482 123.741 121.223 0.060 0.000 2.529 46 L HA 0.367 4.707 4.340 0.001 0.000 0.260 46 L C -0.150 176.685 176.870 -0.058 0.000 0.997 46 L CA -0.608 54.284 54.840 0.086 0.000 0.885 46 L CB 1.698 43.810 42.059 0.088 0.000 1.185 46 L HN 0.844 nan 8.230 nan 0.000 0.442 47 G N 1.798 110.587 108.800 -0.017 0.000 2.932 47 G HA2 0.738 4.698 3.960 0.001 0.000 0.283 47 G HA3 0.738 4.698 3.960 0.001 0.000 0.283 47 G C -1.449 173.418 174.900 -0.054 0.000 1.336 47 G CA -0.298 44.706 45.100 -0.159 0.000 1.056 47 G HN 0.441 nan 8.290 nan 0.000 0.522 48 Q N -1.065 118.555 119.800 -0.299 0.000 2.616 48 Q HA 0.175 4.516 4.340 0.001 0.000 0.254 48 Q C -1.702 174.289 176.000 -0.015 0.000 0.975 48 Q CA -0.557 55.255 55.803 0.015 0.000 0.976 48 Q CB 1.607 30.408 28.738 0.105 0.000 1.594 48 Q HN 0.610 nan 8.270 nan 0.000 0.425 49 E N 2.860 123.289 120.200 0.381 0.000 2.070 49 E HA 0.205 4.555 4.350 0.001 0.000 0.282 49 E C 0.652 177.428 176.600 0.293 0.000 1.104 49 E CA 0.020 56.702 56.400 0.471 0.000 0.876 49 E CB 0.794 30.741 29.700 0.412 0.000 1.055 49 E HN 0.527 nan 8.360 nan 0.000 0.401 50 V N 2.580 122.657 119.914 0.272 0.000 3.406 50 V HA 0.229 4.350 4.120 0.001 0.000 0.263 50 V C 0.190 176.492 176.094 0.347 0.000 1.172 50 V CA 0.007 62.439 62.300 0.220 0.000 1.140 50 V CB -0.905 30.972 31.823 0.090 0.000 0.784 50 V HN 0.674 nan 8.190 nan 0.000 0.467 51 W N 0.094 121.503 121.300 0.180 0.000 3.800 51 W HA 0.598 5.259 4.660 0.001 0.000 0.299 51 W C -1.290 175.344 176.519 0.192 0.000 1.231 51 W CA -0.676 56.778 57.345 0.181 0.000 1.232 51 W CB 1.126 30.715 29.460 0.215 0.000 1.291 51 W HN -0.159 nan 8.180 nan 0.000 0.514 52 K N 4.186 124.539 120.400 -0.077 0.000 2.468 52 K HA 0.360 4.681 4.320 0.001 0.000 0.252 52 K C -1.307 174.846 176.600 -0.745 0.000 0.932 52 K CA -0.520 55.616 56.287 -0.252 0.000 0.794 52 K CB 2.161 34.620 32.500 -0.070 0.000 1.241 52 K HN 0.611 nan 8.250 nan 0.000 0.428 53 E N 2.559 122.333 120.200 -0.709 0.000 2.768 53 E HA 0.227 4.578 4.350 0.001 0.000 0.290 53 E C -0.130 176.320 176.600 -0.251 0.000 1.100 53 E CA -0.049 56.006 56.400 -0.575 0.000 0.768 53 E CB 1.324 30.555 29.700 -0.782 0.000 1.501 53 E HN 1.007 nan 8.360 nan 0.000 0.384 54 G N 3.402 112.100 108.800 -0.170 0.000 2.588 54 G HA2 -0.370 3.591 3.960 0.001 0.000 0.273 54 G HA3 -0.370 3.591 3.960 0.001 0.000 0.273 54 G C 0.565 175.428 174.900 -0.061 0.000 1.211 54 G CA 0.503 45.549 45.100 -0.090 0.000 0.958 54 G HN 0.500 nan 8.290 nan 0.000 0.543 55 D N 1.627 122.007 120.400 -0.034 0.000 2.249 55 D HA 0.173 4.813 4.640 0.001 0.000 0.205 55 D C 1.194 177.495 176.300 0.002 0.000 0.962 55 D CA 0.871 54.861 54.000 -0.016 0.000 0.860 55 D CB 0.049 40.843 40.800 -0.010 0.000 0.955 55 D HN 0.516 nan 8.370 nan 0.000 0.505 56 K N 0.681 121.099 120.400 0.029 0.000 2.322 56 K HA 0.383 4.704 4.320 0.001 0.000 0.283 56 K C -0.182 176.549 176.600 0.218 0.000 1.042 56 K CA -0.082 56.280 56.287 0.125 0.000 0.958 56 K CB 1.085 33.749 32.500 0.273 0.000 0.984 56 K HN -0.017 nan 8.250 nan 0.000 0.473 57 S N 1.674 117.487 115.700 0.189 0.000 2.550 57 S HA 0.590 5.061 4.470 0.001 0.000 0.270 57 S C -1.244 173.439 174.600 0.138 0.000 1.145 57 S CA -1.066 57.315 58.200 0.302 0.000 0.852 57 S CB 0.697 64.008 63.200 0.186 0.000 1.119 57 S HN 0.336 nan 8.310 nan 0.000 0.465 58 F N 1.771 121.927 119.950 0.342 0.000 2.460 58 F HA 0.545 5.072 4.527 0.001 0.000 0.341 58 F C -0.723 175.248 175.800 0.283 0.000 1.130 58 F CA -0.611 57.514 58.000 0.210 0.000 0.962 58 F CB 1.485 40.523 39.000 0.064 0.000 1.171 58 F HN 0.753 nan 8.300 nan 0.000 0.436 59 Y N 4.443 124.931 120.300 0.315 0.000 2.360 59 Y HA 0.539 5.090 4.550 0.001 0.000 0.337 59 Y C -1.443 174.632 175.900 0.293 0.000 1.039 59 Y CA -1.847 56.401 58.100 0.248 0.000 1.109 59 Y CB 1.207 39.757 38.460 0.150 0.000 1.201 59 Y HN 0.441 nan 8.280 nan 0.000 0.458 60 F N 5.920 125.486 119.950 -0.641 0.000 2.444 60 F HA 0.493 5.020 4.527 0.001 0.000 0.342 60 F C -1.268 174.173 175.800 -0.598 0.000 1.121 60 F CA -0.799 56.952 58.000 -0.415 0.000 0.997 60 F CB 0.894 39.746 39.000 -0.246 0.000 1.130 60 F HN 0.516 nan 8.300 nan 0.000 0.454 61 D N 2.919 122.935 120.400 -0.639 0.000 2.575 61 D HA 0.594 5.235 4.640 0.001 0.000 0.236 61 D C -1.125 174.749 176.300 -0.710 0.000 1.075 61 D CA 0.038 53.680 54.000 -0.596 0.000 0.860 61 D CB 2.303 42.979 40.800 -0.206 0.000 1.475 61 D HN 0.684 nan 8.370 nan 0.000 0.474 62 T N -0.132 114.073 114.554 -0.581 0.000 2.883 62 T HA 0.611 4.962 4.350 0.001 0.000 0.301 62 T C -1.117 173.347 174.700 -0.393 0.000 1.158 62 T CA -0.997 60.803 62.100 -0.501 0.000 1.007 62 T CB 1.313 69.931 68.868 -0.417 0.000 1.186 62 T HN 0.374 nan 8.240 nan 0.000 0.499 63 N N 0.593 119.021 118.700 -0.453 0.000 2.369 63 N HA 0.572 5.312 4.740 0.001 0.000 0.287 63 N C -2.014 173.327 175.510 -0.282 0.000 1.067 63 N CA -0.738 52.091 53.050 -0.368 0.000 0.888 63 N CB 2.160 40.309 38.487 -0.563 0.000 1.616 63 N HN 0.540 nan 8.380 nan 0.000 0.482 64 V N 2.198 122.057 119.914 -0.091 0.000 2.409 64 V HA 0.638 4.758 4.120 0.001 0.000 0.290 64 V C -0.259 175.828 176.094 -0.012 0.000 1.017 64 V CA -0.599 61.690 62.300 -0.018 0.000 0.841 64 V CB 1.020 32.916 31.823 0.122 0.000 1.003 64 V HN 0.804 nan 8.190 nan 0.000 0.426 65 A N 5.051 127.803 122.820 -0.113 0.000 2.310 65 A HA 0.873 5.194 4.320 0.001 0.000 0.299 65 A C -1.332 176.098 177.584 -0.256 0.000 1.147 65 A CA -0.232 51.744 52.037 -0.102 0.000 0.818 65 A CB 0.567 19.569 19.000 0.002 0.000 1.096 65 A HN 0.717 nan 8.150 nan 0.000 0.495 66 Y N 0.295 120.526 120.300 -0.116 0.000 2.425 66 Y HA 0.616 5.167 4.550 0.001 0.000 0.344 66 Y C 0.379 176.268 175.900 -0.020 0.000 0.969 66 Y CA -0.441 57.631 58.100 -0.047 0.000 1.052 66 Y CB 2.601 41.032 38.460 -0.047 0.000 1.215 66 Y HN 0.600 nan 8.280 nan 0.000 0.451 67 S N 3.152 118.980 115.700 0.213 0.000 2.776 67 S HA 0.768 5.238 4.470 0.001 0.000 0.284 67 S C -1.387 173.303 174.600 0.151 0.000 1.160 67 S CA -0.525 57.824 58.200 0.248 0.000 1.051 67 S CB 0.025 63.397 63.200 0.287 0.000 1.037 67 S HN 0.664 nan 8.310 nan 0.000 0.485 68 V N 2.228 122.217 119.914 0.124 0.000 3.126 68 V HA 0.964 5.085 4.120 0.001 0.000 0.314 68 V C 0.841 176.968 176.094 0.054 0.000 1.138 68 V CA -0.407 61.937 62.300 0.073 0.000 1.034 68 V CB 1.229 33.083 31.823 0.051 0.000 1.075 68 V HN 0.887 nan 8.190 nan 0.000 0.442 69 A N 0.478 123.315 122.820 0.030 0.000 2.251 69 A HA 0.189 4.510 4.320 0.001 0.000 0.209 69 A C 1.103 178.684 177.584 -0.004 0.000 1.187 69 A CA 0.640 52.683 52.037 0.010 0.000 0.823 69 A CB -0.900 18.099 19.000 -0.001 0.000 0.846 69 A HN 1.710 nan 8.150 nan 0.000 0.486 70 Q N -1.217 118.585 119.800 0.003 0.000 2.435 70 Q HA -0.272 4.068 4.340 0.001 0.000 0.312 70 Q C -0.345 175.635 176.000 -0.033 0.000 1.333 70 Q CA 1.185 56.981 55.803 -0.011 0.000 0.883 70 Q CB -1.819 26.913 28.738 -0.009 0.000 1.170 70 Q HN 0.513 nan 8.270 nan 0.000 0.443 71 Q N -0.143 119.643 119.800 -0.022 0.000 2.189 71 Q HA 0.369 4.710 4.340 0.001 0.000 0.223 71 Q C -0.191 175.803 176.000 -0.010 0.000 0.828 71 Q CA 0.279 56.062 55.803 -0.033 0.000 0.967 71 Q CB 0.892 29.612 28.738 -0.031 0.000 1.139 71 Q HN 0.545 nan 8.270 nan 0.000 0.497 72 N N -0.527 118.179 118.700 0.010 0.000 3.020 72 N HA 0.019 4.760 4.740 0.001 0.000 0.248 72 N C -0.118 175.420 175.510 0.046 0.000 1.480 72 N CA -0.262 52.810 53.050 0.036 0.000 0.874 72 N CB 1.742 40.266 38.487 0.062 0.000 1.433 72 N HN -0.154 nan 8.380 nan 0.000 0.530 73 D N -0.088 120.358 120.400 0.075 0.000 2.129 73 D HA -0.085 4.556 4.640 0.001 0.000 0.220 73 D C 0.140 176.506 176.300 0.111 0.000 0.988 73 D CA 0.819 54.868 54.000 0.082 0.000 0.904 73 D CB -0.109 40.752 40.800 0.102 0.000 1.018 73 D HN 0.411 nan 8.370 nan 0.000 0.444 74 W N 2.789 124.089 121.300 0.001 0.000 2.724 74 W HA 0.182 4.843 4.660 0.001 0.000 0.347 74 W C -0.961 175.563 176.519 0.010 0.000 1.338 74 W CA 0.171 57.519 57.345 0.005 0.000 1.450 74 W CB -0.535 28.927 29.460 0.004 0.000 1.534 74 W HN 0.168 nan 8.180 nan 0.000 0.508 75 E N 4.846 124.972 120.200 -0.123 0.000 2.207 75 E HA 0.419 4.770 4.350 0.001 0.000 0.250 75 E C -0.060 176.468 176.600 -0.121 0.000 0.890 75 E CA -0.511 55.878 56.400 -0.018 0.000 0.749 75 E CB 1.122 30.820 29.700 -0.002 0.000 1.193 75 E HN 0.395 nan 8.360 nan 0.000 0.423 76 A N 2.789 125.604 122.820 -0.008 0.000 2.386 76 A HA 0.516 4.836 4.320 0.001 0.000 0.248 76 A C 0.315 177.919 177.584 0.033 0.000 1.082 76 A CA 0.146 52.188 52.037 0.007 0.000 0.789 76 A CB 1.080 20.184 19.000 0.173 0.000 1.025 76 A HN 0.487 nan 8.150 nan 0.000 0.490 77 T N -0.063 114.512 114.554 0.035 0.000 2.786 77 T HA 0.444 4.794 4.350 0.001 0.000 0.316 77 T C -2.093 172.620 174.700 0.022 0.000 1.503 77 T CA -0.727 61.398 62.100 0.041 0.000 1.019 77 T CB 1.217 70.124 68.868 0.065 0.000 1.415 77 T HN 0.504 nan 8.240 nan 0.000 0.496 78 D N 3.976 124.376 120.400 -0.001 0.000 2.373 78 D HA 0.470 5.111 4.640 0.001 0.000 0.227 78 D C -1.805 174.444 176.300 -0.085 0.000 1.091 78 D CA -0.925 53.057 54.000 -0.029 0.000 0.840 78 D CB 1.465 42.254 40.800 -0.018 0.000 1.060 78 D HN 0.412 nan 8.370 nan 0.000 0.502 79 P HA 0.360 nan 4.420 nan 0.000 0.277 79 P C -1.142 176.048 177.300 -0.184 0.000 1.240 79 P CA -0.674 62.214 63.100 -0.354 0.000 0.798 79 P CB 1.211 32.528 31.700 -0.639 0.000 0.979 80 A N 2.450 125.177 122.820 -0.156 0.000 2.276 80 A HA 0.385 4.706 4.320 0.001 0.000 0.316 80 A C -0.744 176.853 177.584 0.021 0.000 1.229 80 A CA -0.563 51.454 52.037 -0.033 0.000 0.851 80 A CB -0.171 18.823 19.000 -0.010 0.000 1.165 80 A HN 0.508 nan 8.150 nan 0.000 0.513 81 F N 3.730 123.630 119.950 -0.082 0.000 2.451 81 F HA 0.302 4.830 4.527 0.001 0.000 0.356 81 F C 1.229 177.001 175.800 -0.047 0.000 1.178 81 F CA -0.690 57.268 58.000 -0.071 0.000 1.210 81 F CB 0.338 39.305 39.000 -0.054 0.000 1.504 81 F HN 0.742 nan 8.300 nan 0.000 0.598 82 R N 2.447 122.778 120.500 -0.281 0.000 2.153 82 R HA 0.037 4.378 4.340 0.001 0.000 0.218 82 R C -0.244 175.851 176.300 -0.342 0.000 1.072 82 R CA 0.825 56.801 56.100 -0.207 0.000 0.990 82 R CB -0.032 30.270 30.300 0.004 0.000 0.889 82 R HN 0.609 nan 8.270 nan 0.000 0.452 83 E N -0.280 119.540 120.200 -0.633 0.000 2.335 83 E HA 0.609 4.960 4.350 0.001 0.000 0.280 83 E C -1.726 174.519 176.600 -0.592 0.000 0.918 83 E CA -1.076 55.005 56.400 -0.531 0.000 0.765 83 E CB 2.185 31.574 29.700 -0.518 0.000 1.218 83 E HN 0.009 nan 8.360 nan 0.000 0.425 84 A N 3.040 125.666 122.820 -0.323 0.000 2.686 84 A HA 0.471 4.792 4.320 0.001 0.000 0.299 84 A C -1.379 176.229 177.584 0.039 0.000 1.151 84 A CA -0.625 51.328 52.037 -0.141 0.000 0.851 84 A CB -0.021 19.021 19.000 0.071 0.000 1.448 84 A HN 0.791 nan 8.150 nan 0.000 0.404 85 N N -0.484 118.240 118.700 0.040 0.000 2.571 85 N HA 0.755 5.496 4.740 0.001 0.000 0.273 85 N C -1.577 174.078 175.510 0.242 0.000 1.340 85 N CA -0.836 52.314 53.050 0.166 0.000 0.789 85 N CB 2.119 40.707 38.487 0.169 0.000 1.514 85 N HN 0.198 nan 8.380 nan 0.000 0.499 86 V N 0.471 120.549 119.914 0.274 0.000 2.531 86 V HA 0.413 4.534 4.120 0.001 0.000 0.301 86 V C -1.158 175.133 176.094 0.329 0.000 1.034 86 V CA -0.527 61.946 62.300 0.289 0.000 0.865 86 V CB 1.387 33.340 31.823 0.217 0.000 0.995 86 V HN 0.745 nan 8.190 nan 0.000 0.424 87 Q N 3.311 123.314 119.800 0.339 0.000 2.340 87 Q HA 0.724 5.065 4.340 0.001 0.000 0.268 87 Q C -0.068 176.087 176.000 0.258 0.000 1.031 87 Q CA -0.714 55.277 55.803 0.314 0.000 0.804 87 Q CB 2.617 31.500 28.738 0.242 0.000 1.286 87 Q HN 0.820 nan 8.270 nan 0.000 0.448 88 G N 2.850 111.734 108.800 0.139 0.000 2.502 88 G HA2 0.392 4.353 3.960 0.001 0.000 0.311 88 G HA3 0.392 4.353 3.960 0.001 0.000 0.311 88 G C -0.550 174.271 174.900 -0.132 0.000 1.270 88 G CA -0.665 44.343 45.100 -0.154 0.000 0.948 88 G HN 0.388 nan 8.290 nan 0.000 0.487 89 K N 2.231 122.562 120.400 -0.116 0.000 2.118 89 K HA 0.318 4.638 4.320 0.001 0.000 0.267 89 K C 0.090 176.637 176.600 -0.089 0.000 0.991 89 K CA -0.967 55.279 56.287 -0.068 0.000 0.916 89 K CB 1.271 33.752 32.500 -0.031 0.000 1.041 89 K HN 0.411 nan 8.250 nan 0.000 0.455 90 N N 0.599 119.259 118.700 -0.066 0.000 2.713 90 N HA -0.187 4.554 4.740 0.001 0.000 0.251 90 N C 0.569 176.028 175.510 -0.085 0.000 1.117 90 N CA 0.579 53.593 53.050 -0.059 0.000 0.770 90 N CB -1.084 37.383 38.487 -0.033 0.000 1.137 90 N HN 0.597 nan 8.380 nan 0.000 0.566 91 L N -0.064 121.077 121.223 -0.136 0.000 2.376 91 L HA 0.098 4.438 4.340 0.001 0.000 0.219 91 L C 0.881 177.654 176.870 -0.162 0.000 1.133 91 L CA 0.832 55.576 54.840 -0.159 0.000 0.816 91 L CB 0.014 41.925 42.059 -0.248 0.000 0.933 91 L HN 0.142 nan 8.230 nan 0.000 0.449 92 I N -0.244 120.211 120.570 -0.192 0.000 2.371 92 I HA 0.071 4.242 4.170 0.001 0.000 0.282 92 I C 0.930 176.902 176.117 -0.243 0.000 1.031 92 I CA -0.287 60.823 61.300 -0.317 0.000 1.180 92 I CB 1.299 39.017 38.000 -0.471 0.000 1.336 92 I HN 0.098 nan 8.210 nan 0.000 0.467 93 E N 4.569 124.670 120.200 -0.164 0.000 2.055 93 E HA -0.299 4.052 4.350 0.001 0.000 0.209 93 E C 1.658 178.296 176.600 0.064 0.000 1.036 93 E CA 2.561 58.945 56.400 -0.027 0.000 0.849 93 E CB -0.242 29.473 29.700 0.025 