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 1mpm_1_B 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 0.000 176.148 176.094 0.090 0.000 1.182 1 V CA 0.000 62.345 62.300 0.076 0.000 1.235 1 V CB 0.000 31.858 31.823 0.058 0.000 1.184 2 D N 5.539 126.001 120.400 0.103 0.000 2.225 2 D HA 0.418 5.058 4.640 0.001 0.000 0.248 2 D C -0.792 175.525 176.300 0.029 0.000 1.096 2 D CA 0.242 54.269 54.000 0.045 0.000 0.863 2 D CB 1.653 42.535 40.800 0.137 0.000 1.156 2 D HN 0.423 nan 8.370 nan 0.000 0.450 3 F N 4.197 124.000 119.950 -0.245 0.000 2.402 3 F HA 0.311 4.838 4.527 0.001 0.000 0.355 3 F C -0.650 175.048 175.800 -0.170 0.000 1.123 3 F CA -0.397 57.567 58.000 -0.060 0.000 1.021 3 F CB 0.480 39.545 39.000 0.110 0.000 1.160 3 F HN 0.256 nan 8.300 nan 0.000 0.451 4 H N 2.619 121.589 119.070 -0.168 0.000 2.931 4 H HA 0.864 5.421 4.556 0.001 0.000 0.331 4 H C 0.092 174.655 175.328 -1.275 0.000 1.273 4 H CA -0.545 54.996 56.048 -0.846 0.000 1.171 4 H CB 1.634 31.117 29.762 -0.466 0.000 1.898 4 H HN 0.807 nan 8.280 nan 0.000 0.562 5 G N -0.720 107.039 108.800 -1.734 0.000 2.367 5 G HA2 0.277 4.237 3.960 0.001 0.000 0.272 5 G HA3 0.277 4.237 3.960 0.001 0.000 0.272 5 G C -2.363 171.892 174.900 -1.075 0.000 1.271 5 G CA -0.570 43.703 45.100 -1.379 0.000 0.893 5 G HN 0.564 nan 8.290 nan 0.000 0.485 6 Y N -0.081 119.960 120.300 -0.431 0.000 2.552 6 Y HA 0.751 5.302 4.550 0.001 0.000 0.337 6 Y C -0.816 175.308 175.900 0.373 0.000 1.094 6 Y CA 0.045 58.242 58.100 0.161 0.000 1.028 6 Y CB 1.791 40.369 38.460 0.196 0.000 1.321 6 Y HN 1.856 nan 8.280 nan 0.000 0.456 7 A N 5.363 127.862 122.820 -0.535 0.000 2.594 7 A HA 0.827 5.147 4.320 0.001 0.000 0.296 7 A C -1.840 175.555 177.584 -0.315 0.000 1.061 7 A CA -0.885 51.039 52.037 -0.188 0.000 0.689 7 A CB 1.664 20.715 19.000 0.086 0.000 1.280 7 A HN 0.961 nan 8.150 nan 0.000 0.406 8 R N 0.088 120.582 120.500 -0.009 0.000 2.651 8 R HA 0.899 5.239 4.340 0.001 0.000 0.278 8 R C -1.139 175.225 176.300 0.106 0.000 1.010 8 R CA -0.283 55.864 56.100 0.078 0.000 0.896 8 R CB 1.949 32.389 30.300 0.233 0.000 1.211 8 R HN 1.273 nan 8.270 nan 0.000 0.456 9 S N 0.703 116.451 115.700 0.081 0.000 2.556 9 S HA 0.765 5.236 4.470 0.001 0.000 0.280 9 S C -1.241 173.396 174.600 0.063 0.000 1.141 9 S CA 0.124 58.362 58.200 0.063 0.000 0.883 9 S CB 1.709 64.928 63.200 0.031 0.000 1.103 9 S HN 1.170 nan 8.310 nan 0.000 0.453 10 G N 1.926 110.757 108.800 0.050 0.000 2.561 10 G HA2 0.664 