0.000 0.767 93 E HN 0.872 nan 8.360 nan 0.000 0.461 94 W N 1.942 123.248 121.300 0.011 0.000 2.304 94 W HA -0.156 4.505 4.660 0.001 0.000 0.315 94 W C 0.584 177.109 176.519 0.010 0.000 1.233 94 W CA 0.861 58.212 57.345 0.011 0.000 1.261 94 W CB -0.793 28.674 29.460 0.011 0.000 1.150 94 W HN -0.117 nan 8.180 nan 0.000 0.494 95 L N 3.781 125.144 121.223 0.233 0.000 2.321 95 L HA 0.384 4.724 4.340 0.001 0.000 0.272 95 L C -1.879 175.022 176.870 0.051 0.000 1.050 95 L CA -2.048 52.901 54.840 0.181 0.000 0.893 95 L CB 0.281 42.443 42.059 0.172 0.000 1.272 95 L HN -0.274 nan 8.230 nan 0.000 0.435 96 P HA 0.172 nan 4.420 nan 0.000 0.277 96 P C 0.779 178.085 177.300 0.010 0.000 1.240 96 P CA 0.254 63.366 63.100 0.020 0.000 0.798 96 P CB 1.765 33.483 31.700 0.030 0.000 0.979 97 G N 1.186 109.983 108.800 -0.005 0.000 2.184 97 G HA2 -0.233 3.727 3.960 0.001 0.000 0.264 97 G HA3 -0.233 3.727 3.960 0.001 0.000 0.264 97 G C 0.275 175.168 174.900 -0.011 0.000 0.975 97 G CA 0.478 45.571 45.100 -0.012 0.000 0.642 97 G HN 0.927 nan 8.290 nan 0.000 0.536 98 S N -0.425 115.272 115.700 -0.004 0.000 2.617 98 S HA 0.803 5.273 4.470 0.001 0.000 0.283 98 S C -0.072 174.533 174.600 0.009 0.000 1.189 98 S CA 0.369 58.576 58.200 0.011 0.000 1.036 98 S CB 2.351 65.566 63.200 0.025 0.000 1.014 98 S HN 0.570 nan 8.310 nan 0.000 0.522 99 T N 2.211 116.796 114.554 0.051 0.000 2.888 99 T HA 0.641 4.991 4.350 0.001 0.000 0.284 99 T C -0.079 174.719 174.700 0.164 0.000 1.017 99 T CA -0.708 61.444 62.100 0.087 0.000 1.022 99 T CB 0.816 69.753 68.868 0.116 0.000 1.013 99 T HN 0.810 nan 8.240 nan 0.000 0.465 100 I N -0.073 120.584 120.570 0.146 0.000 2.509 100 I HA 0.862 5.033 4.170 0.001 0.000 0.293 100 I C -1.118 175.144 176.117 0.241 0.000 1.020 100 I CA -0.983 60.397 61.300 0.132 0.000 1.088 100 I CB 1.833 39.837 38.000 0.006 0.000 1.267 100 I HN 0.742 nan 8.210 nan 0.000 0.430 101 W N 4.298 125.623 121.300 0.042 0.000 3.062 101 W HA 0.916 5.576 4.660 0.001 0.000 0.336 101 W C -1.756 174.785 176.519 0.037 0.000 1.224 101 W CA -1.593 55.787 57.345 0.059 0.000 1.159 101 W CB 1.241 30.747 29.460 0.077 0.000 1.454 101 W HN 0.864 nan 8.180 nan 0.000 0.569 102 A N 1.320 124.229 122.820 0.147 0.000 2.566 102 A HA 0.876 5.196 4.320 0.001 0.000 0.297 102 A C -0.245 177.441 177.584 0.170 0.000 1.059 102 A CA 0.021 52.035 52.037 -0.039 0.000 0.691 102 A CB 1.045 19.995 19.000 -0.083 0.000 1.282 102 A HN 2.314 nan 8.150 nan 0.000 0.401 103 G N 0.647 109.531 108.800 0.141 0.000 2.354 103 G HA2 0.219 4.180 3.960 0.001 0.000 0.582 103 G HA3 0.219 4.180 3.960 0.001 0.000 0.582 103 G C -1.125 173.892 174.900 0.194 0.000 1.316 103 G CA -0.862 44.334 45.100 0.160 0.000 0.995 103 G HN 0.824 nan 8.290 nan 0.000 0.573 104 K N 0.403 120.870 120.400 0.111 0.000 2.349 104 K HA 0.480 4.800 4.320 0.001 0.000 0.288 104 K C 0.491 177.117 176.600 0.044 0.000 1.058 104 K CA -0.024 56.306 56.287 0.071 0.000 0.953 104 K CB 1.106 33.601 32.500 -0.008 0.000 0.997 104 K HN 0.749 nan 8.250 nan 0.000 0.477 105 R N 2.748 123.304 120.500 0.094 0.000 2.566 105 R HA 0.228 4.569 4.340 0.001 0.000 0.271 105 R C -1.372 174.991 176.300 0.105 0.000 1.071 105 R CA -0.714 55.388 56.100 0.005 0.000 0.915 105 R CB 0.707 30.962 30.300 -0.074 0.000 1.228 105 R HN 0.195 nan 8.270 nan 0.000 0.449 106 F N 3.630 123.494 119.950 -0.143 0.000 2.541 106 F HA 0.156 4.684 4.527 0.001 0.000 0.378 106 F C -0.179 175.535 175.800 -0.143 0.000 1.068 106 F CA -0.124 57.792 58.000 -0.139 0.000 1.199 106 F CB 0.252 39.154 39.000 -0.164 0.000 1.091 106 F HN 0.432 nan 8.300 nan 0.000 0.555 107 Y N 4.068 124.299 120.300 -0.115 0.000 2.464 107 Y HA 0.282 4.833 4.550 0.001 0.000 0.326 107 Y C 0.122 175.875 175.900 -0.246 0.000 0.969 107 Y CA -0.850 57.099 58.100 -0.251 0.000 1.270 107 Y CB 0.307 38.614 38.460 -0.255 0.000 1.103 107 Y HN 0.716 nan 8.280 nan 0.000 0.491 108 Q N 4.664 124.134 119.800 -0.550 0.000 2.453 108 Q HA -0.249 4.092 4.340 0.001 0.000 0.330 108 Q C -0.560 175.247 176.000 -0.322 0.000 1.417 108 Q CA 0.634 56.108 55.803 -0.549 0.000 0.902 108 Q CB -0.832 27.410 28.738 -0.827 0.000 1.154 108 Q HN 0.741 nan 8.270 nan 0.000 0.395 109 R N 0.958 121.333 120.500 -0.208 0.000 2.539 109 R HA 0.364 4.704 4.340 0.001 0.000 0.275 109 R C -0.227 176.000 176.300 -0.122 0.000 1.077 109 R CA -0.116 55.924 56.100 -0.101 0.000 1.097 109 R CB 0.706 31.027 30.300 0.036 0.000 1.018 109 R HN 0.285 nan 8.270 nan 0.000 0.483 110 H N 1.512 120.322 119.070 -0.434 0.000 2.589 110 H HA 0.202 4.758 4.556 0.001 0.000 0.335 110 H C -0.615 174.141 175.328 -0.955 0.000 1.019 110 H CA -0.833 54.849 56.048 -0.610 0.000 1.213 110 H CB 1.784 31.157 29.762 -0.648 0.000 1.472 110 H HN 0.736 nan 8.280 nan 0.000 0.508 111 D N 1.557 121.590 120.400 -0.611 0.000 2.732 111 D HA 0.269 4.910 4.640 0.001 0.000 0.292 111 D C -0.756 175.487 176.300 -0.094 0.000 1.135 111 D CA -0.891 52.739 54.000 -0.617 0.000 1.071 111 D CB 2.015 42.017 40.800 -1.331 0.000 1.457 111 D HN 0.209 nan 8.370 nan 0.000 0.547 112 V N 1.343 121.227 119.914 -0.050 0.000 2.383 112 V HA 0.070 4.190 4.120 0.001 0.000 0.264 112 V C 1.038 177.203 176.094 0.118 0.000 1.001 112 V CA -0.505 61.801 62.300 0.009 0.000 0.828 112 V CB 0.197 31.973 31.823 -0.078 0.000 1.069 112 V HN 0.726 nan 8.190 nan 0.000 0.451 113 H N 4.515 123.672 119.070 0.144 0.000 2.278 113 H HA -0.330 4.227 4.556 0.001 0.000 0.287 113 H C 2.153 177.581 175.328 0.167 0.000 1.107 113 H CA 3.288 59.452 56.048 0.193 0.000 1.192 113 H CB 0.141 30.108 29.762 0.341 0.000 1.346 113 H HN 0.684 nan 8.280 nan 0.000 0.478 114 M N -0.141 119.565 119.600 0.177 0.000 2.446 114 M HA -0.021 4.460 4.480 0.001 0.000 0.263 114 M C 1.660 177.984 176.300 0.040 0.000 1.066 114 M CA 2.049 57.432 55.300 0.137 0.000 1.087 114 M CB -0.131 32.621 32.600 0.255 0.000 1.406 114 M HN 0.506 nan 8.290 nan 0.000 0.459 115 I N -3.352 117.199 120.570 -0.031 0.000 4.081 115 I HA 0.335 4.505 4.170 0.001 0.000 0.333 115 I C -0.273 175.836 176.117 -0.013 0.000 1.413 115 I CA -0.334 60.878 61.300 -0.146 0.000 1.110 115 I CB -0.103 37.716 38.000 -0.302 0.000 1.082 115 I HN 0.045 nan 8.210 nan 0.000 0.402 116 D N 2.433 122.828 120.400 -0.009 0.000 2.692 116 D HA -0.294 4.347 4.640 0.001 0.000 0.233 116 D C -0.766 175.643 176.300 0.182 0.000 1.172 116 D CA 0.801 54.821 54.000 0.032 0.000 0.636 116 D CB -1.097 39.696 40.800 -0.012 0.000 1.028 116 D HN 0.533 nan 8.370 nan 0.000 0.419 117 F N 1.665 121.612 119.950 -0.005 0.000 2.361 117 F HA 0.410 4.938 4.527 0.001 0.000 0.364 117 F C -0.976 174.867 175.800 0.071 0.000 1.117 117 F CA -1.076 56.964 58.000 0.066 0.000 1.071 117 F CB 0.509 39.534 39.000 0.042 0.000 1.188 117 F HN -0.124 nan 8.300 nan 0.000 0.464 118 Y N 7.041 127.065 120.300 -0.460 0.000 2.504 118 Y HA 0.109 4.659 4.550 0.001 0.000 0.351 118 Y C 0.465 175.981 175.900 -0.641 0.000 0.988 118 Y CA -0.247 57.572 58.100 -0.468 0.000 1.239 118 Y CB 0.100 38.351 38.460 -0.349 0.000 1.128 118 Y HN 0.647 nan 8.280 nan 0.000 0.525 119 Y N 0.021 120.042 120.300 -0.465 0.000 2.466 119 Y HA 0.243 4.793 4.550 0.001 0.000 0.272 119 Y C -0.344 175.541 175.900 -0.025 0.000 1.169 119 Y CA -0.880 57.012 58.100 -0.347 0.000 1.285 119 Y CB 0.285 38.615 38.460 -0.216 0.000 1.078 119 Y HN 0.456 nan 8.280 nan 0.000 0.523 120 W N 2.486 123.554 121.300 -0.387 0.000 2.783 120 W HA 0.408 5.068 4.660 0.001 0.000 0.304 120 W C -2.308 174.082 176.519 -0.215 0.000 1.056 120 W CA -1.687 55.485 57.345 -0.289 0.000 1.175 120 W CB 1.022 30.191 29.460 -0.484 0.000 1.029 120 W HN 0.101 nan 8.180 nan 0.000 0.331 121 D N 5.486 125.933 120.400 0.078 0.000 2.375 121 D HA 0.238 4.879 4.640 0.001 0.000 0.241 121 D C 0.018 176.293 176.300 -0.042 0.000 1.361 121 D CA -0.241 53.731 54.000 -0.046 0.000 0.995 121 D CB 0.551 41.314 40.800 -0.062 0.000 1.312 121 D HN 0.372 nan 8.370 nan 0.000 0.576 122 I N 0.603 121.153 120.570 -0.034 0.000 3.816 122 I HA 0.358 4.529 4.170 0.001 0.000 0.334 122 I C -0.236 175.863 176.117 -0.030 0.000 1.551 122 I CA -0.536 60.751 61.300 -0.022 0.000 1.153 122 I CB 0.186 38.192 38.000 0.009 0.000 1.197 122 I HN 0.011 nan 8.210 nan 0.000 0.439 123 S N 1.274 116.945 115.700 -0.049 0.000 2.576 123 S HA 0.747 5.218 4.470 0.001 0.000 0.272 123 S C 0.555 175.152 174.600 -0.005 0.000 1.352 123 S CA 0.159 58.357 58.200 -0.003 0.000 1.021 123 S CB 1.148 64.335 63.200 -0.022 0.000 0.887 123 S HN 0.826 nan 8.310 nan 0.000 0.542 124 G N 0.309 109.140 108.800 0.051 0.000 2.350 124 G HA2 0.339 4.300 3.960 0.001 0.000 0.276 124 G HA3 0.339 4.300 3.960 0.001 0.000 0.276 124 G C -3.640 171.297 174.900 0.060 0.000 1.313 124 G CA -1.065 44.054 45.100 0.033 0.000 0.903 124 G HN 0.544 nan 8.290 nan 0.000 0.490 125 P HA 0.538 nan 4.420 nan 0.000 0.272 125 P C 0.524 177.843 177.300 0.031 0.000 1.223 125 P CA 1.195 64.320 63.100 0.041 0.000 0.784 125 P CB 1.350 33.054 31.700 0.007 0.000 0.923 126 G N -0.404 108.412 108.800 0.026 0.000 2.323 126 G HA2 0.592 4.553 3.960 0.001 0.000 0.291 126 G HA3 0.592 4.553 3.960 0.001 0.000 0.291 126 G C -2.161 172.503 174.900 -0.393 0.000 1.278 126 G CA 0.107 45.144 45.100 -0.104 0.000 0.860 126 G HN 0.596 nan 8.290 nan 0.000 0.504 127 A N -1.867 120.472 122.820 -0.803 0.000 2.608 127 A HA 1.132 5.452 4.320 0.001 0.000 0.292 127 A C -0.168 176.605 177.584 -1.351 0.000 1.066 127 A CA 0.411 51.670 52.037 -1.297 0.000 0.676 127 A CB 1.413 20.046 19.000 -0.611 0.000 1.277 127 A HN 2.656 nan 8.150 nan 0.000 0.413 128 G N -1.067 106.819 108.800 -1.522 0.000 2.466 128 G HA2 0.614 4.575 3.960 0.001 0.000 0.291 128 G HA3 0.614 4.575 3.960 0.001 0.000 0.291 128 G C -2.322 172.447 174.900 -0.218 0.000 1.460 128 G CA -0.490 44.250 45.100 -0.601 0.000 0.791 128 G HN 1.656 nan 8.290 nan 0.000 0.505 129 L N 1.030 122.287 121.223 0.056 0.000 2.283 129 L HA 0.624 4.965 4.340 0.001 0.000 0.281 129 L C 0.154 177.157 176.870 0.222 0.000 1.033 129 L CA -0.755 54.158 54.840 0.121 0.000 0.848 129 L CB 0.797 42.898 42.059 0.069 0.000 1.226 129 L HN 0.630 nan 8.230 nan 0.000 0.429 130 E N 3.960 124.334 120.200 0.290 0.000 2.231 130 E HA 0.278 4.628 4.350 0.001 0.000 0.277 130 E C -0.234 176.436 176.600 0.117 0.000 0.999 130 E CA -0.445 56.103 56.400 0.246 0.000 0.827 130 E CB 0.634 30.496 29.700 0.270 0.000 1.101 130 E HN 0.609 nan 8.360 nan 0.000 0.393 131 N N 2.516 121.261 118.700 0.076 0.000 2.756 131 N HA -0.193 4.548 4.740 0.001 0.000 0.248 131 N C -0.886 174.638 175.510 0.023 0.000 1.062 131 N CA 0.665 53.729 53.050 0.024 0.000 0.696 131 N CB -1.164 37.318 38.487 -0.008 0.000 0.946 131 N HN 0.525 nan 8.380 nan 0.000 0.548 132 I N 0.342 120.935 120.570 0.038 0.000 2.529 132 I HA 0.013 4.184 4.170 0.001 0.000 0.284 132 I C 0.946 177.062 176.117 -0.002 0.000 1.082 132 I CA -0.106 61.216 61.300 0.036 0.000 1.406 132 I CB 0.609 38.645 38.000 0.060 0.000 1.405 132 I HN -0.006 nan 8.210 nan 0.000 0.548 133 D N 6.373 126.770 120.400 -0.005 0.000 2.365 133 D HA 0.132 4.772 4.640 0.001 0.000 0.237 133 D C 0.324 176.583 176.300 -0.067 0.000 1.190 133 D CA -0.169 53.806 54.000 -0.041 0.000 0.867 133 D CB 1.289 42.077 40.800 -0.019 0.000 1.050 133 D HN 0.192 nan 8.370 nan 0.000 0.491 134 V N 3.811 123.621 119.914 -0.173 0.000 3.415 134 V HA 0.279 4.400 4.120 0.001 0.000 0.325 134 V C 1.832 177.745 176.094 -0.302 0.000 1.313 134 V CA 0.426 62.572 62.300 -0.257 0.000 1.228 134 V CB -0.347 31.219 31.823 -0.428 0.000 1.131 134 V HN 0.863 nan 8.190 nan 0.000 0.433 135 G N 2.128 110.846 108.800 -0.137 0.000 5.155 135 G HA2 -0.433 3.528 3.960 0.001 0.000 0.239 135 G HA3 -0.433 3.528 3.960 0.001 0.000 0.239 135 G C 0.696 175.623 174.900 0.044 0.000 1.409 135 G CA 0.782 45.888 45.100 0.011 0.000 0.927 135 G HN 0.653 nan 8.290 nan 0.000 0.710 136 F N 1.793 121.764 119.950 0.035 0.000 2.661 136 F HA 0.544 5.072 4.527 0.001 0.000 0.298 136 F C 1.224 177.048 175.800 0.039 0.000 1.137 136 F CA 0.410 58.431 58.000 0.035 0.000 1.454 136 F CB -0.492 38.530 39.000 0.037 0.000 1.103 136 F HN 1.030 nan 8.300 nan 0.000 0.577 137 G N -0.165 108.400 108.800 -0.392 0.000 2.441 137 G HA2 0.435 4.395 3.960 0.001 0.000 0.294 137 G HA3 0.435 4.395 3.960 0.001 0.000 0.294 137 G C -2.006 172.730 174.900 -0.274 0.000 1.393 137 G CA -1.381 43.576 45.100 -0.238 0.000 0.796 137 G HN -0.014 nan 8.290 nan 0.000 0.494 138 K N -0.292 120.025 120.400 -0.137 0.000 2.183 138 K HA 0.663 4.984 4.320 0.001 0.000 0.274 138 K C -0.699 175.869 176.600 -0.052 0.000 1.009 138 K CA -0.424 55.808 56.287 -0.091 0.000 0.888 138 K CB 1.775 34.244 32.500 -0.053 0.000 1.078 138 K HN 0.471 nan 8.250 nan 0.000 0.459 139 L N 2.077 123.280 121.223 -0.034 0.000 2.325 139 L HA 0.518 4.859 4.340 0.001 0.000 0.281 139 L C -1.169 175.744 176.870 0.072 0.000 1.004 139 L CA 0.094 54.950 54.840 0.027 0.000 0.823 139 L CB 1.572 43.641 42.059 0.017 0.000 1.236 139 L HN 0.544 nan 8.230 nan 0.000 0.415 140 S N 5.581 121.350 115.700 0.116 0.000 2.537 140 S HA 0.774 5.245 4.470 0.001 0.000 0.301 140 S C -0.754 173.971 174.600 0.208 0.000 1.092 140 S CA -0.675 57.628 58.200 0.172 0.000 1.048 140 S CB 1.661 64.979 63.200 0.197 0.000 1.053 140 S HN 0.560 nan 8.310 nan 0.000 0.501 141 L N 1.721 123.072 121.223 0.214 0.000 2.385 141 L HA 0.893 5.234 4.340 0.001 0.000 0.273 141 L C -0.349 176.613 176.870 0.153 0.000 0.990 141 L CA -0.622 54.324 54.840 0.177 0.000 0.821 141 L CB 1.822 43.958 42.059 0.127 0.000 1.279 141 L HN 0.822 nan 8.230 nan 0.000 0.412 142 A N 2.450 125.329 122.820 0.098 0.000 2.606 142 A HA 0.952 5.273 4.320 0.001 0.000 0.293 142 A C -1.550 176.021 177.584 -0.022 0.000 1.082 142 A CA -0.435 51.579 52.037 -0.037 0.000 0.685 142 A CB 2.052 20.910 19.000 -0.237 0.000 1.284 142 A HN 0.758 nan 8.150 nan 0.000 0.408 143 A N 0.944 123.700 122.820 -0.106 0.000 2.357 143 A HA 0.818 5.139 4.320 0.001 0.000 0.295 143 A C -0.100 177.376 177.584 -0.181 0.000 1.121 143 A CA 0.208 52.184 52.037 -0.103 0.000 0.742 143 A CB 0.713 19.719 19.000 0.011 0.000 1.181 143 A HN 1.981 nan 8.150 nan 0.000 0.454 144 T N -0.338 114.092 114.554 -0.206 0.000 2.926 144 T HA 0.837 5.188 4.350 0.001 0.000 0.289 144 T C -0.197 174.388 174.700 -0.193 0.000 1.054 144 T CA -0.833 61.177 62.100 -0.149 0.000 1.015 144 T CB 1.702 70.518 68.868 -0.088 0.000 1.167 144 T HN 0.865 nan 8.240 nan 0.000 0.526 145 R N -0.106 120.314 120.500 -0.134 0.000 2.807 145 R HA 0.742 5.083 4.340 0.001 0.000 0.276 145 R C -1.087 175.150 176.300 -0.106 0.000 0.979 145 R CA -0.499 55.519 56.100 -0.137 0.000 0.928 145 R CB 1.871 32.104 30.300 -0.111 0.000 1.191 145 R HN 1.068 nan 8.270 nan 0.000 0.471 146 S N 0.500 116.132 115.700 -0.112 0.000 2.638 146 S HA 0.674 5.145 4.470 0.001 0.000 0.274 146 S C -1.295 173.253 174.600 -0.087 0.000 1.157 146 S CA -0.737 57.408 58.200 -0.092 0.000 0.826 146 S CB 1.744 64.885 63.200 -0.098 0.000 1.139 146 S HN 0.723 nan 8.310 nan 0.000 0.474 147 S N 0.167 115.825 115.700 -0.071 0.000 2.603 147 S HA 0.436 4.906 4.470 0.001 0.000 0.274 147 S C -1.241 173.330 174.600 -0.049 0.000 1.168 147 S CA -0.789 57.373 58.200 -0.063 0.000 0.963 147 S CB 0.985 64.149 63.200 -0.060 0.000 1.078 147 S HN 0.851 nan 8.310 nan 0.000 0.477 148 E N 3.071 123.248 120.200 -0.038 0.000 2.301 148 E HA 0.572 4.923 4.350 0.001 0.000 0.275 148 E C 1.377 177.980 176.600 0.004 0.000 1.030 148 E CA -0.564 55.827 56.400 -0.015 0.000 0.852 148 E CB 1.149 30.843 29.700 -0.009 0.000 1.060 148 E HN 0.713 nan 8.360 nan 0.000 0.401 149 A N 3.315 126.143 122.820 0.013 0.000 1.971 149 A HA -0.107 4.214 4.320 0.001 0.000 0.222 149 A C 1.091 178.660 177.584 -0.025 0.000 1.182 149 A CA 1.902 53.926 52.037 -0.022 0.000 0.649 149 A CB -0.615 18.356 19.000 -0.048 0.000 0.818 149 A HN 0.803 nan 8.150 nan 0.000 0.458 150 G N -5.969 102.917 108.800 0.143 0.000 2.608 150 G HA2 0.579 4.539 3.960 0.001 0.000 0.291 150 G HA3 0.579 4.539 3.960 0.001 0.000 0.291 150 G C 0.179 175.242 174.900 0.271 0.000 1.425 150 G CA 0.290 45.521 45.100 0.218 0.000 0.787 150 G HN 1.444 nan 8.290 nan 0.000 0.484 151 G N -1.301 107.632 108.800 0.223 0.000 3.288 151 G HA2 0.257 4.217 3.960 0.001 0.000 0.219 151 G HA3 0.257 4.217 3.960 0.001 0.000 0.219 151 G C 0.093 175.063 174.900 0.117 0.000 0.944 151 G CA 0.810 46.006 45.100 0.160 0.000 0.854 151 G HN 1.184 nan 8.290 nan 0.000 0.632 152 S N -0.302 115.418 115.700 0.034 0.000 2.600 152 S HA 0.839 5.309 4.470 0.001 0.000 0.300 152 S C -0.510 173.891 174.600 -0.331 0.000 1.087 152 S CA -0.265 57.884 58.200 -0.084 0.000 0.965 152 S CB 2.100 65.351 63.200 0.085 0.000 1.089 152 S HN 0.537 nan 8.310 nan 0.000 0.496 153 S N 0.545 115.860 115.700 -0.640 0.000 2.513 153 S HA 0.407 4.878 4.470 0.001 0.000 0.299 153 S C 1.166 175.260 174.600 -0.845 0.000 1.087 153 S CA -0.390 57.285 58.200 -0.876 0.000 1.012 153 S CB 1.240 63.579 63.200 -1.434 0.000 1.044 153 S HN 0.784 nan 8.310 nan 0.000 0.485 154 S N 3.593 118.762 115.700 -0.884 0.000 2.382 154 S HA 0.063 4.534 4.470 0.001 0.000 0.228 154 S C 0.504 174.796 174.600 -0.513 0.000 1.027 154 S CA 0.687 58.308 58.200 -0.965 0.000 0.991 154 S CB -0.680 62.235 63.200 -0.474 0.000 0.823 154 S HN 0.762 nan 8.310 nan 0.000 0.469 155 F N -0.201 119.559 119.950 -0.316 0.000 2.679 155 F HA 0.906 5.433 4.527 0.001 0.000 0.341 155 F C -0.380 175.345 175.800 -0.125 0.000 1.095 155 F CA -1.782 56.113 58.000 -0.174 0.000 1.004 155 F CB 0.919 39.857 39.000 -0.104 0.000 1.388 155 F HN 0.044 nan 8.300 nan 0.000 0.505 156 A N 1.707 124.700 122.820 0.288 0.000 2.316 156 A HA 0.605 4.926 4.320 0.001 0.000 0.311 156 A C -0.134 177.703 177.584 0.422 0.000 1.339 156 A CA 0.076 52.234 52.037 0.201 0.000 0.960 156 A CB -0.977 18.116 19.000 0.155 0.000 1.152 156 A HN 0.999 nan 8.150 nan 0.000 0.547 157 S N 1.909 117.790 115.700 0.303 0.000 2.739 157 S HA 0.495 4.966 4.470 0.001 0.000 0.306 157 S C 0.309 175.071 174.600 0.271 0.000 1.115 157 S CA -0.808 57.661 58.200 0.448 0.000 0.985 157 S CB 1.288 64.786 63.200 0.497 0.000 1.133 157 S HN 0.535 nan 8.310 nan 0.000 0.541 158 N N 0.111 118.928 118.700 0.195 0.000 2.197 158 N HA 0.158 4.899 4.740 0.001 0.000 0.201 158 N C -0.652 174.879 175.510 0.035 0.000 1.148 158 N CA 0.015 53.112 53.050 0.077 0.000 0.883 158 N CB 0.081 38.610 38.487 0.069 0.000 1.012 158 N HN 0.673 nan 8.380 nan 0.000 0.507 159 N N 1.476 120.249 118.700 0.122 0.000 2.414 159 N HA 0.168 4.909 4.740 0.001 0.000 0.256 159 N C 1.022 176.555 175.510 0.038 0.000 1.029 159 N CA -0.157 52.976 53.050 0.139 0.000 0.948 159 N CB 1.215 39.856 38.487 0.258 0.000 1.102 159 N HN 0.029 nan 8.380 nan 0.000 0.496 160 I N 3.758 124.246 120.570 -0.136 0.000 2.567 160 I HA -0.257 3.914 4.170 0.001 0.000 0.257 160 I C 0.651 176.699 176.117 -0.116 0.000 1.184 160 I CA 1.153 62.244 61.300 -0.349 0.000 1.451 160 I CB 0.030 37.769 38.000 -0.435 0.000 1.089 160 I HN 0.691 nan 8.210 nan 0.000 0.441 161 Y N -0.060 120.291 120.300 0.086 0.000 2.632 161 Y HA -0.130 4.421 4.550 0.001 0.000 0.301 161 Y C 1.776 177.813 175.900 0.228 0.000 1.172 161 Y CA 0.403 58.613 58.100 0.183 0.000 1.328 161 Y CB -0.355 38.228 38.460 0.206 0.000 1.016 161 Y HN 0.193 nan 8.280 nan 0.000 0.529 162 D N -1.629 119.007 120.400 0.394 0.000 2.360 162 D HA -0.027 4.614 4.640 0.001 0.000 0.210 162 D C -0.329 176.061 176.300 0.150 0.000 1.047 162 D CA 0.400 54.561 54.000 0.268 0.000 0.854 162 D CB 0.095 40.986 40.800 0.151 0.000 0.936 162 D HN 0.255 nan 8.370 nan 0.000 0.514 163 Y N 1.172 121.469 120.300 -0.005 0.000 2.767 163 Y HA 0.154 4.704 4.550 0.001 0.000 0.354 163 Y C 1.356 177.350 175.900 0.157 0.000 1.292 163 Y CA -0.450 57.651 58.100 0.002 0.000 1.749 163 Y CB -0.243 38.183 38.460 -0.055 0.000 1.841 163 Y HN -0.172 nan 8.280 nan 0.000 0.454 164 T N -4.026 110.664 114.554 0.226 0.000 3.084 164 T HA 0.202 4.553 4.350 0.001 0.000 0.270 164 T C 0.235 175.001 174.700 0.110 0.000 1.008 164 T CA -0.462 61.803 62.100 0.274 0.000 0.900 164 T CB -0.045 68.943 68.868 0.199 0.000 1.084 164 T HN 0.189 nan 8.240 nan 0.000 0.538 165 N N 2.951 121.703 118.700 0.087 0.000 2.514 165 N HA 0.147 4.888 4.740 0.001 0.000 0.277 165 N C -0.193 175.345 175.510 0.047 0.000 1.126 165 N CA -0.217 52.874 53.050 0.068 0.000 0.978 165 N CB 1.472 40.047 38.487 0.146 0.000 1.106 165 N HN 0.538 nan 8.380 nan 0.000 0.461 166 E N 0.772 120.973 120.200 0.002 0.000 2.502 166 E HA -0.067 4.283 4.350 0.001 0.000 0.261 166 E C -0.528 176.057 176.600 -0.025 0.000 0.974 166 E CA 0.452 56.842 56.400 -0.017 0.000 0.936 166 E CB 0.549 30.223 29.700 -0.043 0.000 0.926 166 E HN 0.390 nan 8.360 nan 0.000 0.459 167 T N 2.827 117.369 114.554 -0.019 0.000 2.815 167 T HA 0.583 4.934 4.350 0.001 0.000 0.289 167 T C -0.646 174.022 174.700 -0.054 0.000 1.000 167 T CA -0.407 61.671 62.100 -0.035 0.000 0.958 167 T CB 0.914 69.777 68.868 -0.008 0.000 0.944 167 T HN 0.522 nan 8.240 nan 0.000 0.442 168 A N 4.845 127.621 122.820 -0.072 0.000 2.388 168 A HA 0.681 5.001 4.320 0.001 0.000 0.257 168 A C -0.038 177.491 177.584 -0.092 0.000 1.095 168 A CA -0.497 51.491 52.037 -0.082 0.000 0.791 168 A CB 0.055 19.003 19.000 -0.086 0.000 1.029 168 A HN 0.879 nan 8.150 nan 0.000 0.489 169 N N 0.999 119.631 118.700 -0.113 0.000 2.295 169 N HA 0.484 5.225 4.740 0.001 0.000 0.293 169 N C -1.742 173.646 175.510 -0.204 0.000 1.040 169 N CA -0.557 52.404 53.050 -0.149 0.000 0.840 169 N CB 1.776 40.173 38.487 -0.151 0.000 1.468 169 N HN 0.566 nan 8.380 nan 0.000 0.478 170 D N 0.357 120.594 120.400 -0.272 0.000 2.228 170 D HA 0.552 5.193 4.640 0.001 0.000 0.247 170 D C -0.485 175.427 176.300 -0.646 0.000 0.995 170 D CA -0.315 53.417 54.000 -0.447 0.000 0.903 170 D CB 1.963 42.476 40.800 -0.477 0.000 1.205 170 D HN 0.061 nan 8.370 nan 0.000 0.459 171 V N 1.021 120.479 119.914 -0.760 0.000 2.656 171 V HA 0.501 4.621 4.120 0.001 0.000 0.307 171 V C -0.931 174.694 176.094 -0.782 0.000 1.051 171 V CA -0.889 61.029 62.300 -0.638 0.000 0.893 171 V CB 1.472 33.103 31.823 -0.319 0.000 0.999 171 V HN 0.316 nan 8.190 nan 0.000 0.426 172 F N 2.149 122.077 119.950 -0.035 0.000 2.477 172 F HA 0.576 5.104 4.527 0.001 0.000 0.335 172 F C 0.051 175.886 175.800 0.059 0.000 1.130 172 F CA -0.624 57.389 58.000 0.022 0.000 0.948 172 F CB 1.603 40.644 39.000 0.068 0.000 1.154 172 F HN 0.511 nan 8.300 nan 0.000 0.439 173 D N 2.510 123.052 120.400 0.237 0.000 2.481 173 D HA 0.671 5.312 4.640 0.001 0.000 0.244 173 D C -1.631 174.820 176.300 0.253 0.000 1.057 173 D CA -0.330 53.810 54.000 0.234 0.000 0.848 173 D CB 2.714 43.622 40.800 0.181 0.000 1.388 173 D HN 0.345 nan 8.370 nan 0.000 0.475 174 V N 3.722 123.809 119.914 0.288 0.000 2.612 174 V HA 0.479 4.599 4.120 0.001 0.000 0.301 174 V C -0.485 175.791 176.094 0.304 0.000 1.059 174 V CA -0.696 61.765 62.300 0.267 0.000 0.886 174 V CB 1.996 33.966 31.823 0.245 0.000 1.007 174 V HN 0.518 nan 8.190 nan 0.000 0.426 175 R N 3.566 124.229 120.500 0.272 0.000 2.807 175 R HA 0.799 5.140 4.340 0.001 0.000 0.276 175 R C -1.644 174.779 176.300 0.205 0.000 0.979 175 R CA -0.826 55.446 56.100 0.288 0.000 0.928 175 R CB 2.345 32.817 30.300 0.286 0.000 1.191 175 R HN 0.471 nan 8.270 nan 0.000 0.471 176 L N 1.652 122.998 121.223 0.206 0.000 2.406 176 L HA 0.808 5.149 4.340 0.001 0.000 0.270 176 L C -1.236 175.722 176.870 0.146 0.000 0.982 176 L CA -0.234 54.692 54.840 0.143 0.000 0.843 176 L CB 1.306 43.466 42.059 0.169 0.000 1.225 176 L HN 0.861 nan 8.230 nan 0.000 0.412 177 A N 2.990 125.863 122.820 0.088 0.000 2.475 177 A HA 0.695 5.015 4.320 0.001 0.000 0.281 177 A C -0.098 177.513 177.584 0.045 0.000 1.263 177 A CA -0.281 51.809 52.037 0.089 0.000 0.776 177 A CB 1.032 20.081 19.000 0.082 0.000 1.347 177 A HN 0.668 nan 8.150 nan 0.000 0.443 178 Q N -1.314 118.510 119.800 0.041 0.000 2.481 178 Q HA -0.185 4.155 4.340 0.001 0.000 0.272 178 Q C -0.719 175.308 176.000 0.046 0.000 1.157 178 Q CA 1.049 56.864 55.803 0.019 0.000 0.935 178 Q CB -1.494 27.236 28.738 -0.014 0.000 1.338 178 Q HN 0.665 nan 8.270 nan 0.000 0.494 179 M N 0.634 120.287 119.600 0.088 0.000 2.146 179 M HA 0.142 4.623 4.480 0.001 0.000 0.357 179 M C 0.144 176.508 176.300 0.106 0.000 1.261 179 M CA 0.266 55.644 55.300 0.131 0.000 1.106 179 M CB 0.752 33.465 32.600 0.189 0.000 1.612 179 M HN -0.051 nan 8.290 nan 0.000 0.470 180 E N 3.125 123.384 120.200 0.097 0.000 1.979 180 E HA 0.100 4.451 4.350 0.001 0.000 0.285 180 E C 0.778 177.435 176.600 0.094 0.000 1.188 180 E CA -0.110 56.337 56.400 0.079 0.000 1.214 180 E CB -0.172 29.564 29.700 0.060 0.000 1.210 180 E HN 0.545 nan 8.360 nan 0.000 0.477 181 I N 1.176 121.818 120.570 0.120 0.000 2.248 181 I HA -0.233 3.938 4.170 0.001 0.000 0.248 181 I C 1.084 177.264 176.117 0.106 0.000 1.107 181 I CA 1.460 62.833 61.300 0.121 0.000 1.373 181 I CB -1.117 36.980 38.000 0.161 0.000 1.055 181 I HN 0.504 nan 8.210 nan 0.000 0.418 182 N N 1.162 119.938 118.700 0.126 0.000 3.102 182 N HA 0.300 5.041 4.740 0.001 0.000 0.299 182 N C -3.096 172.465 175.510 0.084 0.000 1.482 182 N CA -1.204 51.908 53.050 0.102 0.000 0.785 182 N CB 2.052 40.613 38.487 0.122 0.000 1.680 182 N HN -0.203 nan 8.380 nan 0.000 0.594 183 P HA 0.219 nan 4.420 nan 0.000 0.287 183 P C 0.526 177.862 177.300 0.059 0.000 1.307 183 P CA 0.583 63.715 63.100 0.053 0.000 0.777 183 P CB 0.607 32.332 31.700 0.041 0.000 0.883 184 G N 2.480 111.308 108.800 0.048 0.000 2.232 184 G HA2 -0.133 3.827 3.960 0.001 0.000 0.226 184 G HA3 -0.133 3.827 3.960 0.001 0.000 0.226 184 G C 0.340 175.258 174.900 0.030 0.000 0.996 184 G CA -0.185 44.942 45.100 0.045 0.000 0.626 184 G HN 0.890 nan 8.290 nan 0.000 0.509 185 G N -0.556 108.267 108.800 0.039 0.000 2.454 185 G HA2 0.809 4.770 3.960 0.001 0.000 0.329 185 G HA3 0.809 4.770 3.960 0.001 0.000 0.329 185 G C -0.388 174.460 174.900 -0.086 0.000 1.177 185 G CA 0.574 45.627 45.100 -0.078 0.000 0.951 185 G HN 0.967 nan 8.290 nan 0.000 0.485 186 T N -1.180 113.234 114.554 -0.233 0.000 2.883 186 T HA 0.651 5.002 4.350 0.001 0.000 0.296 186 T C -1.239 173.446 174.700 -0.025 0.000 1.117 186 T CA -0.629 61.430 62.100 -0.069 0.000 1.006 186 T CB 2.050 70.888 68.868 -0.050 0.000 1.191 186 T HN 0.584 nan 8.240 nan 0.000 0.508 187 L N 1.034 122.316 121.223 0.097 0.000 2.409 187 L HA 0.691 5.031 4.340 0.001 0.000 0.272 187 L C -0.847 176.129 176.870 0.177 0.000 0.980 187 L CA -0.398 54.546 54.840 0.173 0.000 0.826 187 L CB 1.906 44.088 42.059 0.206 0.000 1.268 187 L HN 0.870 