4.624 3.960 0.001 0.000 0.310 10 G HA3 0.664 4.624 3.960 0.001 0.000 0.310 10 G C -2.006 172.884 174.900 -0.017 0.000 1.292 10 G CA -0.321 44.813 45.100 0.056 0.000 0.811 10 G HN 1.067 nan 8.290 nan 0.000 0.482 11 I N -0.328 120.208 120.570 -0.057 0.000 2.686 11 I HA 0.786 4.956 4.170 0.001 0.000 0.295 11 I C -0.098 175.781 176.117 -0.397 0.000 1.114 11 I CA -0.537 60.599 61.300 -0.273 0.000 1.038 11 I CB 2.114 39.933 38.000 -0.301 0.000 1.238 11 I HN 1.023 nan 8.210 nan 0.000 0.420 12 G N 5.768 114.158 108.800 -0.682 0.000 2.692 12 G HA2 0.531 4.491 3.960 0.001 0.000 0.291 12 G HA3 0.531 4.491 3.960 0.001 0.000 0.291 12 G C -2.389 171.958 174.900 -0.921 0.000 1.423 12 G CA -0.484 44.276 45.100 -0.567 0.000 0.843 12 G HN 0.542 nan 8.290 nan 0.000 0.486 13 W N 0.126 121.098 121.300 -0.547 0.000 2.936 13 W HA 0.502 5.162 4.660 0.001 0.000 0.338 13 W C -0.684 175.390 176.519 -0.742 0.000 1.121 13 W CA -0.586 56.334 57.345 -0.708 0.000 1.209 13 W CB 2.580 31.379 29.460 -1.101 0.000 1.420 13 W HN 0.428 nan 8.180 nan 0.000 0.516 14 T N 1.440 115.845 114.554 -0.247 0.000 2.799 14 T HA 0.232 4.582 4.350 0.001 0.000 0.286 14 T C 1.288 175.781 174.700 -0.345 0.000 0.973 14 T CA 0.117 62.079 62.100 -0.230 0.000 1.035 14 T CB 1.704 70.521 68.868 -0.085 0.000 0.932 14 T HN 0.618 nan 8.240 nan 0.000 0.469 15 G N 2.369 110.759 108.800 -0.684 0.000 2.599 15 G HA2 -0.285 3.675 3.960 0.001 0.000 0.219 15 G HA3 -0.285 3.675 3.960 0.001 0.000 0.219 15 G C 1.785 176.556 174.900 -0.215 0.000 1.193 15 G CA 1.396 45.864 45.100 -1.054 0.000 0.778 15 G HN 0.779 nan 8.290 nan 0.000 0.589 16 S N -0.335 115.325 115.700 -0.066 0.000 2.555 16 S HA 0.416 4.886 4.470 0.001 0.000 0.230 16 S C 0.995 175.624 174.600 0.049 0.000 0.978 16 S CA 0.788 59.025 58.200 0.062 0.000 0.934 16 S CB -0.191 63.066 63.200 0.095 0.000 0.766 16 S HN 1.721 nan 8.310 nan 0.000 0.533 17 G N -1.208 107.600 108.800 0.013 0.000 2.326 17 G HA2 0.520 4.480 3.960 0.001 0.000 0.478 17 G HA3 0.520 4.480 3.960 0.001 0.000 0.478 17 G C -0.023 174.888 174.900 0.018 0.000 1.551 17 G CA -0.398 44.722 45.100 0.034 0.000 0.946 17 G HN 1.635 nan 8.290 nan 0.000 0.671 18 G N 0.275 109.096 108.800 0.035 0.000 2.782 18 G HA2 0.346 4.306 3.960 0.001 0.000 0.228 18 G HA3 0.346 4.306 3.960 0.001 0.000 0.228 18 G C 0.363 175.228 174.900 -0.058 0.000 1.372 18 G CA 0.901 46.002 45.100 0.003 0.000 0.862 18 G HN 2.294 nan 8.290 nan 0.000 0.547 19 E N 0.053 120.186 120.200 -0.111 0.000 