nan 8.230 nan 0.000 0.407 188 E N 3.813 124.144 120.200 0.218 0.000 2.212 188 E HA 0.648 4.998 4.350 0.001 0.000 0.268 188 E C -1.858 174.903 176.600 0.268 0.000 0.902 188 E CA -0.734 55.819 56.400 0.256 0.000 0.779 188 E CB 1.532 31.433 29.700 0.335 0.000 1.172 188 E HN 0.530 nan 8.360 nan 0.000 0.409 189 L N 2.524 123.908 121.223 0.269 0.000 2.408 189 L HA 0.758 5.099 4.340 0.001 0.000 0.268 189 L C -0.208 176.845 176.870 0.305 0.000 0.986 189 L CA -0.374 54.609 54.840 0.239 0.000 0.820 189 L CB 2.027 44.208 42.059 0.203 0.000 1.303 189 L HN 0.656 nan 8.230 nan 0.000 0.411 190 G N 1.563 110.522 108.800 0.266 0.000 2.706 190 G HA2 0.657 4.618 3.960 0.001 0.000 0.297 190 G HA3 0.657 4.618 3.960 0.001 0.000 0.297 190 G C -2.088 172.997 174.900 0.308 0.000 1.403 190 G CA -0.464 44.857 45.100 0.369 0.000 0.954 190 G HN 0.303 nan 8.290 nan 0.000 0.500 191 V N 1.575 121.705 119.914 0.361 0.000 2.588 191 V HA 0.511 4.632 4.120 0.001 0.000 0.304 191 V C -1.240 175.034 176.094 0.300 0.000 1.042 191 V CA -0.806 61.715 62.300 0.367 0.000 0.877 191 V CB 2.053 34.168 31.823 0.486 0.000 0.996 191 V HN 0.716 nan 8.190 nan 0.000 0.425 192 D N 3.255 123.757 120.400 0.170 0.000 2.502 192 D HA 0.349 4.990 4.640 0.001 0.000 0.249 192 D C -1.508 174.734 176.300 -0.096 0.000 1.092 192 D CA -0.152 53.900 54.000 0.087 0.000 0.839 192 D CB 2.452 43.290 40.800 0.063 0.000 1.264 192 D HN 0.528 nan 8.370 nan 0.000 0.511 193 Y N 1.402 121.543 120.300 -0.265 0.000 2.332 193 Y HA 0.530 5.080 4.550 0.001 0.000 0.326 193 Y C -0.415 175.302 175.900 -0.305 0.000 0.978 193 Y CA -0.658 57.079 58.100 -0.605 0.000 1.205 193 Y CB 1.422 39.419 38.460 -0.772 0.000 1.131 193 Y HN 0.372 nan 8.280 nan 0.000 0.462 194 G N 5.487 113.643 108.800 -1.074 0.000 2.473 194 G HA2 0.744 4.705 3.960 0.001 0.000 0.321 194 G HA3 0.744 4.705 3.960 0.001 0.000 0.321 194 G C -1.693 172.689 174.900 -0.862 0.000 1.200 194 G CA -1.306 43.316 45.100 -0.798 0.000 0.963 194 G HN 0.876 nan 8.290 nan 0.000 0.483 195 R N -0.538 119.662 120.500 -0.500 0.000 2.604 195 R HA 0.666 5.006 4.340 0.001 0.000 0.261 195 R C -0.755 175.447 176.300 -0.164 0.000 1.080 195 R CA -0.830 55.091 56.100 -0.299 0.000 0.917 195 R CB 1.095 31.291 30.300 -0.174 0.000 1.252 195 R HN 0.863 nan 8.270 nan 0.000 0.456 196 A N 2.238 124.994 122.820 -0.107 0.000 2.450 196 A HA 0.211 4.532 4.320 0.001 0.000 0.255 196 A C -0.453 177.105 177.584 -0.043 0.000 1.096 196 A CA -0.352 51.640 52.037 -0.075 0.000 0.778 196 A CB 0.222 19.191 19.000 -0.052 0.000 1.031 196 A HN 0.700 nan 8.150 nan 0.000 0.494 197 N N 3.181 121.852 118.700 -0.048 0.000 2.609 197 N HA 0.342 5.083 4.740 0.001 0.000 0.234 197 N C -1.029 174.456 175.510 -0.043 0.000 1.001 197 N CA -0.251 52.783 53.050 -0.027 0.000 0.926 197 N CB -0.018 38.451 38.487 -0.029 0.000 1.130 197 N HN 0.540 nan 8.380 nan 0.000 0.510 198 L N 2.198 123.406 121.223 -0.026 0.000 2.380 198 L HA 0.345 4.686 4.340 0.001 0.000 0.273 198 L C 1.452 178.279 176.870 -0.073 0.000 1.138 198 L CA -0.462 54.355 54.840 -0.039 0.000 0.832 198 L CB 0.595 42.661 42.059 0.011 0.000 1.124 198 L HN 0.343 nan 8.230 nan 0.000 0.454 199 R N 1.039 121.428 120.500 -0.185 0.000 2.784 199 R HA -0.030 4.311 4.340 0.001 0.000 0.266 199 R C -0.228 176.023 176.300 -0.083 0.000 1.044 199 R CA -0.436 55.506 56.100 -0.263 0.000 1.151 199 R CB 0.350 30.218 30.300 -0.720 0.000 1.037 199 R HN 0.529 nan 8.270 nan 0.000 0.478 200 D N 1.693 122.072 120.400 -0.034 0.000 2.487 200 D HA -0.069 4.571 4.640 0.001 0.000 0.243 200 D C 0.173 176.571 176.300 0.163 0.000 1.154 200 D CA 0.976 55.007 54.000 0.050 0.000 0.876 200 D CB 0.331 41.153 40.800 0.036 0.000 1.161 200 D HN 0.555 nan 8.370 nan 0.000 0.478 201 N N 1.318 120.111 118.700 0.155 0.000 2.896 201 N HA -0.236 4.505 4.740 0.001 0.000 0.198 201 N C -0.576 175.040 175.510 0.177 0.000 1.061 201 N CA 0.783 53.928 53.050 0.159 0.000 1.096 201 N CB -1.171 37.397 38.487 0.136 0.000 0.963 201 N HN 0.390 nan 8.380 nan 0.000 0.570 202 Y N 1.429 121.699 120.300 -0.049 0.000 2.426 202 Y HA 0.351 4.902 4.550 0.001 0.000 0.344 202 Y C 1.447 177.292 175.900 -0.092 0.000 1.256 202 Y CA 0.515 58.558 58.100 -0.095 0.000 1.451 202 Y CB 0.423 38.819 38.460 -0.106 0.000 1.342 202 Y HN -0.054 nan 8.280 nan 0.000 0.600 203 R N 1.047 121.525 120.500 -0.036 0.000 2.795 203 R HA 0.583 4.923 4.340 0.001 0.000 0.275 203 R C -1.178 175.093 176.300 -0.048 0.000 0.981 203 R CA -0.939 55.139 56.100 -0.036 0.000 0.917 203 R CB 1.984 32.254 30.300 -0.049 0.000 1.202 203 R HN 0.550 nan 8.270 nan 0.000 0.469 204 L N 1.195 122.456 121.223 0.063 0.000 2.416 204 L HA 0.447 4.788 4.340 0.001 0.000 0.263 204 L C 0.539 177.598 176.870 0.315 0.000 1.065 204 L CA -0.979 53.951 54.840 0.150 0.000 0.798 204 L CB 1.285 43.395 42.059 0.085 0.000 1.267 204 L HN 0.303 nan 8.230 nan 0.000 0.467 205 V N 0.105 120.198 119.914 0.299 0.000 3.432 205 V HA -0.075 4.046 4.120 0.001 0.000 0.304 205 V C -0.092 176.011 176.094 0.014 0.000 1.107 205 V CA 0.110 62.435 62.300 0.042 0.000 1.153 205 V CB 1.051 32.752 31.823 -0.204 0.000 1.072 205 V HN 0.656 nan 8.190 nan 0.000 0.485 206 D N 1.056 121.429 120.400 -0.044 0.000 2.308 206 D HA 0.471 5.112 4.640 0.001 0.000 0.251 206 D C 0.812 177.090 176.300 -0.037 0.000 1.127 206 D CA 1.392 55.380 54.000 -0.020 0.000 0.876 206 D CB 0.989 41.774 40.800 -0.024 0.000 1.176 206 D HN 0.863 nan 8.370 nan 0.000 0.446 207 G N 2.230 111.020 108.800 -0.017 0.000 2.176 207 G HA2 -0.207 3.754 3.960 0.001 0.000 0.253 207 G HA3 -0.207 3.754 3.960 0.001 0.000 0.253 207 G C 0.566 175.446 174.900 -0.033 0.000 0.979 207 G CA 0.200 45.286 45.100 -0.024 0.000 0.641 207 G HN 0.866 nan 8.290 nan 0.000 0.530 208 A N 0.725 123.526 122.820 -0.032 0.000 2.540 208 A HA 0.576 4.897 4.320 0.001 0.000 0.239 208 A C 1.883 179.454 177.584 -0.022 0.000 1.061 208 A CA 1.373 53.386 52.037 -0.039 0.000 0.758 208 A CB 0.170 19.160 19.000 -0.016 0.000 0.991 208 A HN 1.743 nan 8.150 nan 0.000 0.502 209 S N 2.090 117.769 115.700 -0.036 0.000 2.370 209 S HA -0.249 4.222 4.470 0.001 0.000 0.226 209 S C 1.547 176.148 174.600 0.002 0.000 1.033 209 S CA 1.635 59.829 58.200 -0.011 0.000 1.011 209 S CB -0.450 62.735 63.200 -0.024 0.000 0.852 209 S HN 1.257 nan 8.310 nan 0.000 0.457 210 K N 0.640 121.030 120.400 -0.017 0.000 6.211 210 K HA -0.309 4.012 4.320 0.001 0.000 0.464 210 K C -0.441 176.129 176.600 -0.049 0.000 0.365 210 K CA 2.057 58.335 56.287 -0.016 0.000 1.948 210 K CB -2.002 30.508 32.500 0.018 0.000 0.668 210 K HN 0.712 nan 8.250 nan 0.000 0.711 211 D N -1.431 118.942 120.400 -0.046 0.000 2.958 211 D HA 0.718 5.358 4.640 0.001 0.000 0.306 211 D C 0.259 176.473 176.300 -0.142 0.000 1.226 211 D CA 0.182 54.091 54.000 -0.152 0.000 1.032 211 D CB 1.118 41.853 40.800 -0.109 0.000 1.400 211 D HN 0.552 nan 8.370 nan 0.000 0.587 212 G N -2.511 106.111 108.800 -0.297 0.000 2.315 212 G HA2 0.435 4.396 3.960 0.001 0.000 0.294 212 G HA3 0.435 4.396 3.960 0.001 0.000 0.294 212 G C -2.351 172.288 174.900 -0.435 0.000 1.300 212 G CA -1.075 43.923 45.100 -0.169 0.000 0.843 212 G HN 0.340 nan 8.290 nan 0.000 0.527 213 W N -0.948 120.315 121.300 -0.062 0.000 3.032 213 W HA 0.742 5.403 4.660 0.001 0.000 0.335 213 W C -0.903 175.398 176.519 -0.363 0.000 1.154 213 W CA -0.794 56.411 57.345 -0.234 0.000 1.204 213 W CB 2.358 31.620 29.460 -0.329 0.000 1.416 213 W HN 0.505 nan 8.180 nan 0.000 0.521 214 L N 2.992 124.055 121.223 -0.267 0.000 2.409 214 L HA 0.704 5.045 4.340 0.001 0.000 0.272 214 L C -1.869 174.797 176.870 -0.340 0.000 0.980 214 L CA -1.050 53.653 54.840 -0.228 0.000 0.826 214 L CB 0.726 42.699 42.059 -0.144 0.000 1.268 214 L HN 0.270 nan 8.230 nan 0.000 0.407 215 F N 2.711 122.732 119.950 0.119 0.000 2.477 215 F HA 0.710 5.238 4.527 0.001 0.000 0.335 215 F C 0.263 176.016 175.800 -0.079 0.000 1.130 215 F CA -0.454 57.591 58.000 0.075 0.000 0.948 215 F CB 2.350 41.434 39.000 0.141 0.000 1.154 215 F HN 0.375 nan 8.300 nan 0.000 0.439 216 T N 2.260 116.776 114.554 -0.063 0.000 2.863 216 T HA 0.851 5.202 4.350 0.001 0.000 0.285 216 T C -0.918 173.712 174.700 -0.117 0.000 1.009 216 T CA -0.862 61.055 62.100 -0.304 0.000 0.989 216 T CB 1.846 70.050 68.868 -1.106 0.000 1.004 216 T HN 0.708 nan 8.240 nan 0.000 0.455 217 A N 2.342 125.139 122.820 -0.038 0.000 2.442 217 A HA 0.678 4.998 4.320 0.001 0.000 0.284 217 A C -0.831 176.835 177.584 0.137 0.000 1.058 217 A CA -0.694 51.395 52.037 0.087 0.000 0.738 217 A CB 1.145 20.211 19.000 0.110 0.000 1.242 217 A HN 0.802 nan 8.150 nan 0.000 0.421 218 E N 2.168 122.503 120.200 0.225 0.000 2.218 218 E HA 0.339 4.690 4.350 0.001 0.000 0.263 218 E C -1.385 175.413 176.600 0.329 0.000 0.879 218 E CA -0.536 56.041 56.400 0.297 0.000 0.762 218 E CB 1.000 30.939 29.700 0.398 0.000 1.166 218 E HN 0.783 nan 8.360 nan 0.000 0.415 219 H N 3.755 122.986 119.070 0.268 0.000 2.504 219 H HA 0.344 4.901 4.556 0.001 0.000 0.322 219 H C -1.304 174.157 175.328 0.221 0.000 1.055 219 H CA -0.247 55.940 56.048 0.231 0.000 1.231 219 H CB 1.245 31.140 29.762 0.222 0.000 1.417 219 H HN 0.422 nan 8.280 nan 0.000 0.472 220 T N 5.025 119.409 114.554 -0.283 0.000 2.758 220 T HA 0.146 4.497 4.350 0.001 0.000 0.285 220 T C -0.042 174.506 174.700 -0.253 0.000 0.981 220 T CA -0.755 61.276 62.100 -0.115 0.000 0.965 220 T CB 1.582 70.433 68.868 -0.028 0.000 0.927 220 T HN 0.502 nan 8.240 nan 0.000 0.448 221 Q N 2.014 121.823 119.800 0.015 0.000 2.316 221 Q HA 0.523 4.863 4.340 0.001 0.000 0.264 221 Q C -0.374 175.710 176.000 0.141 0.000 0.987 221 Q CA -0.395 55.464 55.803 0.093 0.000 0.852 221 Q CB 1.745 30.636 28.738 0.255 0.000 1.287 221 Q HN 0.630 nan 8.270 nan 0.000 0.448 222 S N 2.829 118.592 115.700 0.106 0.000 2.499 222 S HA 0.699 5.170 4.470 0.001 0.000 0.275 222 S C -0.791 173.881 174.600 0.120 0.000 1.257 222 S CA -0.298 57.976 58.200 0.123 0.000 1.050 222 S CB 0.042 63.287 63.200 0.076 0.000 0.937 222 S HN 0.483 nan 8.310 nan 0.000 0.490 223 V N 5.195 125.192 119.914 0.139 0.000 3.216 223 V HA 0.382 4.503 4.120 0.001 0.000 0.302 223 V C 0.053 176.215 176.094 0.113 0.000 1.286 223 V CA -1.126 61.240 62.300 0.110 0.000 1.048 223 V CB 1.715 33.601 31.823 0.106 0.000 1.081 223 V HN 0.919 nan 8.190 nan 0.000 0.442 224 L N 2.094 123.368 121.223 0.086 0.000 4.328 224 L HA -0.293 4.047 4.340 0.001 0.000 0.496 224 L C 1.165 178.099 176.870 0.107 0.000 1.047 224 L CA 1.133 56.023 54.840 0.084 0.000 0.733 224 L CB -1.501 40.604 42.059 0.076 0.000 1.714 224 L HN 0.935 nan 8.230 nan 0.000 0.812 225 K N -2.794 117.670 120.400 0.107 0.000 3.281 225 K HA -0.212 4.109 4.320 0.001 0.000 0.295 225 K C 0.813 177.512 176.600 0.165 0.000 1.233 225 K CA 0.735 57.091 56.287 0.116 0.000 0.866 225 K CB -1.587 30.975 32.500 0.103 0.000 1.265 225 K HN 0.768 nan 8.250 nan 0.000 0.482 226 G N 0.123 109.043 108.800 0.201 0.000 3.265 226 G HA2 0.754 4.714 3.960 0.001 0.000 0.171 226 G HA3 0.754 4.714 3.960 0.001 0.000 0.171 226 G C -1.026 174.108 174.900 0.389 0.000 1.110 226 G CA -0.134 45.154 45.100 0.313 0.000 0.855 226 G HN 0.317 nan 8.290 nan 0.000 0.658 227 F N -1.046 118.980 119.950 0.126 0.000 2.817 227 F HA 0.732 5.259 4.527 0.001 0.000 0.317 227 F C -1.702 174.166 175.800 0.114 0.000 1.168 227 F CA -1.565 56.486 58.000 0.086 0.000 0.911 227 F CB 1.777 40.789 39.000 0.021 0.000 1.337 227 F HN 0.553 nan 8.300 nan 0.000 0.464 228 N N 1.633 120.342 118.700 0.014 0.000 2.425 228 N HA 0.320 5.061 4.740 0.001 0.000 0.289 228 N C -2.142 173.437 175.510 0.114 0.000 1.074 228 N CA -0.560 52.459 53.050 -0.052 0.000 0.905 228 N CB 2.480 41.054 38.487 0.145 0.000 1.586 228 N HN 0.742 nan 8.380 nan 0.000 0.490 229 K N 2.625 123.010 120.400 -0.025 0.000 2.207 229 K HA 0.409 4.729 4.320 0.001 0.000 0.255 229 K C -1.276 175.452 176.600 0.212 0.000 0.941 229 K CA -0.590 55.756 56.287 0.098 0.000 0.825 229 K CB 2.105 34.554 32.500 -0.085 0.000 1.119 229 K HN 0.492 nan 8.250 nan 0.000 0.430 230 F N 2.612 122.661 119.950 0.164 0.000 2.539 230 F HA 0.339 4.866 4.527 0.001 0.000 0.328 230 F C -1.186 174.701 175.800 0.145 0.000 1.148 230 F CA -0.717 57.370 58.000 0.145 0.000 0.940 230 F CB 1.057 40.140 39.000 0.138 0.000 1.194 230 F HN 0.157 nan 8.300 nan 0.000 0.438 231 V N 5.583 125.221 119.914 -0.459 0.000 2.919 231 V HA 0.789 4.910 4.120 0.001 0.000 0.316 231 V C -0.881 174.906 176.094 -0.512 0.000 1.077 231 V CA -1.038 61.069 62.300 -0.322 0.000 0.977 231 V CB 1.810 33.499 31.823 -0.223 0.000 1.039 231 V HN 0.569 nan 8.190 nan 0.000 0.441 232 V N 2.552 122.321 119.914 -0.240 0.000 2.711 232 V HA 0.492 4.613 4.120 0.001 0.000 0.304 232 V C -0.768 175.297 176.094 -0.049 0.000 1.097 232 V CA -0.337 61.871 62.300 -0.153 0.000 0.906 232 V CB 1.880 33.668 31.823 -0.058 0.000 1.015 232 V HN 1.004 nan 8.190 nan 0.000 0.427 233 Q N 2.507 122.300 119.800 -0.012 0.000 2.423 233 Q HA 0.653 4.994 4.340 0.001 0.000 0.278 233 Q C -2.045 174.058 176.000 0.172 0.000 1.097 233 Q CA -0.829 54.997 55.803 0.037 0.000 0.809 233 Q CB 3.450 32.161 28.738 -0.044 0.000 1.391 233 Q HN 0.718 nan 8.270 nan 0.000 0.428 234 Y N 0.464 120.819 120.300 0.092 0.000 2.332 234 Y HA 0.689 5.239 4.550 0.001 0.000 0.325 234 Y C -1.637 174.377 175.900 0.190 0.000 1.054 234 Y CA -0.518 57.679 58.100 0.162 0.000 1.119 234 Y CB 1.310 39.899 38.460 0.215 0.000 1.168 234 Y HN 0.700 nan 8.280 nan 0.000 0.439 235 A N 3.441 126.016 122.820 -0.409 0.000 2.356 235 A HA 0.869 5.189 4.320 0.001 0.000 0.323 235 A C -0.958 176.428 177.584 -0.331 0.000 1.119 235 A CA -0.722 51.157 52.037 -0.263 0.000 0.790 235 A CB 1.516 20.432 19.000 -0.140 0.000 1.273 235 A HN 0.620 nan 8.150 nan 0.000 0.452 236 T N 1.822 116.338 114.554 -0.062 0.000 2.890 236 T HA 0.519 4.870 4.350 0.001 0.000 0.295 236 T C -0.474 174.292 174.700 0.111 0.000 0.993 236 T CA 0.147 62.291 62.100 0.073 0.000 0.979 236 T CB 0.721 69.746 68.868 0.261 0.000 0.967 236 T HN 0.830 nan 8.240 nan 0.000 0.441 237 D N 1.872 122.355 120.400 0.138 0.000 4.134 237 D HA -0.253 4.388 4.640 0.001 0.000 0.141 237 D C 1.685 178.042 176.300 0.095 0.000 0.779 237 D CA 2.106 56.189 54.000 0.138 0.000 1.126 237 D CB -1.435 39.436 40.800 0.118 0.000 0.523 237 D HN 0.650 nan 8.370 nan 0.000 0.513 238 S N -0.179 115.536 115.700 0.025 0.000 2.571 238 S HA -0.113 4.358 4.470 0.001 0.000 0.245 238 S C 1.445 176.021 174.600 -0.040 0.000 0.976 238 S CA 1.219 59.404 58.200 -0.026 0.000 0.954 238 S CB -0.167 62.987 63.200 -0.078 0.000 0.756 238 S HN 0.384 nan 8.310 nan 0.000 0.535 239 M N 1.337 120.925 119.600 -0.020 0.000 2.313 239 M HA 0.127 4.607 4.480 0.001 0.000 0.273 239 M C 1.847 178.151 176.300 0.007 0.000 1.049 239 M CA 0.927 56.203 55.300 -0.039 0.000 1.004 239 M CB -0.290 32.262 32.600 -0.081 0.000 1.461 239 M HN 0.651 nan 8.290 nan 0.000 0.514 240 T N -1.868 112.734 114.554 0.079 0.000 2.978 240 T HA -0.021 4.329 4.350 0.001 0.000 0.262 240 T C 1.948 176.744 174.700 0.160 0.000 1.063 240 T CA 1.405 63.559 62.100 0.090 0.000 1.140 240 T CB -0.277 68.690 68.868 0.166 0.000 0.886 240 T HN 0.345 nan 8.240 nan 0.000 0.470 241 S N 1.279 117.145 115.700 0.277 0.000 2.345 241 S HA -0.119 4.352 4.470 0.001 0.000 0.219 241 S C 2.271 176.948 174.600 0.128 0.000 1.031 241 S CA 0.727 59.106 58.200 0.298 0.000 0.984 241 S CB -0.708 62.623 63.200 0.218 0.000 0.874 241 S HN 0.494 nan 8.310 nan 0.000 0.451 242 Q N 1.602 121.437 119.800 0.058 0.000 2.020 242 Q HA 0.075 4.416 4.340 0.001 0.000 0.198 242 Q C 1.414 177.428 176.000 0.024 0.000 0.974 242 Q CA 1.148 56.962 55.803 0.019 0.000 0.829 242 Q CB -0.676 28.052 28.738 -0.017 0.000 0.894 242 Q HN 0.812 nan 8.270 nan 0.000 0.433 243 G N 1.309 110.119 108.800 0.016 0.000 2.221 243 G HA2 -0.268 3.693 3.960 0.001 0.000 0.265 243 G HA3 -0.268 3.693 3.960 0.001 0.000 0.265 243 G C 0.363 175.272 174.900 0.015 0.000 1.041 243 G CA 0.864 45.973 45.100 0.015 0.000 0.807 243 G HN 0.430 nan 8.290 nan 0.000 0.502 244 K N -1.571 118.831 120.400 0.003 0.000 2.588 244 K HA 0.430 4.751 4.320 0.001 0.000 0.216 244 K C 1.524 178.171 176.600 0.079 0.000 1.382 244 K CA 0.330 56.630 56.287 0.022 0.000 1.008 244 K CB 1.506 33.993 32.500 -0.021 0.000 1.138 244 K HN 1.190 nan 8.250 nan 0.000 0.619 245 G N 1.352 110.171 108.800 0.031 0.000 2.318 245 G HA2 -0.126 3.834 3.960 0.001 0.000 0.172 245 G HA3 -0.126 3.834 3.960 0.001 0.000 0.172 245 G C -0.184 174.699 174.900 -0.029 0.000 1.002 245 G CA -0.601 44.526 45.100 0.047 0.000 0.697 245 G HN 0.015 nan 8.290 nan 0.000 0.483 246 L N 1.747 122.940 121.223 -0.050 0.000 2.325 246 L HA 0.714 5.055 4.340 0.001 0.000 0.279 246 L C 0.531 177.339 176.870 -0.103 0.000 1.054 246 L CA -0.612 54.175 54.840 -0.088 0.000 0.804 246 L CB 1.788 43.798 42.059 -0.082 0.000 1.200 246 L HN 0.180 nan 8.230 nan 0.000 0.436 247 S N 1.914 117.530 115.700 -0.139 0.000 2.525 247 S HA 0.381 4.852 4.470 0.001 0.000 0.290 247 S C -0.485 174.046 174.600 -0.115 0.000 1.152 247 S CA -0.556 57.556 58.200 -0.147 0.000 1.072 247 S CB 0.827 63.895 63.200 -0.220 0.000 1.027 247 S HN 0.626 nan 8.310 nan 0.000 0.500 248 Q N 3.342 123.086 119.800 -0.093 0.000 3.230 248 Q HA 0.267 4.608 4.340 0.001 0.000 0.303 248 Q C 0.726 176.679 176.000 -0.080 0.000 0.884 248 Q CA -0.473 55.283 55.803 -0.078 0.000 0.859 248 Q CB 0.875 29.575 28.738 -0.063 0.000 1.432 248 Q HN 0.857 nan 8.270 nan 0.000 0.403 249 G N 0.643 109.393 108.800 -0.085 0.000 2.956 249 G HA2 -0.143 3.818 3.960 0.001 0.000 0.207 249 G HA3 -0.143 3.818 3.960 0.001 0.000 0.207 249 G C 1.250 176.116 174.900 -0.057 0.000 1.162 249 G CA 0.746 45.802 45.100 -0.073 0.000 0.796 249 G HN 0.489 nan 8.290 nan 0.000 0.527 250 S N -0.857 114.809 115.700 -0.057 0.000 2.470 250 S HA 0.309 4.780 4.470 0.001 0.000 0.222 250 S C 2.051 176.605 174.600 -0.076 0.000 1.024 250 S CA 1.168 59.345 58.200 -0.039 0.000 0.931 250 S CB -0.135 63.058 63.200 -0.012 0.000 0.791 250 S HN 1.340 nan 8.310 nan 0.000 0.513 251 G N 0.490 109.217 108.800 -0.122 0.000 2.166 251 G HA2 -0.222 3.739 3.960 0.001 0.000 0.260 251 G HA3 -0.222 3.739 3.960 0.001 0.000 0.260 251 G C 0.016 174.773 174.900 -0.237 0.000 0.986 251 G CA 0.372 45.361 45.100 -0.185 0.000 0.683 251 G HN 0.844 nan 8.290 nan 0.000 0.527 252 V N 0.419 120.196 119.914 -0.228 0.000 2.417 252 V HA 0.832 4.953 4.120 0.001 0.000 0.291 252 V C 0.590 176.425 176.094 -0.432 0.000 1.024 252 V CA -0.082 62.007 62.300 -0.352 0.000 0.861 252 V CB 1.367 33.023 31.823 -0.278 0.000 0.985 252 V HN 0.974 nan 8.190 nan 0.000 0.436 253 A N 4.557 126.957 122.820 -0.700 0.000 2.373 253 A HA 1.013 5.334 4.320 0.001 0.000 0.291 253 A C -1.292 175.846 177.584 -0.744 0.000 1.171 253 A CA -0.515 51.126 52.037 -0.659 0.000 0.922 253 A CB 1.306 19.700 19.000 -1.011 0.000 1.400 253 A HN 0.605 nan 8.150 nan 0.000 0.474 254 F N -0.009 119.932 119.950 -0.015 0.000 2.581 254 F HA 0.356 4.884 4.527 0.001 0.000 0.311 254 F C -0.167 175.901 175.800 0.446 0.000 1.113 254 F CA -0.711 57.437 58.000 0.247 0.000 0.935 254 F CB 1.988 41.056 39.000 0.113 0.000 1.232 254 F HN 0.738 nan 8.300 nan 0.000 0.445 255 D N 0.187 120.935 120.400 0.581 0.000 2.414 255 D HA 0.069 4.710 4.640 0.001 0.000 0.251 255 D C 0.171 176.632 176.300 0.267 0.000 1.252 255 D CA -0.345 53.867 54.000 0.354 0.000 0.999 255 D CB 0.400 41.182 40.800 -0.031 0.000 1.093 255 D HN 0.577 nan 8.370 nan 0.000 0.515 256 N N -1.240 117.573 118.700 0.190 0.000 2.571 256 N HA -0.049 4.692 4.740 0.001 0.000 0.189 256 N C 0.197 175.751 175.510 0.073 0.000 1.154 256 N CA 0.281 53.403 53.050 0.118 0.000 0.907 256 N CB 0.131 38.675 38.487 0.095 0.000 0.977 256 N HN 0.445 nan 8.380 nan 0.000 0.449 257 E N 0.407 120.658 120.200 0.084 0.000 2.496 257 E HA 0.111 4.461 4.350 0.001 0.000 0.200 257 E C -0.237 176.253 176.600 -0.184 0.000 1.016 257 E CA -0.089 56.304 56.400 -0.011 0.000 0.962 257 E CB 0.440 30.199 29.700 0.098 0.000 1.071 257 E HN 0.037 nan 8.360 nan 0.000 0.457 258 K N -0.127 120.256 120.400 -0.027 0.000 3.209 258 K HA -0.181 4.140 4.320 0.001 0.000 0.289 258 K C -0.833 175.848 176.600 0.136 0.000 1.191 258 K CA 0.772 57.056 56.287 -0.004 0.000 0.851 258 K CB -1.849 30.565 32.500 -0.144 0.000 1.242 258 K HN 0.143 nan 8.250 nan 0.000 0.480 259 F N 0.997 121.153 119.950 0.343 0.000 2.405 259 F HA 0.433 4.960 4.527 0.001 0.000 0.355 259 F C 1.127 177.060 175.800 0.221 0.000 1.121 259 F CA -0.826 57.388 58.000 0.357 0.000 1.112 259 F CB 1.064 40.222 39.000 0.263 0.000 1.126 259 F HN 0.064 nan 8.300 nan 0.000 0.481 260 A N 4.854 127.787 122.820 0.188 0.000 2.440 260 A HA 0.456 4.777 4.320 0.001 0.000 0.251 260 A C -1.046 176.345 177.584 -0.321 0.000 1.089 260 A CA -0.076 51.672 52.037 -0.481 0.000 0.779 260 A CB -0.339 18.337 19.000 -0.541 0.000 1.022 260 A HN 0.752 nan 8.150 nan 0.000 0.492 261 Y N 0.858 120.880 120.300 -0.463 0.000 2.609 261 Y HA 0.628 5.179 4.550 0.001 0.000 0.342 261 Y C -0.539 175.202 175.900 -0.265 0.000 1.058 261 Y CA -1.854 56.074 58.100 -0.287 0.000 1.055 261 Y CB 1.341 39.754 38.460 -0.078 0.000 1.292 261 Y HN 0.532 nan 8.280 nan 0.000 0.476 262 N N 2.818 121.459 118.700 -0.098 0.000 2.439 262 N HA 0.211 4.951 4.740 0.001 0.000 0.249 262 N C 0.168 175.559 175.510 -0.198 0.000 1.003 262 N CA -0.396 52.529 53.050 -0.207 0.000 0.942 262 N CB 0.895 39.277 38.487 -0.175 0.000 1.115 262 N HN 0.958 nan 8.380 nan 0.000 0.505 263 I N 0.063 120.445 120.570 -0.314 0.000 3.883 263 I HA 0.137 4.308 4.170 0.001 0.000 0.326 263 I C 0.727 176.598 176.117 -0.410 0.000 1.283 263 I CA -0.533 60.570 61.300 -0.328 0.000 1.161 263 I CB -0.379 37.410 38.000 -0.353 0.000 1.012 263 I HN 0.394 nan 8.210 nan 0.000 0.421 264 N N 4.833 123.328 118.700 -0.341 0.000 1.338 264 N HA -0.255 4.485 4.740 0.001 0.000 0.401 264 N C 0.143 175.305 175.510 -0.581 0.000 1.167 264 N CA 1.425 54.264 53.050 -0.352 0.000 0.753 264 N CB 0.083 38.419 38.487 -0.251 0.000 0.952 264 N HN 0.789 nan 8.380 nan 0.000 0.556 265 N N 2.068 120.468 118.700 -0.500 0.000 2.238 265 N HA 0.014 4.754 4.740 0.001 0.000 0.222 265 N C -0.694 174.721 175.510 -0.159 0.000 1.133 265 N CA -0.567 52.106 53.050 -0.628 0.000 0.854 265 N CB 0.089 38.430 38.487 -0.244 0.000 1.041 265 N HN 0.364 nan 8.380 nan 0.000 0.510 266 N N 1.339 119.979 118.700 -0.100 0.000 2.454 266 N HA 0.161 4.902 4.740 0.001 0.000 0.260 266 N C 0.501 176.156 175.510 0.241 0.000 1.218 266 N CA 1.036 54.132 53.050 0.077 0.000 0.904 266 N CB 1.344 39.856 38.487 0.042 0.000 1.065 266 N HN 0.557 nan 8.380 nan 0.000 0.462 267 G N 0.794 109.774 108.800 0.299 0.000 2.491 267 G HA2 0.072 4.032 3.960 0.001 0.000 0.183 267 G HA3 0.072 4.032 3.960 0.001 0.000 0.183 267 G C -1.697 173.345 174.900 0.237 0.000 1.221 267 G CA -0.636 44.654 45.100 0.316 0.000 0.996 267 G HN 0.805 nan 8.290 nan 0.000 0.474 268 H N -1.118 117.963 119.070 0.018 0.000 2.967 268 H HA 0.705 5.262 4.556 0.001 0.000 0.318 268 H C -1.536 173.650 175.328 -0.235 0.000 1.375 268 H CA -0.620 55.349 56.048 -0.131 0.000 1.132 268 H CB 1.356 31.058 29.762 -0.101 0.000 1.848 268 H HN 0.995 nan 8.280 nan 0.000 0.524 269 M N 2.374 121.847 119.600 -0.213 0.000 2.446 269 M HA 0.506 4.986 4.480 0.001 0.000 0.294 269 M C -2.192 174.088 176.300 -0.033 0.000 1.158 269 M CA -1.110 54.068 55.300 -0.203 0.000 0.899 269 M CB 2.898 35.365 32.600 -0.222 0.000 1.687 269 M HN 0.587 nan 8.290 nan 0.000 0.455 270 L N 4.273 125.523 121.223 0.046 0.000 2.376 270 L HA 0.641 4.981 4.340 0.001 0.000 0.275 270 L C -1.502 175.385 176.870 0.029 0.000 0.987 270 L CA -0.169 54.765 54.840 0.156 0.000 0.828 270 L CB 1.764 43.987 42.059 0.274 0.000 1.249 270 L HN 0.888 nan 8.230 nan 0.000 0.409 271 R N 4.694 125.209 120.500 0.024 0.000 2.494 271 R HA 0.724 5.065 4.340 0.001 0.000 0.305 271 R C -1.641 174.615 176.300 -0.074 0.000 0.959 271 R CA -0.687 55.382 56.100 -0.052 0.000 0.864 271 R CB 1.371 31.643 30.300 -0.047 0.000 1.159 271 R HN 0.695 nan 8.270 nan 0.000 0.446 272 I N 5.172 125.679 120.570 -0.104 0.000 2.439 272 I HA 0.357 4.528 4.170 0.001 0.000 0.283 272 I C -0.905 175.081 176.117 -0.217 0.000 1.023 272 I CA -0.188 61.012 61.300 -0.167 0.000 1.100 272 I CB 1.770 39.737 38.000 -0.055 0.000 1.238 272 I HN 0.430 nan 8.210 nan 0.000 0.445 273 L N 5.650 126.675 121.223 -0.330 0.000 2.381 273 L HA 0.643 4.984 4.340 0.001 0.000 0.268 273 L C -1.621 175.141 176.870 -0.179 0.000 0.997 273 L CA -0.407 54.284 54.840 -0.248 0.000 0.818 273 L CB 2.129 43.990 42.059 -0.331 0.000 1.310 273 L HN 0.535 nan 8.230 nan 0.000 0.416 274 D N 3.393 123.818 120.400 0.043 0.000 2.763 274 D HA 0.314 4.954 4.640 0.001 0.000 0.235 274 D C -1.650 174.815 176.300 0.276 0.000 1.334 274 D CA -0.187 53.941 54.000 0.213 0.000 0.950 274 D CB 1.269 42.273 40.800 0.341 0.000 1.433 274 D HN 0.666 nan 8.370 nan 0.000 0.580 275 H N 0.846 119.930 119.070 0.024 0.000 2.985 275 H HA 0.825 5.382 4.556 0.001 0.000 0.360 275 H C -0.791 174.238 175.328 -0.497 0.000 1.221 275 H CA -0.762 55.156 56.048 -0.217 0.000 1.121 275 H CB 2.043 31.745 29.762 -0.101 0.000 1.854 275 H HN 0.549 nan 8.280 nan 0.000 0.551 276 G N -0.750 107.386 108.800 -1.106 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 -2.043 172.347 174.900 -0.850 0.000 1.313 276 G CA -0.261 44.135 45.100 -1.174 0.000 0.830 276 G HN 0.912 nan 8.290 nan 0.000 0.506 277 A N -0.180 122.365 122.820 -0.457 0.000 2.427 277 A HA 0.856 5.176 4.320 0.001 0.000 0.298 277 A C -0.520 177.158 177.584 0.157 0.000 1.036 277 A CA -0.428 51.625 52.037 0.026 0.000 0.701 277 A CB 0.966 20.156 19.000 0.317 0.000 1.250 277 A HN 1.928 nan 8.150 nan 0.000 0.412 278 I N -1.296 119.400 120.570 0.210 0.000 2.865 278 I HA 0.813 4.983 4.170 0.001 0.000 0.302 278 I C -0.658 175.558 176.117 0.166 0.000 1.140 278 I CA -0.677 60.736 61.300 0.188 0.000 1.021 278 I CB 2.477 40.573 38.000 0.159 0.000 1.233 278 I HN 0.329 nan 8.210 nan 0.000 0.427 279 S N 5.259 121.048 115.700 0.149 0.000 2.454 279 S HA 0.652 5.123 4.470 0.001 0.000 0.306 279 S C -0.408 174.257 174.600 0.109 0.000 1.100 279 S CA -0.717 57.565 58.200 0.137 0.000 1.087 279 S CB 1.461 64.740 63.200 0.131 0.000 1.019 279 S HN 0.581 nan 8.310 nan 0.000 0.480 280 M N 3.453 123.124 119.600 0.118 0.000 2.016 280 M HA 0.482 4.963 4.480 0.001 0.000 0.315 280 M C 0.691 177.058 176.300 0.112 0.000 0.930 280 M CA -0.248 55.097 55.300 0.075 0.000 0.899 280 M CB 0.727 33.328 32.600 0.002 0.000 1.401 280 M HN 0.999 nan 8.290 nan 0.000 0.386 281 