2.438 19 E HA 0.231 4.582 4.350 0.001 0.000 0.261 19 E C 0.642 177.123 176.600 -0.199 0.000 1.103 19 E CA 0.210 56.485 56.400 -0.209 0.000 0.959 19 E CB 0.517 30.111 29.700 -0.176 0.000 0.958 19 E HN 0.778 nan 8.360 nan 0.000 0.447 20 Q N 1.061 120.709 119.800 -0.254 0.000 2.315 20 Q HA -0.082 4.258 4.340 0.001 0.000 0.289 20 Q C -0.692 175.199 176.000 -0.182 0.000 1.044 20 Q CA 0.550 56.239 55.803 -0.191 0.000 0.920 20 Q CB 0.657 29.306 28.738 -0.148 0.000 1.214 20 Q HN 0.504 nan 8.270 nan 0.000 0.392 21 Q N 1.661 121.331 119.800 -0.216 0.000 2.297 21 Q HA 0.495 4.835 4.340 0.001 0.000 0.268 21 Q C -1.267 174.311 176.000 -0.703 0.000 1.045 21 Q CA -0.825 54.775 55.803 -0.339 0.000 0.861 21 Q CB 2.196 30.798 28.738 -0.226 0.000 1.344 21 Q HN 0.686 nan 8.270 nan 0.000 0.452 22 c N 1.080 119.245 118.600 -0.725 0.000 2.562 22 c HA 0.672 5.242 4.570 0.001 0.000 0.332 22 c C -1.205 172.324 174.090 -0.935 0.000 1.201 22 c CA -0.683 55.135 56.329 -0.852 0.000 1.803 22 c CB 0.453 42.733 42.510 -0.384 0.000 2.328 22 c HN 0.660 nan 8.230 nan 0.000 0.500 23 F N 1.848 121.736 119.950 -0.105 0.000 2.445 23 F HA 0.586 5.113 4.527 0.001 0.000 0.348 23 F C 0.063 175.772 175.800 -0.152 0.000 1.125 23 F CA -0.452 57.433 58.000 -0.191 0.000 0.983 23 F CB 0.815 39.718 39.000 -0.162 0.000 1.198 23 F HN 0.501 nan 8.300 nan 0.000 0.436 24 Q N 1.506 121.273 119.800 -0.057 0.000 2.356 24 Q HA 0.481 4.821 4.340 0.001 0.000 0.270 24 Q C -0.886 175.023 176.000 -0.153 0.000 1.058 24 Q CA -0.660 55.098 55.803 -0.074 0.000 0.802 24 Q CB 2.141 30.815 28.738 -0.106 0.000 1.303 24 Q HN 0.650 nan 8.270 nan 0.000 0.444 25 T N 2.766 117.241 114.554 -0.131 0.000 2.870 25 T HA 0.099 4.449 4.350 0.001 0.000 0.300 25 T C -0.310 174.230 174.700 -0.265 0.000 0.989 25 T CA 0.104 62.091 62.100 -0.189 0.000 1.139 25 T CB 0.549 69.344 68.868 -0.122 0.000 0.920 25 T HN 0.556 nan 8.240 nan 0.000 0.537 26 T N 3.567 117.924 114.554 -0.328 0.000 2.829 26 T HA 0.381 4.732 4.350 0.001 0.000 0.293 26 T C 1.537 175.960 174.700 -0.460 0.000 0.970 26 T CA 0.785 62.660 62.100 -0.375 0.000 1.168 26 T CB 0.238 68.809 68.868 -0.494 0.000 0.911 26 T HN 0.957 nan 8.240 nan 0.000 0.535 27 G N 2.372 111.051 108.800 -0.201 0.000 2.254 27 G HA2 -0.098 3.862 3.960 0.001 0.000 0.225 27 G HA3 -0.098 3.862 3.960 0.001 0.000 0.225 27 G C 0.307 174.970 174.900 -0.395 0.000 1.003 27 G CA -0.163 44.900 45.100 -0.061 0.000 0.622 27 G HN 1.150 nan 8.290 nan 0.000 0.507 28 A N 0.250 