G N 1.923 110.777 108.800 0.091 0.000 2.481 281 G HA2 -0.192 3.769 3.960 0.001 0.000 0.230 281 G HA3 -0.192 3.769 3.960 0.001 0.000 0.230 281 G C -0.169 174.785 174.900 0.089 0.000 1.210 281 G CA 0.007 45.164 45.100 0.095 0.000 0.936 281 G HN 0.595 nan 8.290 nan 0.000 0.583 282 D N 0.452 120.901 120.400 0.081 0.000 2.473 282 D HA 0.095 4.736 4.640 0.001 0.000 0.230 282 D C 1.461 177.741 176.300 -0.033 0.000 1.097 282 D CA 0.064 54.080 54.000 0.028 0.000 0.861 282 D CB 0.166 40.974 40.800 0.012 0.000 1.114 282 D HN 0.285 nan 8.370 nan 0.000 0.500 283 N N -0.212 118.473 118.700 -0.025 0.000 2.236 283 N HA 0.052 4.793 4.740 0.001 0.000 0.196 283 N C -0.502 174.724 175.510 -0.475 0.000 1.114 283 N CA 0.154 53.020 53.050 -0.307 0.000 0.859 283 N CB 0.871 39.164 38.487 -0.324 0.000 0.982 283 N HN 0.158 nan 8.380 nan 0.000 0.493 284 W N 0.318 121.553 121.300 -0.107 0.000 3.127 284 W HA 0.410 5.071 4.660 0.001 0.000 0.330 284 W C -0.879 175.623 176.519 -0.028 0.000 1.187 284 W CA -0.553 56.760 57.345 -0.053 0.000 1.198 284 W CB 1.393 30.863 29.460 0.017 0.000 1.408 284 W HN -0.270 nan 8.180 nan 0.000 0.529 285 D N 2.090 122.654 120.400 0.273 0.000 2.645 285 D HA 0.664 5.304 4.640 0.001 0.000 0.228 285 D C -1.162 175.249 176.300 0.186 0.000 1.148 285 D CA -0.600 53.501 54.000 0.169 0.000 0.860 285 D CB 2.140 42.983 40.800 0.072 0.000 1.548 285 D HN 0.354 nan 8.370 nan 0.000 0.460 286 M N 2.455 122.142 119.600 0.145 0.000 2.296 286 M HA 0.272 4.753 4.480 0.001 0.000 0.268 286 M C -1.888 174.503 176.300 0.152 0.000 1.048 286 M CA -0.374 55.015 55.300 0.147 0.000 0.966 286 M CB 1.351 34.047 32.600 0.160 0.000 1.912 286 M HN 0.363 nan 8.290 nan 0.000 0.484 287 M N 4.750 124.403 119.600 0.088 0.000 2.359 287 M HA 0.600 5.081 4.480 0.001 0.000 0.322 287 M C -1.172 175.217 176.300 0.148 0.000 1.166 287 M CA -0.662 54.656 55.300 0.030 0.000 1.067 287 M CB 1.274 33.843 32.600 -0.052 0.000 1.523 287 M HN 0.634 nan 8.290 nan 0.000 0.467 288 Y N -1.226 119.128 120.300 0.091 0.000 2.558 288 Y HA 0.776 5.326 4.550 0.001 0.000 0.333 288 Y C -1.773 174.221 175.900 0.157 0.000 1.125 288 Y CA -1.477 56.687 58.100 0.106 0.000 1.039 288 Y CB 0.690 39.188 38.460 0.062 0.000 1.331 288 Y HN 0.469 nan 8.280 nan 0.000 0.456 289 V N 0.603 120.674 119.914 0.263 0.000 3.007 289 V HA 1.027 5.147 4.120 0.001 0.000 0.311 289 V C -0.222 176.020 176.094 0.246 0.000 1.120 289 V CA -0.555 61.876 62.300 0.218 0.000 0.980 289 V CB 1.787 33.712 31.823 0.170 0.000 1.033 289 V HN 1.396 nan 8.190 nan 0.000 0.429 290 G N 2.372 111.285 108.800 0.188 0.000 2.733 290 G HA2 0.689 4.649 3.960 0.001 0.000 0.289 290 G HA3 0.689 4.649 3.960 0.001 0.000 0.289 290 G C -1.381 173.553 174.900 0.057 0.000 1.473 290 G CA -0.462 44.740 45.100 0.169 0.000 1.123 290 G HN 0.796 nan 8.290 nan 0.000 0.544 291 M N 2.558 122.141 119.600 -0.029 0.000 2.470 291 M HA 0.710 5.190 4.480 0.001 0.000 0.285 291 M C -2.407 173.718 176.300 -0.292 0.000 1.213 291 M CA -1.120 54.056 55.300 -0.207 0.000 0.901 291 M CB 2.926 35.272 32.600 -0.423 0.000 1.718 291 M HN 0.596 nan 8.290 nan 0.000 0.469 292 Y N 2.865 122.845 120.300 -0.533 0.000 2.331 292 Y HA 0.528 5.079 4.550 0.001 0.000 0.326 292 Y C -1.710 173.872 175.900 -0.531 0.000 1.020 292 Y CA -0.288 57.312 58.100 -0.833 0.000 1.136 292 Y CB 1.511 39.241 38.460 -1.218 0.000 1.157 292 Y HN 0.737 nan 8.280 nan 0.000 0.444 293 Q N 4.937 124.126 119.800 -1.018 0.000 2.337 293 Q HA 0.352 4.693 4.340 0.001 0.000 0.270 293 Q C -2.093 173.481 176.000 -0.710 0.000 1.043 293 Q CA -0.826 54.600 55.803 -0.629 0.000 0.794 293 Q CB 1.731 30.337 28.738 -0.219 0.000 1.281 293 Q HN 0.815 nan 8.270 nan 0.000 0.446 294 D N 4.580 124.660 120.400 -0.533 0.000 2.542 294 D HA 0.334 4.975 4.640 0.001 0.000 0.252 294 D C -1.198 174.908 176.300 -0.322 0.000 1.222 294 D CA -0.333 53.434 54.000 -0.389 0.000 0.895 294 D CB 0.838 41.481 40.800 -0.262 0.000 1.207 294 D HN 0.514 nan 8.370 nan 0.000 0.558 295 I N 3.585 123.922 120.570 -0.388 0.000 2.312 295 I HA 0.304 4.475 4.170 0.001 0.000 0.290 295 I C -0.101 175.644 176.117 -0.619 0.000 1.008 295 I CA -0.750 60.190 61.300 -0.599 0.000 1.226 295 I CB 1.226 38.749 38.000 -0.796 0.000 1.371 295 I HN 0.390 nan 8.210 nan 0.000 0.468 296 N N 6.613 124.904 118.700 -0.681 0.000 2.476 296 N HA 0.312 5.052 4.740 0.001 0.000 0.257 296 N C -1.353 173.966 175.510 -0.318 0.000 0.970 296 N CA -0.575 52.199 53.050 -0.461 0.000 0.938 296 N CB 1.103 39.304 38.487 -0.477 0.000 1.144 296 N HN 0.358 nan 8.380 nan 0.000 0.500 297 W N 2.096 123.320 121.300 -0.128 0.000 2.578 297 W HA 0.298 4.958 4.660 0.001 0.000 0.346 297 W C 0.725 177.214 176.519 -0.050 0.000 1.075 297 W CA -0.691 56.605 57.345 -0.082 0.000 1.233 297 W CB 1.417 30.835 29.460 -0.070 0.000 1.358 297 W HN 0.558 nan 8.180 nan 0.000 0.574 298 D N 0.551 121.094 120.400 0.238 0.000 2.117 298 D HA -0.212 4.429 4.640 0.001 0.000 0.197 298 D C 1.760 178.101 176.300 0.069 0.000 0.987 298 D CA 1.558 55.626 54.000 0.115 0.000 0.829 298 D CB -0.324 40.520 40.800 0.074 0.000 0.961 298 D HN 0.365 nan 8.370 nan 0.000 0.460 299 N N 1.136 119.859 118.700 0.039 0.000 2.635 299 N HA -0.204 4.537 4.740 0.001 0.000 0.191 299 N C -0.270 175.252 175.510 0.020 0.000 1.155 299 N CA 1.074 54.112 53.050 -0.019 0.000 0.927 299 N CB -0.134 38.274 38.487 -0.131 0.000 0.976 299 N HN -0.023 nan 8.380 nan 0.000 0.448 300 D N -1.688 118.757 120.400 0.075 0.000 3.077 300 D HA -0.196 4.444 4.640 0.001 0.000 0.217 300 D C -0.055 176.259 176.300 0.023 0.000 1.162 300 D CA 1.048 55.071 54.000 0.038 0.000 0.943 300 D CB -1.436 39.356 40.800 -0.012 0.000 1.122 300 D HN 0.414 nan 8.370 nan 0.000 0.413 301 N N -0.480 118.289 118.700 0.115 0.000 2.214 301 N HA 0.246 4.987 4.740 0.001 0.000 0.214 301 N C 0.896 176.538 175.510 0.220 0.000 1.132 301 N CA 0.690 53.802 53.050 0.103 0.000 0.856 301 N CB 0.162 38.706 38.487 0.095 0.000 1.020 301 N HN 0.310 nan 8.380 nan 0.000 0.509 302 G N -0.604 108.316 108.800 0.199 0.000 2.527 302 G HA2 0.303 4.264 3.960 0.001 0.000 0.279 302 G HA3 0.303 4.264 3.960 0.001 0.000 0.279 302 G C -0.178 174.653 174.900 -0.115 0.000 1.374 302 G CA 0.445 45.505 45.100 -0.067 0.000 1.053 302 G HN 0.329 nan 8.290 nan 0.000 0.539 303 T N -3.330 111.119 114.554 -0.173 0.000 2.821 303 T HA 0.616 4.967 4.350 0.001 0.000 0.306 303 T C -1.119 173.528 174.700 -0.089 0.000 1.313 303 T CA -0.963 61.089 62.100 -0.081 0.000 1.012 303 T CB 2.306 71.192 68.868 0.029 0.000 1.298 303 T HN 0.519 nan 8.240 nan 0.000 0.502 304 K N 0.915 121.317 120.400 0.003 0.000 2.579 304 K HA 0.393 4.714 4.320 0.001 0.000 0.250 304 K C -1.834 174.839 176.600 0.121 0.000 0.952 304 K CA -0.620 55.652 56.287 -0.026 0.000 0.857 304 K CB 1.361 33.902 32.500 0.069 0.000 1.123 304 K HN 0.668 nan 8.250 nan 0.000 0.433 305 W N 5.163 126.305 121.300 -0.264 0.000 2.570 305 W HA 0.459 5.120 4.660 0.001 0.000 0.337 305 W C -1.658 174.720 176.519 -0.234 0.000 1.067 305 W CA -1.137 56.116 57.345 -0.154 0.000 1.229 305 W CB 0.737 30.077 29.460 -0.200 0.000 1.355 305 W HN 0.518 nan 8.180 nan 0.000 0.555 306 W N 4.232 125.590 121.300 0.096 0.000 2.957 306 W HA 0.491 5.151 4.660 0.001 0.000 0.336 306 W C -0.546 175.904 176.519 -0.116 0.000 1.087 306 W CA -0.424 56.914 57.345 -0.012 0.000 1.235 306 W CB 2.156 31.746 29.460 0.217 0.000 1.399 306 W HN 0.278 nan 8.180 nan 0.000 0.480 307 T N 0.473 115.067 114.554 0.067 0.000 2.903 307 T HA 0.816 5.167 4.350 0.001 0.000 0.299 307 T C -0.830 174.022 174.700 0.254 0.000 1.093 307 T CA -1.006 61.170 62.100 0.126 0.000 1.002 307 T CB 1.630 70.433 68.868 -0.109 0.000 1.127 307 T HN 0.660 nan 8.240 nan 0.000 0.488 308 V N -2.311 117.814 119.914 0.351 0.000 2.950 308 V HA 1.004 5.125 4.120 0.001 0.000 0.295 308 V C -0.393 175.812 176.094 0.186 0.000 1.297 308 V CA -0.427 62.040 62.300 0.278 0.000 0.962 308 V CB 1.289 33.249 31.823 0.227 0.000 1.081 308 V HN 1.597 nan 8.190 nan 0.000 0.432 309 G N 2.684 111.553 108.800 0.116 0.000 2.601 309 G HA2 0.830 4.790 3.960 0.001 0.000 0.291 309 G HA3 0.830 4.790 3.960 0.001 0.000 0.291 309 G C -1.536 173.395 174.900 0.052 0.000 1.456 309 G CA -0.152 44.869 45.100 -0.132 0.000 0.804 309 G HN 1.963 nan 8.290 nan 0.000 0.499 310 I N -2.248 118.334 120.570 0.020 0.000 2.802 310 I HA 0.855 5.026 4.170 0.001 0.000 0.298 310 I C -0.993 175.179 176.117 0.092 0.000 1.176 310 I CA -1.386 59.978 61.300 0.107 0.000 1.025 310 I CB 2.764 40.819 38.000 0.092 0.000 1.243 310 I HN 0.533 nan 8.210 nan 0.000 0.424 311 R N 5.963 126.537 120.500 0.122 0.000 2.415 311 R HA 0.532 4.873 4.340 0.001 0.000 0.292 311 R C -2.897 173.476 176.300 0.121 0.000 1.295 311 R CA -1.448 54.720 56.100 0.113 0.000 1.137 311 R CB 1.648 32.013 30.300 0.108 0.000 1.135 311 R HN 0.479 nan 8.270 nan 0.000 0.560 312 P HA 0.199 nan 4.420 nan 0.000 0.296 312 P C -1.114 176.322 177.300 0.226 0.000 1.306 312 P CA -0.520 62.715 63.100 0.225 0.000 0.818 312 P CB 1.688 33.548 31.700 0.266 0.000 0.969 313 M N 5.168 124.887 119.600 0.197 0.000 2.294 313 M HA 0.395 4.875 4.480 0.001 0.000 0.335 313 M C -1.826 174.427 176.300 -0.078 0.000 1.079 313 M CA -1.062 54.266 55.300 0.046 0.000 0.982 313 M CB 1.579 34.171 32.600 -0.014 0.000 1.651 313 M HN 0.358 nan 8.290 nan 0.000 0.437 314 Y N 5.234 125.238 120.300 -0.494 0.000 2.331 314 Y HA 0.459 5.010 4.550 0.001 0.000 0.334 314 Y C -1.233 174.144 175.900 -0.871 0.000 0.960 314 Y CA -0.794 56.663 58.100 -1.072 0.000 1.130 314 Y CB 1.170 38.610 38.460 -1.700 0.000 1.164 314 Y HN 0.567 nan 8.280 nan 0.000 0.458 315 K N 5.289 124.766 120.400 -1.539 0.000 2.292 315 K HA 0.169 4.490 4.320 0.001 0.000 0.270 315 K C -0.339 175.677 176.600 -0.973 0.000 1.062 315 K CA -0.578 55.094 56.287 -1.023 0.000 0.916 315 K CB 0.707 32.888 32.500 -0.530 0.000 1.166 315 K HN 0.822 nan 8.250 nan 0.000 0.458 316 W N 2.208 123.246 121.300 -0.437 0.000 2.358 316 W HA -0.121 4.540 4.660 0.001 0.000 0.303 316 W C 0.660 177.075 176.519 -0.173 0.000 1.208 316 W CA 0.526 57.743 57.345 -0.212 0.000 1.274 316 W CB 0.086 29.482 29.460 -0.107 0.000 1.138 316 W HN 0.383 nan 8.180 nan 0.000 0.515 317 T N -0.379 114.221 114.554 0.078 0.000 2.864 317 T HA 0.162 4.512 4.350 0.001 0.000 0.289 317 T C -1.726 172.955 174.700 -0.032 0.000 1.082 317 T CA -1.152 60.966 62.100 0.031 0.000 1.009 317 T CB 1.836 70.740 68.868 0.060 0.000 1.234 317 T HN -0.368 nan 8.240 nan 0.000 0.526 318 P HA 0.066 nan 4.420 nan 0.000 0.226 318 P C 0.852 178.145 177.300 -0.011 0.000 1.153 318 P CA 1.004 64.090 63.100 -0.023 0.000 0.777 318 P CB -0.058 31.641 31.700 -0.002 0.000 0.794 319 I N -4.920 115.657 120.570 0.012 0.000 3.817 319 I HA 0.476 4.647 4.170 0.001 0.000 0.325 319 I C 0.105 176.228 176.117 0.011 0.000 1.550 319 I CA -0.615 60.707 61.300 0.036 0.000 1.100 319 I CB 0.209 38.261 38.000 0.087 0.000 1.216 319 I HN -0.246 nan 8.210 nan 0.000 0.481 320 M N 2.505 122.070 119.600 -0.059 0.000 2.271 320 M HA 0.668 5.149 4.480 0.001 0.000 0.285 320 M C -1.346 174.910 176.300 -0.072 0.000 1.059 320 M CA -0.048 55.128 55.300 -0.206 0.000 0.940 320 M CB 1.887 34.336 32.600 -0.252 0.000 1.636 320 M HN 0.303 nan 8.290 nan 0.000 0.460 321 S N 2.037 117.665 115.700 -0.121 0.000 2.720 321 S HA 0.806 5.277 4.470 0.001 0.000 0.287 321 S C -0.990 173.621 174.600 0.019 0.000 1.168 321 S CA -0.790 57.370 58.200 -0.067 0.000 0.832 321 S CB 2.221 65.314 63.200 -0.177 0.000 1.166 321 S HN 0.654 nan 8.310 nan 0.000 0.493 322 T N 1.335 115.899 114.554 0.016 0.000 2.847 322 T HA 0.629 4.980 4.350 0.001 0.000 0.291 322 T C -0.653 174.074 174.700 0.046 0.000 0.998 322 T CA -0.445 61.720 62.100 0.108 0.000 0.967 322 T CB 1.106 70.121 68.868 0.245 0.000 0.954 322 T HN 0.588 nan 8.240 nan 0.000 0.441 323 V N 4.260 124.220 119.914 0.077 0.000 2.713 323 V HA 0.731 4.851 4.120 0.001 0.000 0.307 323 V C -0.082 176.089 176.094 0.128 0.000 1.052 323 V CA -0.961 61.392 62.300 0.089 0.000 0.967 323 V CB 1.855 33.730 31.823 0.087 0.000 1.019 323 V HN 0.921 nan 8.190 nan 0.000 0.459 324 M N 2.741 122.421 119.600 0.133 0.000 2.421 324 M HA 0.597 5.078 4.480 0.001 0.000 0.287 324 M C -1.406 174.974 176.300 0.134 0.000 1.183 324 M CA -0.235 55.152 55.300 0.145 0.000 0.916 324 M CB 2.379 35.065 32.600 0.144 0.000 1.701 324 M HN 0.838 nan 8.290 nan 0.000 0.470 325 E N 4.226 124.507 120.200 0.136 0.000 2.272 325 E HA 0.682 5.033 4.350 0.001 0.000 0.269 325 E C -1.931 174.716 176.600 0.078 0.000 0.877 325 E CA -0.637 55.827 56.400 0.107 0.000 0.755 325 E CB 2.018 31.800 29.700 0.137 0.000 1.192 325 E HN 0.772 nan 8.360 nan 0.000 0.422 326 I N 3.011 123.574 120.570 -0.012 0.000 2.512 326 I HA 0.512 4.683 4.170 0.001 0.000 0.287 326 I C -0.146 175.826 176.117 -0.241 0.000 1.069 326 I CA -0.687 60.594 61.300 -0.032 0.000 1.056 326 I CB 2.157 40.159 38.000 0.003 0.000 1.229 326 I HN 0.570 nan 8.210 nan 0.000 0.429 327 G N 4.377 113.019 108.800 -0.262 0.000 2.563 327 G HA2 0.629 4.590 3.960 0.001 0.000 0.302 327 G HA3 0.629 4.590 3.960 0.001 0.000 0.302 327 G C -2.353 172.606 174.900 0.100 0.000 1.301 327 G CA -0.477 44.267 45.100 -0.594 0.000 0.965 327 G HN 0.418 nan 8.290 nan 0.000 0.480 328 Y N 1.027 121.389 120.300 0.102 0.000 2.421 328 Y HA 0.550 5.100 4.550 0.001 0.000 0.339 328 Y C -1.126 174.983 175.900 0.348 0.000 0.996 328 Y CA -0.956 57.294 58.100 0.250 0.000 1.046 328 Y CB 2.113 40.672 38.460 0.165 0.000 1.226 328 Y HN 0.454 nan 8.280 nan 0.000 0.445 329 D N 4.247 124.388 120.400 -0.432 0.000 2.433 329 D HA 0.307 4.948 4.640 0.001 0.000 0.236 329 D C -1.470 174.571 176.300 -0.432 0.000 1.026 329 D CA -0.551 53.348 54.000 -0.167 0.000 0.884 329 D CB 2.218 43.088 40.800 0.116 0.000 1.384 329 D HN 0.614 nan 8.370 nan 0.000 0.477 330 N N 1.287 120.014 118.700 0.045 0.000 2.697 330 N HA 0.168 4.908 4.740 0.001 0.000 0.271 330 N C -2.020 173.708 175.510 0.363 0.000 1.149 330 N CA -0.220 52.917 53.050 0.145 0.000 0.939 330 N CB 1.466 40.078 38.487 0.208 0.000 1.534 330 N HN 0.040 nan 8.380 nan 0.000 0.556 331 V N 2.198 122.278 119.914 0.277 0.000 2.555 331 V HA 0.500 4.621 4.120 0.001 0.000 0.302 331 V C 0.102 176.449 176.094 0.422 0.000 1.038 331 V CA -0.761 61.732 62.300 0.322 0.000 0.887 331 V CB 1.855 33.778 31.823 0.167 0.000 0.991 331 V HN 0.592 nan 8.190 nan 0.000 0.434 332 E N 2.372 122.790 120.200 0.363 0.000 2.176 332 E HA 0.412 4.762 4.350 0.001 0.000 0.267 332 E C -0.531 176.093 176.600 0.041 0.000 0.893 332 E CA -0.373 56.189 56.400 0.270 0.000 0.761 332 E CB 1.853 31.671 29.700 0.197 0.000 1.133 332 E HN 0.685 nan 8.360 nan 0.000 0.409 333 S N 3.088 118.561 115.700 -0.379 0.000 2.549 333 S HA -0.055 4.416 4.470 0.001 0.000 0.283 333 S C 0.975 175.321 174.600 -0.423 0.000 1.320 333 S CA 0.160 57.863 58.200 -0.828 0.000 1.058 333 S CB 1.303 63.527 63.200 -1.626 0.000 0.882 333 S HN 0.748 nan 8.310 nan 0.000 0.498 334 Q N 3.973 123.581 119.800 -0.320 0.000 1.990 334 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 334 Q C 2.273 178.149 176.000 -0.205 0.000 0.980 334 Q CA 1.506 57.199 55.803 -0.185 0.000 0.832 334 Q CB -0.223 28.445 28.738 -0.116 0.000 0.897 334 Q HN 0.865 nan 8.270 nan 0.000 0.427 335 R N -0.422 119.926 120.500 -0.253 0.000 2.113 335 R HA -0.163 4.177 4.340 0.001 0.000 0.244 335 R C 2.029 178.178 176.300 -0.251 0.000 1.142 335 R CA 2.219 58.177 56.100 -0.238 0.000 0.953 335 R CB -0.327 29.808 30.300 -0.274 0.000 0.860 335 R HN 0.474 nan 8.270 nan 0.000 0.438 336 T N -4.601 109.745 114.554 -0.347 0.000 3.023 336 T HA 0.263 4.614 4.350 0.001 0.000 0.253 336 T C 1.258 175.837 174.700 -0.201 0.000 1.038 336 T CA 0.481 62.418 62.100 -0.270 0.000 0.962 336 T CB 0.877 69.559 68.868 -0.310 0.000 1.018 336 T HN 0.465 nan 8.240 nan 0.000 0.521 337 G N 1.329 110.003 108.800 -0.210 0.000 2.220 337 G HA2 -0.264 3.697 3.960 0.001 0.000 0.269 337 G HA3 -0.264 3.697 3.960 0.001 0.000 0.269 337 G C -0.195 174.662 174.900 -0.072 0.000 0.977 337 G CA 0.359 45.394 45.100 -0.110 0.000 0.634 337 G HN 0.658 nan 8.290 nan 0.000 0.539 338 D N 0.334 120.660 120.400 -0.122 0.000 2.371 338 D HA 0.563 5.204 4.640 0.001 0.000 0.242 338 D C 0.673 177.085 176.300 0.186 0.000 1.218 338 D CA 0.447 54.472 54.000 0.041 0.000 0.945 338 D CB 0.487 41.358 40.800 0.118 0.000 1.137 338 D HN 0.301 nan 8.370 nan 0.000 0.464 339 K N 1.136 121.725 120.400 0.315 0.000 2.443 339 K HA 0.415 4.735 4.320 0.001 0.000 0.252 339 K C -1.101 175.684 176.600 0.309 0.000 0.933 339 K CA -0.934 55.568 56.287 0.359 0.000 0.792 339 K CB 1.608 34.252 32.500 0.240 0.000 1.185 339 K HN 0.298 nan 8.250 nan 0.000 0.425 340 N N 2.779 121.623 118.700 0.241 0.000 2.405 340 N HA 0.380 5.121 4.740 0.001 0.000 0.299 340 N C -1.136 174.411 175.510 0.061 0.000 1.075 340 N CA -0.529 52.531 53.050 0.016 0.000 0.884 340 N CB 1.431 39.732 38.487 -0.309 0.000 1.194 340 N HN 0.767 nan 8.380 nan 0.000 0.491 341 N N -0.258 118.475 118.700 0.056 0.000 2.961 341 N HA 0.289 5.030 4.740 0.001 0.000 0.245 341 N C -1.664 173.881 175.510 0.058 0.000 1.404 341 N CA -0.609 52.456 53.050 0.025 0.000 0.880 341 N CB 2.736 41.265 38.487 0.070 0.000 1.461 341 N HN 0.499 nan 8.380 nan 0.000 0.510 342 Q N -0.002 119.791 119.800 -0.012 0.000 2.633 342 Q HA 0.352 4.692 4.340 0.001 0.000 0.289 342 Q C -2.211 173.889 176.000 0.166 0.000 0.940 342 Q CA -0.766 55.089 55.803 0.086 0.000 0.785 342 Q CB 2.165 30.974 28.738 0.119 0.000 1.467 342 Q HN 0.686 nan 8.270 nan 0.000 0.401 343 Y N 0.022 120.442 120.300 0.200 0.000 2.470 343 Y HA 0.707 5.258 4.550 0.001 0.000 0.341 343 Y C -1.938 174.074 175.900 0.187 0.000 1.021 343 Y CA -0.928 57.320 58.100 0.247 0.000 1.025 343 Y CB 1.561 40.228 38.460 0.345 0.000 1.266 343 Y HN 0.646 nan 8.280 nan 0.000 0.448 344 K N 4.482 125.145 120.400 0.438 0.000 2.375 344 K HA 0.823 5.144 4.320 0.001 0.000 0.249 344 K C -2.074 174.747 176.600 0.369 0.000 0.942 344 K CA -0.945 55.548 56.287 0.344 0.000 0.806 344 K CB 1.841 34.524 32.500 0.304 0.000 1.227 344 K HN 0.904 nan 8.250 nan 0.000 0.430 345 I N 2.351 123.155 120.570 0.390 0.000 2.534 345 I HA 0.192 4.363 4.170 0.001 0.000 0.286 345 I C -0.907 175.407 176.117 0.329 0.000 1.094 345 I CA -0.366 61.129 61.300 0.325 0.000 1.055 345 I CB 2.365 40.572 38.000 0.345 0.000 1.225 345 I HN 0.531 nan 8.210 nan 0.000 0.435 346 T N 6.444 121.164 114.554 0.276 0.000 2.885 346 T HA 0.579 4.929 4.350 0.001 0.000 0.285 346 T C -0.980 173.879 174.700 0.264 0.000 1.019 346 T CA -0.572 61.712 62.100 0.308 0.000 1.010 346 T CB 1.852 70.890 68.868 0.283 0.000 1.022 346 T HN 0.222 nan 8.240 nan 0.000 0.466 347 L N 2.643 124.044 121.223 0.296 0.000 2.376 347 L HA 0.806 5.147 4.340 0.001 0.000 0.275 347 L C -1.005 176.037 176.870 0.285 0.000 0.987 347 L CA -0.528 54.457 54.840 0.242 0.000 0.828 347 L CB 1.014 43.191 42.059 0.197 0.000 1.249 347 L HN 0.871 nan 8.230 nan 0.000 0.409 348 A N 4.160 127.128 122.820 0.247 0.000 2.475 348 A HA 0.691 5.012 4.320 0.001 0.000 0.301 348 A C -1.295 176.400 177.584 0.185 0.000 1.059 348 A CA -0.548 51.653 52.037 0.272 0.000 0.710 348 A CB 2.050 21.236 19.000 0.310 0.000 1.288 348 A HN 0.568 nan 8.150 nan 0.000 0.408 349 Q N 1.230 121.133 119.800 0.171 0.000 2.357 349 Q HA 0.466 4.807 4.340 0.001 0.000 0.266 349 Q C -0.384 175.608 176.000 -0.014 0.000 1.021 349 Q CA -0.220 55.599 55.803 0.027 0.000 0.784 349 Q CB 0.931 29.667 28.738 -0.003 0.000 1.243 349 Q HN 0.794 nan 8.270 nan 0.000 0.465 350 Q N 2.149 121.895 119.800 -0.091 0.000 2.306 350 Q HA 0.569 4.909 4.340 0.001 0.000 0.269 350 Q C -0.971 174.940 176.000 -0.148 0.000 1.053 350 Q CA -0.831 55.004 55.803 0.054 0.000 0.879 350 Q CB 1.815 30.633 28.738 0.134 0.000 1.344 350 Q HN 0.566 nan 8.270 nan 0.000 0.464 351 W N 2.260 123.599 121.300 0.065 0.000 2.587 351 W HA 0.236 4.897 4.660 0.001 0.000 0.324 351 W C -0.734 175.799 176.519 0.023 0.000 1.008 351 W CA -0.524 56.848 57.345 0.046 0.000 1.265 351 W CB 2.181 31.666 29.460 0.041 0.000 1.328 351 W HN 0.753 nan 8.180 nan 0.000 0.432 352 Q N 1.350 121.253 119.800 0.172 0.000 2.416 352 Q HA 0.683 5.024 4.340 0.001 0.000 0.279 352 Q C -0.830 175.214 176.000 0.073 0.000 1.101 352 Q CA -0.781 55.079 55.803 0.095 0.000 0.830 352 Q CB 2.022 30.779 28.738 0.032 0.000 1.402 352 Q HN 0.411 nan 8.270 nan 0.000 0.445 353 A N 0.773 123.617 122.820 0.040 0.000 3.118 353 A HA 0.637 4.958 4.320 0.001 0.000 0.256 353 A C 0.267 177.867 177.584 0.026 0.000 1.667 353 A CA 0.524 52.581 52.037 0.034 0.000 1.338 353 A CB -1.023 17.989 19.000 0.020 0.000 1.127 353 A HN 0.943 nan 8.150 nan 0.000 0.634 354 G N -0.804 108.014 108.800 0.029 0.000 2.427 354 G HA2 0.418 4.379 3.960 0.001 0.000 0.306 354 G HA3 0.418 4.379 3.960 0.001 0.000 0.306 354 G C -0.755 174.158 174.900 0.022 0.000 1.280 354 G CA 0.303 45.421 45.100 0.030 0.000 0.837 354 G HN 0.067 nan 8.290 nan 0.000 0.482 355 D N -1.014 119.401 120.400 0.024 0.000 2.538 355 D HA 0.323 4.964 4.640 0.001 0.000 0.241 355 D C 0.237 176.544 176.300 0.013 0.000 1.297 355 D CA 0.380 54.382 54.000 0.004 0.000 0.804 355 D CB 0.975 41.782 40.800 0.012 0.000 1.122 355 D HN 0.386 nan 8.370 nan 0.000 0.519 356 S N -0.262 115.463 115.700 0.043 0.000 2.638 356 S HA 0.461 4.932 4.470 0.001 0.000 0.302 356 S C 0.970 175.588 174.600 0.029 0.000 1.096 356 S CA -0.679 57.567 58.200 0.076 0.000 0.953 356 S CB 1.156 64.466 63.200 0.184 0.000 1.107 356 S HN 0.128 nan 8.310 nan 0.000 0.503 357 I N 1.215 121.775 120.570 -0.017 0.000 2.546 357 I HA 0.014 4.184 4.170 0.001 0.000 0.255 357 I C 0.559 176.535 176.117 -0.235 0.000 1.163 357 I CA 1.071 62.275 61.300 -0.159 0.000 1.457 357 I CB 0.116 37.962 38.000 -0.256 0.000 1.092 357 I HN 0.749 nan 8.210 nan 0.000 0.434 358 W N 0.830 122.176 121.300 0.076 0.000 3.256 358 W HA 0.117 4.777 4.660 0.001 0.000 0.269 358 W C 1.143 177.681 176.519 0.032 0.000 1.310 358 W CA -0.315 57.094 57.345 0.108 0.000 1.673 358 W CB -0.046 29.514 29.460 0.167 0.000 1.115 358 W HN 0.073 nan 8.180 nan 0.000 0.686 359 S N 2.116 117.907 115.700 0.152 0.000 2.508 359 S HA 0.753 5.224 4.470 0.001 0.000 0.284 359 S C -0.129 174.392 174.600 -0.131 0.000 1.192 359 S CA -0.925 57.295 58.200 0.034 0.000 1.070 359 S CB 1.376 64.612 63.200 0.061 0.000 1.004 359 S HN 0.194 nan 8.310 nan 0.000 0.493 360 R N 0.560 120.912 120.500 -0.246 0.000 2.739 360 R HA 0.603 4.944 4.340 0.001 0.000 0.271 360 R C -3.474 172.716 176.300 -0.184 0.000 1.010 360 R CA -2.063 53.862 56.100 -0.291 0.000 0.897 360 R CB -0.280 29.680 30.300 -0.565 0.000 1.236 360 R HN 0.337 nan 8.270 nan 0.000 0.466 361 P HA 0.316 nan 4.420 nan 0.000 0.272 361 P C -1.222 176.039 177.300 -0.065 0.000 1.240 361 P CA -0.301 62.739 63.100 -0.100 0.000 0.791 361 P CB 0.727 32.396 31.700 -0.051 0.000 0.978 362 A N 1.219 124.020 122.820 -0.032 0.000 2.520 362 A HA 0.708 5.029 4.320 0.001 0.000 0.298 362 A C -1.300 176.341 177.584 0.095 0.000 1.051 362 A CA -0.485 51.575 52.037 0.039 0.000 0.690 362 A CB 1.005 20.010 19.000 0.009 0.000 1.281 362 A HN 0.416 nan 8.150 nan 0.000 0.402 363 I N 2.285 122.968 120.570 0.188 0.000 2.439 363 I HA 0.368 4.539 4.170 0.001 0.000 0.283 363 I C -0.164 176.161 176.117 0.346 0.000 1.023 363 I CA -0.391 61.036 61.300 0.212 0.000 1.100 363 I CB 1.766 39.854 38.000 0.147 0.000 1.238 363 I HN 0.733 nan 8.210 nan 0.000 0.445 364 R N 5.016 125.705 120.500 0.315 0.000 2.668 364 R HA 0.804 5.145 4.340 0.001 0.000 0.279 364 R C -1.119 175.452 176.300 0.452 0.000 0.976 364 R CA -0.988 55.346 56.100 0.390 0.000 0.978 364 R CB 2.500 33.004 30.300 0.340 0.000 1.133 364 R HN 0.233 nan 8.270 nan 0.000 0.484 365 V N 3.772 123.966 119.914 0.466 0.000 2.443 365 V HA 0.491 4.612 4.120 0.001 0.000 0.293 365 V C -0.983 175.340 176.094 0.382 0.000 1.021 365 V CA -0.562 61.964 62.300 0.376 0.000 0.848 365 V CB 0.951 32.980 31.823 0.342 0.000 0.998 365 V HN 0.713 nan 8.190 nan 0.000 0.424 366 F N 3.009 123.132 119.950 0.289 0.000 2.726 366 F HA 1.036 5.563 4.527 0.001 0.000 0.324 366 F C -0.413 175.603 175.800 0.360 0.000 1.140 366 F CA -1.414 56.757 58.000 0.285 0.000 0.964 366 F CB 1.818 40.978 39.000 0.267 0.000 1.399 366 F HN 0.563 nan 8.300 nan 0.000 0.491 367 A N 0.732 123.867 122.820 0.525 0.000 2.459 367 A HA 0.742 5.063 4.320 0.001 0.000 0.296 367 A C -1.288 176.688 177.584 0.655 0.000 1.039 367 A CA -0.571 51.790 52.037 0.541 0.000 0.698 367 A CB 1.303 20.531 19.000 0.379 0.000 1.261 367 A HN 0.865 nan 8.150 nan 0.000 0.405 368 T N 1.214 116.205 114.554 0.728 0.000 2.887 368 T HA 0.674 5.025 4.350 0.001 0.000 0.288 368 T C -1.450 173.640 174.700 0.651 0.000 1.021 368 T CA -0.242 62.235 62.100 0.630 0.000 1.000 368 T CB 1.323 70.560 68.868 0.616 0.000 1.034 368 T HN 0.744 nan 8.240 nan 0.000 0.467 369 Y N 1.005 121.537 120.300 0.387 0.000 2.433 369 Y HA 0.653 5.204 4.550 0.001 0.000 0.337 369 Y C -1.439 174.554 175.900 0.156 0.000 1.026 369 Y CA -0.800 57.476 58.100 0.292 0.000 1.037 369 Y CB 1.186 39.794 38.460 0.247 0.000 1.245 369 Y HN 0.925 nan 8.280 nan 0.000 0.443 370 A N 5.311 127.580 122.820 -0.920 0.000 2.515 370 A HA 0.746 5.067 4.320 0.001 0.000 0.298 370 A C -1.855 175.123 177.584 -1.010 0.000 1.059 370 A CA -0.953 50.614 52.037 -0.783 0.000 0.698 370 A CB 1.684 20.376 19.000 -0.513 0.000 1.289 370 A HN 0.721 nan 8.150 nan 0.000 0.404 371 K N 1.375 121.272 120.400 -0.838 0.000 2.541 371 K HA 0.640 4.960 4.320 0.001 0.000 0.250 371 K C -1.265 175.036 176.600 -0.498 0.000 0.950 371 K CA -0.370 55.425 56.287 -0.819 0.000 0.805 371 K CB 0.903 32.977 32.500 -0.710 0.000 1.166 371 K HN 0.939 nan 8.250 nan 0.000 0.430 372 W N 1.622 122.742 121.300 -0.300 0.000 2.929 372 W HA 0.684 5.345 4.660 0.001 0.000 0.345 372 W C -1.259 175.200 176.519 -0.099 0.000 1.151 372 W CA -0.899 56.340 57.345 -0.177 0.000 1.111 372 W CB 1.115 30.485 29.460 -0.149 0.000 1.449 372 W HN 0.605 nan 8.180 nan 0.000 0.572 373 D N 0.542 121.021 120.400 0.130 0.000 2.337 373 D HA 0.158 4.799 4.640 0.001 0.000 0.238 373 D C -1.323 175.059 176.300 0.137 0.000 1.331 373 D CA -0.230 53.817 54.000 0.078 0.000 0.967 373 D CB 0.698 41.516 40.800 0.031 0.000 1.382 373 D HN 0.457 nan 8.370 nan 0.000 0.549 374 E N 2.249 122.551 120.200 0.171 0.000 2.197 374 E HA 0.325 4.676 4.350 0.001 0.000 0.281 374 E C 0.161 176.804 176.600 0.073 0.000 0.995 374 E CA -0.563 55.872 56.400 0.058 0.000 0.808 374 E CB 2.107 31.794 29.700 -0.021 0.000 1.093 374 E HN 0.276 nan 8.360 nan 0.000 0.394 375 K N 