122.710 122.820 -0.600 0.000 2.354 28 A HA 0.683 5.003 4.320 0.001 0.000 0.269 28 A C 0.926 177.920 177.584 -0.983 0.000 1.109 28 A CA 0.608 51.914 52.037 -1.218 0.000 0.800 28 A CB 0.423 19.005 19.000 -0.696 0.000 1.045 28 A HN 0.425 nan 8.150 nan 0.000 0.489 29 Q N 0.551 119.463 119.800 -1.479 0.000 2.322 29 Q HA 0.134 4.475 4.340 0.001 0.000 0.203 29 Q C 0.099 176.026 176.000 -0.122 0.000 0.923 29 Q CA 0.574 56.055 55.803 -0.538 0.000 0.949 29 Q CB -0.046 28.588 28.738 -0.173 0.000 1.039 29 Q HN 0.898 nan 8.270 nan 0.000 0.496 30 S N -0.596 115.025 115.700 -0.130 0.000 2.636 30 S HA 0.549 5.019 4.470 0.001 0.000 0.266 30 S C -1.538 173.066 174.600 0.007 0.000 1.147 30 S CA -1.208 57.019 58.200 0.046 0.000 0.815 30 S CB 1.499 64.799 63.200 0.167 0.000 1.119 30 S HN 0.182 nan 8.310 nan 0.000 0.470 31 K N -0.357 120.026 120.400 -0.028 0.000 2.480 31 K HA 0.608 4.928 4.320 0.001 0.000 0.258 31 K C -1.904 174.627 176.600 -0.114 0.000 0.990 31 K CA -1.000 55.287 56.287 0.000 0.000 0.857 31 K CB 0.897 33.411 32.500 0.023 0.000 1.384 31 K HN 0.543 nan 8.250 nan 0.000 0.446 32 Y N 2.214 122.574 120.300 0.100 0.000 2.436 32 Y HA 0.111 4.661 4.550 0.001 0.000 0.343 32 Y C 1.417 177.357 175.900 0.067 0.000 1.008 32 Y CA -0.219 57.939 58.100 0.097 0.000 1.241 32 Y CB 0.999 39.540 38.460 0.134 0.000 1.153 32 Y HN 0.597 nan 8.280 nan 0.000 0.521 33 R N 2.157 122.689 120.500 0.053 0.000 2.096 33 R HA -0.059 4.281 4.340 0.001 0.000 0.235 33 R C 0.373 176.690 176.300 0.029 0.000 1.127 33 R CA 0.467 56.583 56.100 0.026 0.000 0.968 33 R CB -0.175 30.116 30.300 -0.015 0.000 0.861 33 R HN 0.483 nan 8.270 nan 0.000 0.440 34 L N 2.764 124.034 121.223 0.079 0.000 2.628 34 L HA -0.026 4.315 4.340 0.001 0.000 0.274 34 L C 0.494 177.280 176.870 -0.139 0.000 1.209 34 L CA 1.254 56.106 54.840 0.021 0.000 0.930 34 L CB 0.225 42.348 42.059 0.106 0.000 1.183 34 L HN 0.771 nan 8.230 nan 0.000 0.492 35 G N 3.777 112.288 108.800 -0.482 0.000 2.305 35 G HA2 -0.338 3.622 3.960 0.001 0.000 0.287 35 G HA3 -0.338 3.622 3.960 0.001 0.000 0.287 35 G C 0.372 174.969 174.900 -0.506 0.000 1.036 35 G CA 0.752 45.100 45.100 -1.253 0.000 0.887 35 G HN 0.797 nan 8.290 nan 0.000 0.505 36 N N -0.246 118.298 118.700 -0.260 0.000 2.527 36 N HA 0.177 4.917 4.740 0.001 0.000 0.279 36 N C -0.553 174.889 175.510 -0.113 0.000 1.571 36 N CA -0.115 52.864 53.050 -0.117 0.000 0.858 36 N CB 0.631 39.130 38.487 0.020 0.000 1.422 36 N HN 0.559 nan 8.380 nan 0.000 