2.849 123.305 120.400 0.092 0.000 2.455 375 K HA 0.146 4.467 4.320 0.001 0.000 0.206 375 K C -0.594 176.186 176.600 0.300 0.000 1.027 375 K CA -0.229 56.167 56.287 0.182 0.000 1.113 375 K CB 0.589 33.200 32.500 0.186 0.000 0.850 375 K HN 0.528 nan 8.250 nan 0.000 0.503 376 W N -1.278 120.041 121.300 0.032 0.000 2.982 376 W HA 0.595 5.256 4.660 0.001 0.000 0.344 376 W C -1.210 175.294 176.519 -0.026 0.000 1.215 376 W CA -0.980 56.349 57.345 -0.027 0.000 1.182 376 W CB 0.346 29.741 29.460 -0.108 0.000 1.437 376 W HN -0.061 nan 8.180 nan 0.000 0.570 377 G N 0.121 109.136 108.800 0.357 0.000 2.600 377 G HA2 0.595 4.556 3.960 0.001 0.000 0.293 377 G HA3 0.595 4.556 3.960 0.001 0.000 0.293 377 G C -2.841 172.123 174.900 0.106 0.000 1.408 377 G CA -1.012 44.176 45.100 0.147 0.000 0.782 377 G HN 0.466 nan 8.290 nan 0.000 0.482 378 Y N 0.062 120.450 120.300 0.147 0.000 2.334 378 Y HA 0.450 5.001 4.550 0.001 0.000 0.328 378 Y C -0.075 175.713 175.900 -0.187 0.000 1.130 378 Y CA -0.356 57.692 58.100 -0.085 0.000 1.163 378 Y CB 1.957 40.341 38.460 -0.127 0.000 1.207 378 Y HN 0.394 nan 8.280 nan 0.000 0.471 379 D N 2.048 122.255 120.400 -0.321 0.000 2.441 379 D HA 0.108 4.749 4.640 0.001 0.000 0.221 379 D C -0.823 175.228 176.300 -0.415 0.000 1.156 379 D CA 0.019 53.900 54.000 -0.198 0.000 0.896 379 D CB 0.026 40.628 40.800 -0.330 0.000 1.028 379 D HN 0.425 nan 8.370 nan 0.000 0.509 380 Y N 1.286 121.605 120.300 0.031 0.000 2.636 380 Y HA 0.117 4.668 4.550 0.001 0.000 0.260 380 Y C 1.046 177.084 175.900 0.229 0.000 1.177 380 Y CA -0.401 57.623 58.100 -0.126 0.000 1.209 380 Y CB 0.085 38.493 38.460 -0.086 0.000 1.166 380 Y HN 0.226 nan 8.280 nan 0.000 0.531 381 T N -1.912 112.863 114.554 0.368 0.000 2.913 381 T HA 0.576 4.927 4.350 0.001 0.000 0.297 381 T C 1.012 175.922 174.700 0.349 0.000 1.029 381 T CA 0.268 62.566 62.100 0.330 0.000 1.104 381 T CB 1.354 70.398 68.868 0.294 0.000 0.964 381 T HN 0.648 nan 8.240 nan 0.000 0.532 382 G N 2.103 111.052 108.800 0.249 0.000 2.488 382 G HA2 -0.177 3.784 3.960 0.001 0.000 0.237 382 G HA3 -0.177 3.784 3.960 0.001 0.000 0.237 382 G C -0.516 174.441 174.900 0.096 0.000 1.209 382 G CA -0.063 45.138 45.100 0.169 0.000 0.929 382 G HN 1.181 nan 8.290 nan 0.000 0.578 383 N N -0.193 118.465 118.700 -0.069 0.000 2.284 383 N HA 0.519 5.260 4.740 0.001 0.000 0.289 383 N C 1.182 176.323 175.510 -0.615 0.000 1.179 383 N CA 0.211 53.078 53.050 -0.305 0.000 0.774 383 N CB 1.705 40.120 38.487 -0.120 0.000 1.548 383 N HN 1.295 nan 8.380 nan 0.000 0.473 384 A N 1.319 123.582 122.820 -0.927 0.000 2.076 384 A HA -0.174 4.147 4.320 0.001 0.000 0.220 384 A C 1.412 178.764 177.584 -0.387 0.000 1.160 384 A CA 1.802 53.366 52.037 -0.789 0.000 0.653 384 A CB -0.325 18.359 19.000 -0.527 0.000 0.801 384 A HN 0.812 nan 8.150 nan 0.000 0.455 385 D N -1.012 119.113 120.400 -0.458 0.000 2.269 385 D HA -0.040 4.600 4.640 0.001 0.000 0.220 385 D C 1.843 177.999 176.300 -0.240 0.000 0.962 385 D CA 0.740 54.486 54.000 -0.423 0.000 0.884 385 D CB -0.125 40.127 40.800 -0.914 0.000 1.023 385 D HN 0.259 nan 8.370 nan 0.000 0.484 386 N N 0.692 119.272 118.700 -0.200 0.000 2.013 386 N HA -0.134 4.607 4.740 0.001 0.000 0.195 386 N C 0.591 176.074 175.510 -0.046 0.000 1.051 386 N CA 0.761 53.758 53.050 -0.088 0.000 0.851 386 N CB -0.681 37.783 38.487 -0.038 0.000 1.044 386 N HN 0.160 nan 8.380 nan 0.000 0.422 387 N N 0.590 119.272 118.700 -0.030 0.000 2.488 387 N HA 0.202 4.943 4.740 0.001 0.000 0.274 387 N C 0.054 175.586 175.510 0.037 0.000 1.111 387 N CA 0.018 53.099 53.050 0.052 0.000 0.974 387 N CB 1.430 40.027 38.487 0.183 0.000 1.089 387 N HN 0.141 nan 8.380 nan 0.000 0.465 388 A N 3.457 126.306 122.820 0.047 0.000 2.115 388 A HA 0.095 4.416 4.320 0.001 0.000 0.211 388 A C 1.207 178.810 177.584 0.031 0.000 1.169 388 A CA 0.294 52.347 52.037 0.027 0.000 0.787 388 A CB 0.036 19.047 19.000 0.018 0.000 0.858 388 A HN 0.636 nan 8.150 nan 0.000 0.474 389 N N -0.592 118.132 118.700 0.039 0.000 2.313 389 N HA 0.168 4.909 4.740 0.001 0.000 0.207 389 N C -0.446 175.025 175.510 -0.065 0.000 1.141 389 N CA -0.375 52.654 53.050 -0.035 0.000 0.830 389 N CB -0.506 37.943 38.487 -0.064 0.000 1.008 389 N HN 0.380 nan 8.380 nan 0.000 0.481 390 F N 1.082 120.943 119.950 -0.149 0.000 2.590 390 F HA 0.218 4.746 4.527 0.001 0.000 0.389 390 F C 1.566 177.205 175.800 -0.268 0.000 1.049 390 F CA 0.708 58.577 58.000 -0.220 0.000 1.199 390 F CB 0.038 38.863 39.000 -0.293 0.000 1.058 390 F HN 0.287 nan 8.300 nan 0.000 0.556 391 G N 3.899 112.075 108.800 -1.041 0.000 2.147 391 G HA2 -0.249 3.711 3.960 0.001 0.000 0.244 391 G HA3 -0.249 3.711 3.960 0.001 0.000 0.244 391 G C 0.106 174.818 174.900 -0.314 0.000 1.005 391 G CA -0.060 44.520 45.100 -0.867 0.000 0.713 391 G HN 0.574 nan 8.290 nan 0.000 0.515 392 K N -0.022 120.191 120.400 -0.312 0.000 2.156 392 K HA 0.747 5.068 4.320 0.001 0.000 0.250 392 K C 0.568 176.957 176.600 -0.352 0.000 0.955 392 K CA -0.109 56.041 56.287 -0.229 0.000 0.855 392 K CB 1.897 34.244 32.500 -0.256 0.000 1.101 392 K HN 0.585 nan 8.250 nan 0.000 0.434 393 A N 1.387 123.949 122.820 -0.429 0.000 2.477 393 A HA 0.353 4.674 4.320 0.001 0.000 0.246 393 A C -0.308 176.942 177.584 -0.558 0.000 1.078 393 A CA -0.111 51.549 52.037 -0.630 0.000 0.770 393 A CB 0.351 18.826 19.000 -0.876 0.000 1.011 393 A HN 0.384 nan 8.150 nan 0.000 0.494 394 V N 4.758 124.372 119.914 -0.500 0.000 3.012 394 V HA 0.482 4.602 4.120 0.001 0.000 0.307 394 V C -2.325 173.577 176.094 -0.321 0.000 1.166 394 V CA -1.483 60.423 62.300 -0.657 0.000 0.974 394 V CB 2.750 33.873 31.823 -1.166 0.000 1.040 394 V HN 0.897 nan 8.190 nan 0.000 0.428 395 P HA 0.119 nan 4.420 nan 0.000 0.271 395 P C 0.490 177.927 177.300 0.229 0.000 1.244 395 P CA 0.214 63.360 63.100 0.077 0.000 0.793 395 P CB 0.836 32.590 31.700 0.091 0.000 0.984 396 A N 1.258 124.237 122.820 0.265 0.000 2.076 396 A HA -0.187 4.133 4.320 0.001 0.000 0.220 396 A C 1.003 178.790 177.584 0.340 0.000 1.160 396 A CA 2.135 54.353 52.037 0.302 0.000 0.653 396 A CB -1.141 17.983 19.000 0.207 0.000 0.801 396 A HN 0.665 nan 8.150 nan 0.000 0.455 397 D N -3.232 117.363 120.400 0.326 0.000 2.540 397 D HA 0.127 4.768 4.640 0.001 0.000 0.229 397 D C 0.179 176.681 176.300 0.337 0.000 1.250 397 D CA -0.737 53.432 54.000 0.281 0.000 0.817 397 D CB -1.001 39.898 40.800 0.166 0.000 1.060 397 D HN 0.160 nan 8.370 nan 0.000 0.508 398 F N 3.143 123.236 119.950 0.237 0.000 2.460 398 F HA -0.004 4.523 4.527 0.001 0.000 0.413 398 F C 0.778 176.710 175.800 0.220 0.000 0.967 398 F CA 0.368 58.451 58.000 0.138 0.000 1.122 398 F CB -0.079 38.873 39.000 -0.080 0.000 0.927 398 F HN 0.025 nan 8.300 nan 0.000 0.527 399 N N 4.490 122.954 118.700 -0.393 0.000 2.738 399 N HA -0.203 4.538 4.740 0.001 0.000 0.249 399 N C 1.106 176.570 175.510 -0.078 0.000 1.047 399 N CA 1.098 53.940 53.050 -0.347 0.000 0.707 399 N CB -1.282 36.857 38.487 -0.581 0.000 0.937 399 N HN 1.297 nan 8.380 nan 0.000 0.545 400 G N -2.126 106.672 108.800 -0.004 0.000 2.270 400 G HA2 -0.339 3.622 3.960 0.001 0.000 0.268 400 G HA3 -0.339 3.622 3.960 0.001 0.000 0.268 400 G C 0.825 175.750 174.900 0.043 0.000 0.982 400 G CA 1.411 46.524 45.100 0.023 0.000 0.628 400 G HN 0.887 nan 8.290 nan 0.000 0.544 401 G N -0.506 108.343 108.800 0.082 0.000 2.504 401 G HA2 0.672 4.633 3.960 0.001 0.000 0.257 401 G HA3 0.672 4.633 3.960 0.001 0.000 0.257 401 G C 0.250 175.132 174.900 -0.031 0.000 1.451 401 G CA 1.001 46.103 45.100 0.004 0.000 1.059 401 G HN 1.882 nan 8.290 nan 0.000 0.550 402 S N -1.582 113.908 115.700 -0.350 0.000 2.562 402 S HA 0.644 5.115 4.470 0.001 0.000 0.274 402 S C -1.444 172.828 174.600 -0.548 0.000 1.160 402 S CA -0.845 57.224 58.200 -0.218 0.000 0.933 402 S CB 1.109 64.263 63.200 -0.078 0.000 1.100 402 S HN 0.391 nan 8.310 nan 0.000 0.468 403 F N 1.542 121.553 119.950 0.101 0.000 2.546 403 F HA 0.936 5.463 4.527 0.001 0.000 0.320 403 F C 1.085 176.915 175.800 0.050 0.000 1.076 403 F CA 0.428 58.477 58.000 0.082 0.000 0.928 403 F CB 1.882 40.935 39.000 0.088 0.000 1.189 403 F HN 1.343 nan 8.300 nan 0.000 0.465 404 G N 1.685 110.575 108.800 0.151 0.000 2.712 404 G HA2 -0.186 3.775 3.960 0.001 0.000 0.683 404 G HA3 -0.186 3.775 3.960 0.001 0.000 0.683 404 G C -0.038 174.874 174.900 0.019 0.000 1.320 404 G CA -0.874 44.244 45.100 0.029 0.000 0.847 404 G HN 0.755 nan 8.290 nan 0.000 0.553 405 R N 0.422 120.910 120.500 -0.020 0.000 2.299 405 R HA 0.408 4.749 4.340 0.001 0.000 0.197 405 R C 1.909 178.358 176.300 0.248 0.000 0.971 405 R CA 2.110 58.213 56.100 0.004 0.000 1.030 405 R CB -0.419 29.704 30.300 -0.295 0.000 0.932 405 R HN 2.302 nan 8.270 nan 0.000 0.477 406 G N 0.693 109.625 108.800 0.221 0.000 2.527 406 G HA2 -0.287 3.674 3.960 0.001 0.000 0.227 406 G HA3 -0.287 3.674 3.960 0.001 0.000 0.227 406 G C -1.119 173.921 174.900 0.232 0.000 1.291 406 G CA -0.046 45.189 45.100 0.225 0.000 0.904 406 G HN 0.335 nan 8.290 nan 0.000 0.577 407 D N -0.259 120.181 120.400 0.067 0.000 2.363 407 D HA 0.652 5.293 4.640 0.001 0.000 0.258 407 D C 0.054 176.154 176.300 -0.334 0.000 1.259 407 D CA 0.747 54.660 54.000 -0.146 0.000 0.921 407 D CB 0.845 41.609 40.800 -0.060 0.000 1.201 407 D HN 0.635 nan 8.370 nan 0.000 0.524 408 S N 2.182 117.387 115.700 -0.826 0.000 3.132 408 S HA 0.713 5.184 4.470 0.001 0.000 0.322 408 S C -1.494 172.329 174.600 -1.295 0.000 1.124 408 S CA -0.473 57.250 58.200 -0.796 0.000 0.906 408 S CB 1.307 64.311 63.200 -0.326 0.000 1.349 408 S HN 0.350 nan 8.310 nan 0.000 0.686 409 D N -0.115 119.753 120.400 -0.886 0.000 2.626 409 D HA 0.799 5.440 4.640 0.001 0.000 0.278 409 D C -1.612 174.522 176.300 -0.276 0.000 1.211 409 D CA 0.051 53.657 54.000 -0.656 0.000 0.903 409 D CB 2.034 42.705 40.800 -0.215 0.000 1.408 409 D HN 0.407 nan 8.370 nan 0.000 0.454 410 E N -0.291 119.810 120.200 -0.165 0.000 2.374 410 E HA 0.421 4.772 4.350 0.001 0.000 0.281 410 E C -1.859 174.885 176.600 0.240 0.000 1.170 410 E CA -0.780 55.681 56.400 0.103 0.000 0.919 410 E CB 0.479 30.281 29.700 0.169 0.000 1.218 410 E HN 0.408 nan 8.360 nan 0.000 0.425 411 W N 2.179 123.625 121.300 0.244 0.000 3.274 411 W HA 0.769 5.429 4.660 0.001 0.000 0.327 411 W C -1.235 175.537 176.519 0.421 0.000 1.172 411 W CA -0.430 57.135 57.345 0.367 0.000 1.217 411 W CB 0.521 30.234 29.460 0.423 0.000 1.376 411 W HN 0.694 nan 8.180 nan 0.000 0.507 412 T N 0.237 115.090 114.554 0.499 0.000 2.888 412 T HA 0.911 5.262 4.350 0.001 0.000 0.288 412 T C -1.018 173.980 174.700 0.495 0.000 1.063 412 T CA -0.601 61.642 62.100 0.239 0.000 1.010 412 T CB 2.601 71.620 68.868 0.251 0.000 1.214 412 T HN 0.898 nan 8.240 nan 0.000 0.533 413 F N -2.488 117.584 119.950 0.204 0.000 2.744 413 F HA 0.858 5.386 4.527 0.001 0.000 0.311 413 F C -0.315 175.319 175.800 -0.277 0.000 1.144 413 F CA -0.420 57.500 58.000 -0.133 0.000 0.938 413 F CB 1.124 40.160 39.000 0.060 0.000 1.292 413 F HN 1.146 nan 8.300 nan 0.000 0.444 414 G N 0.065 108.440 108.800 -0.708 0.000 2.356 414 G HA2 0.721 4.682 3.960 0.001 0.000 0.281 414 G HA3 0.721 4.682 3.960 0.001 0.000 0.281 414 G C -2.306 172.553 174.900 -0.068 0.000 1.246 414 G CA -0.252 44.793 45.100 -0.093 0.000 0.889 414 G HN 1.614 nan 8.290 nan 0.000 0.486 415 A N -0.686 122.307 122.820 0.288 0.000 2.386 415 A HA 0.920 5.241 4.320 0.001 0.000 0.311 415 A C -0.458 177.348 177.584 0.370 0.000 1.068 415 A CA -0.095 52.147 52.037 0.341 0.000 0.743 415 A CB 2.024 21.172 19.000 0.247 0.000 1.258 415 A HN 1.115 nan 8.150 nan 0.000 0.429 416 Q N 1.234 121.240 119.800 0.344 0.000 2.511 416 Q HA 0.680 5.020 4.340 0.001 0.000 0.289 416 Q C -1.734 174.369 176.000 0.171 0.000 1.021 416 Q CA -0.824 55.120 55.803 0.235 0.000 0.785 416 Q CB 1.944 30.812 28.738 0.217 0.000 1.472 416 Q HN 0.866 nan 8.270 nan 0.000 0.411 417 M N 2.240 121.910 119.600 0.117 0.000 2.530 417 M HA 0.585 5.065 4.480 0.001 0.000 0.307 417 M C -2.025 174.311 176.300 0.060 0.000 1.161 417 M CA -0.156 55.190 55.300 0.077 0.000 0.903 417 M CB 2.024 34.652 32.600 0.047 0.000 1.711 417 M HN 0.893 nan 8.290 nan 0.000 0.451 418 E N 4.100 124.311 120.200 0.017 0.000 2.343 418 E HA 0.729 5.080 4.350 0.001 0.000 0.278 418 E C -2.106 174.407 176.600 -0.144 0.000 0.910 418 E CA -0.662 55.720 56.400 -0.030 0.000 0.757 418 E CB 2.735 32.458 29.700 0.039 0.000 1.218 418 E HN 0.874 nan 8.360 nan 0.000 0.435 419 I N 3.863 124.296 120.570 -0.228 0.000 2.735 419 I HA 0.384 4.555 4.170 0.001 0.000 0.287 419 I C -2.089 174.036 176.117 0.013 0.000 1.452 419 I CA -0.617 60.576 61.300 -0.178 0.000 1.061 419 I CB 0.789 38.761 38.000 -0.047 0.000 1.383 419 I HN 0.667 nan 8.210 nan 0.000 0.425 420 W N 6.758 128.091 121.300 0.055 0.000 2.551 420 W HA 0.841 5.502 4.660 0.001 0.000 0.330 420 W C -1.200 175.455 176.519 0.227 0.000 1.063 420 W CA -0.590 56.810 57.345 0.091 0.000 1.222 420 W CB 0.231 29.735 29.460 0.074 0.000 1.349 420 W HN 0.652 nan 8.180 nan 0.000 0.536 421 W N 0.000 121.427 121.300 0.211 0.000 2.388 421 W HA 0.000 4.661 4.660 0.001 0.000 0.303 421 W CA 0.000 57.431 57.345 0.143 0.000 1.226 421 W CB 0.000 29.457 29.460 -0.005 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535