0.491 37 E N -0.314 119.821 120.200 -0.109 0.000 2.199 37 E HA 0.368 4.718 4.350 0.001 0.000 0.265 37 E C -0.456 176.118 176.600 -0.045 0.000 0.882 37 E CA -0.537 55.832 56.400 -0.053 0.000 0.759 37 E CB 1.468 31.173 29.700 0.007 0.000 1.148 37 E HN 0.187 nan 8.360 nan 0.000 0.412 38 c N 3.390 121.956 118.600 -0.057 0.000 2.760 38 c HA 0.178 4.748 4.570 0.001 0.000 0.293 38 c C -0.022 174.051 174.090 -0.028 0.000 1.383 38 c CA -0.338 55.954 56.329 -0.062 0.000 1.771 38 c CB -1.146 41.295 42.510 -0.114 0.000 2.353 38 c HN 0.619 nan 8.230 nan 0.000 0.578 39 E N -0.838 119.373 120.200 0.018 0.000 2.446 39 E HA 0.339 4.689 4.350 0.001 0.000 0.276 39 E C -1.358 175.305 176.600 0.104 0.000 0.969 39 E CA -0.464 55.966 56.400 0.051 0.000 0.800 39 E CB 0.800 30.541 29.700 0.067 0.000 1.341 39 E HN -0.089 nan 8.360 nan 0.000 0.460 40 T N 1.722 116.343 114.554 0.113 0.000 2.733 40 T HA 0.357 4.707 4.350 0.001 0.000 0.294 40 T C -1.399 173.440 174.700 0.232 0.000 0.956 40 T CA -0.225 61.955 62.100 0.134 0.000 0.987 40 T CB -0.328 68.580 68.868 0.067 0.000 0.920 40 T HN 0.357 nan 8.240 nan 0.000 0.470 41 Y N 2.712 123.110 120.300 0.163 0.000 2.409 41 Y HA 0.669 5.219 4.550 0.001 0.000 0.343 41 Y C -0.851 175.225 175.900 0.292 0.000 0.973 41 Y CA -1.235 56.999 58.100 0.223 0.000 1.064 41 Y CB 1.258 39.868 38.460 0.250 0.000 1.207 41 Y HN 0.712 nan 8.280 nan 0.000 0.452 42 A N 5.058 127.593 122.820 -0.475 0.000 2.488 42 A HA 0.628 4.948 4.320 0.001 0.000 0.298 42 A C -1.675 175.792 177.584 -0.196 0.000 1.044 42 A CA -0.873 51.069 52.037 -0.158 0.000 0.693 42 A CB 1.309 20.343 19.000 0.056 0.000 1.272 42 A HN 0.758 nan 8.150 nan 0.000 0.402 43 E N 1.997 122.202 120.200 0.007 0.000 2.165 43 E HA 0.476 4.826 4.350 0.001 0.000 0.266 43 E C -1.249 175.438 176.600 0.144 0.000 0.889 43 E CA -0.448 55.981 56.400 0.047 0.000 0.756 43 E CB 1.880 31.623 29.700 0.073 0.000 1.131 43 E HN 0.559 nan 8.360 nan 0.000 0.411 44 L N 3.852 125.212 121.223 0.227 0.000 2.264 44 L HA 0.402 4.742 4.340 0.001 0.000 0.287 44 L C -0.140 176.860 176.870 0.218 0.000 1.039 44 L CA -0.552 54.504 54.840 0.359 0.000 0.829 44 L CB 0.487 42.821 42.059 0.459 0.000 1.211 44 L HN 0.288 nan 8.230 nan 0.000 0.427 45 K N 5.042 125.526 120.400 0.141 0.000 2.185 45 K HA 0.662 4.982 4.320 0.001 0.000 0.269 45 K C -0.940 175.772 176.600 0.187 0.000 0.987 45 K CA -0.463 55.857 56.287 0.055 0.000 0.865 45 K CB 2.127 34.588 32.500 -0.064 0.000 1.090 45 K HN 0.463 nan 8.250 nan 0.000 0.450 46 L N 2.475 123.761 121.223 0.104 0.000 2.342 46 L HA 0.510 4.850 4.340 0.001 0.000 0.276 46 L C 0.125 176.985 176.870 -0.015 0.000 0.997 46 L CA -0.600 54.310 54.840 0.116 0.000 0.838 46 L CB 1.842 43.970 42.059 0.116 0.000 1.224 46 L HN 0.800 nan 8.230 nan 0.000 0.416 47 G N 2.118 110.925 108.800 0.012 0.000 3.042 47 G HA2 0.740 4.700 3.960 0.001 0.000 0.278 47 G HA3 0.740 4.700 3.960 0.001 0.000 0.278 47 G C -1.808 173.035 174.900 -0.094 0.000 1.371 47 G CA -0.332 44.685 45.100 -0.138 0.000 1.009 47 G HN 0.432 nan 8.290 nan 0.000 0.523 48 Q N -0.851 118.704 119.800 -0.407 0.000 2.541 48 Q HA 0.215 4.556 4.340 0.001 0.000 0.259 48 Q C -1.600 174.208 176.000 -0.320 0.000 0.974 48 Q CA -0.573 55.117 55.803 -0.188 0.000 0.955 48 Q CB 2.167 30.915 28.738 0.017 0.000 1.517 48 Q HN 0.635 nan 8.270 nan 0.000 0.412 49 E N 2.611 122.877 120.200 0.109 0.000 2.166 49 E HA 0.163 4.514 4.350 0.001 0.000 0.279 49 E C 0.560 177.282 176.600 0.203 0.000 1.095 49 E CA -0.019 56.560 56.400 0.298 0.000 0.888 49 E CB 0.763 30.686 29.700 0.372 0.000 1.041 49 E HN 0.511 nan 8.360 nan 0.000 0.414 50 V N 2.556 122.603 119.914 0.222 0.000 3.506 50 V HA 0.285 4.405 4.120 0.001 0.000 0.263 50 V C 0.129 176.426 176.094 0.339 0.000 1.203 50 V CA -0.155 62.267 62.300 0.203 0.000 1.133 50 V CB -0.800 31.083 31.823 0.100 0.000 0.802 50 V HN 0.673 nan 8.190 nan 0.000 0.459 51 W N 0.286 121.685 121.300 0.165 0.000 3.707 51 W HA 0.625 5.285 4.660 0.001 0.000 0.294 51 W C -1.325 175.302 176.519 0.181 0.000 1.248 51 W CA -0.646 56.798 57.345 0.165 0.000 1.217 51 W CB 1.216 30.796 29.460 0.200 0.000 1.306 51 W HN -0.118 nan 8.180 nan 0.000 0.532 52 K N 4.138 124.408 120.400 -0.215 0.000 2.525 52 K HA 0.346 4.667 4.320 0.001 0.000 0.254 52 K C -1.485 174.653 176.600 -0.770 0.000 0.934 52 K CA -0.483 55.615 56.287 -0.315 0.000 0.802 52 K CB 2.097 34.544 32.500 -0.089 0.000 1.295 52 K HN 0.606 nan 8.250 nan 0.000 0.433 53 E N 2.669 122.437 120.200 -0.720 0.000 2.621 53 E HA 0.253 4.603 4.350 0.001 0.000 0.263 53 E C -0.092 176.373 176.600 -0.226 0.000 1.033 53 E CA -0.077 55.993 56.400 -0.550 0.000 0.778 53 E CB 1.458 30.732 29.700 -0.709 0.000 1.426 53 E HN 0.991 nan 8.360 nan 0.000 0.394 54 G N 3.704 112.411 108.800 -0.155 0.000 2.559 54 G HA2 -0.399 3.561 3.960 0.001 0.000 0.282 54 G HA3 -0.399 3.561 3.960 0.001 0.000 0.282 54 G C 0.658 175.527 174.900 -0.052 0.000 1.177 54 G CA 0.581 45.635 45.100 -0.078 0.000 0.960 54 G HN 0.550 nan 8.290 nan 0.000 0.540 55 D N 1.447 121.833 120.400 -0.024 0.000 2.277 55 D HA 0.185 4.825 4.640 0.001 0.000 0.208 55 D C 1.103 177.408 176.300 0.010 0.000 0.962 55 D CA 1.002 54.997 54.000 -0.008 0.000 0.865 55 D CB 0.052 40.851 40.800 -0.002 0.000 0.939 55 D HN 0.482 nan 8.370 nan 0.000 0.510 56 K N 0.039 120.463 120.400 0.040 0.000 2.201 56 K HA 0.484 4.804 4.320 0.001 0.000 0.278 56 K C -0.383 176.344 176.600 0.211 0.000 1.027 56 K CA -0.446 55.917 56.287 0.127 0.000 0.909 56 K CB 1.823 34.490 32.500 0.279 0.000 1.062 56 K HN -0.068 nan 8.250 nan 0.000 0.465 57 S N 1.332 117.132 115.700 0.165 0.000 2.618 57 S HA 0.647 5.117 4.470 0.001 0.000 0.277 57 S C -1.237 173.414 174.600 0.084 0.000 1.138 57 S CA -1.019 57.350 58.200 0.281 0.000 0.844 57 S CB 0.760 64.079 63.200 0.199 0.000 1.127 57 S HN 0.340 nan 8.310 nan 0.000 0.474 58 F N 1.277 121.434 119.950 0.346 0.000 2.507 58 F HA 0.550 5.078 4.527 0.001 0.000 0.328 58 F C -0.840 175.124 175.800 0.273 0.000 1.136 58 F CA -0.593 57.543 58.000 0.227 0.000 0.930 58 F CB 1.653 40.721 39.000 0.114 0.000 1.166 58 F HN 0.753 nan 8.300 nan 0.000 0.436 59 Y N 4.458 124.940 120.300 0.302 0.000 2.377 59 Y HA 0.563 5.114 4.550 0.001 0.000 0.339 59 Y C -1.513 174.560 175.900 0.290 0.000 1.011 59 Y CA -1.637 56.606 58.100 0.239 0.000 1.093 59 Y CB 1.283 39.820 38.460 0.127 0.000 1.201 59 Y HN 0.452 nan 8.280 nan 0.000 0.455 60 F N 5.887 125.520 119.950 -0.528 0.000 2.467 60 F HA 0.497 5.025 4.527 0.001 0.000 0.336 60 F C -1.412 174.154 175.800 -0.389 0.000 1.123 60 F CA -0.761 57.069 58.000 -0.284 0.000 0.964 60 F CB 1.007 39.893 39.000 -0.189 0.000 1.136 60 F HN 0.521 nan 8.300 nan 0.000 0.447 61 D N 3.272 123.225 120.400 -0.745 0.000 2.738 61 D HA 0.524 5.165 4.640 0.001 0.000 0.237 61 D C -0.936 174.901 176.300 -0.772 0.000 1.123 61 D CA -0.006 53.633 54.000 -0.602 0.000 0.856 61 D CB 2.225 42.941 40.800 -0.139 0.000 1.552 61 D HN 0.688 nan 8.370 nan 0.000 0.480 62 T N 0.255 114.445 114.554 -0.606 0.000 2.907 62 T HA 0.675 5.026 4.350 0.001 0.000 0.290 62 T C -0.822 173.635 174.700 -0.406 0.000 1.066 62 T CA -1.004 60.784 62.100 -0.520 0.000 1.012 62 T CB 1.433 70.098 68.868 -0.337 0.000 1.184 62 T HN 0.390 nan 8.240 nan 0.000 0.522 63 N N -0.046 118.371 118.700 -0.472 0.000 2.537 63 N HA 0.485 5.225 4.740 0.001 0.000 0.281 63 N C -2.133 173.198 175.510 -0.299 0.000 1.097 63 N CA -0.647 52.178 53.050 -0.375 0.000 0.964 63 N CB 1.866 40.002 38.487 -0.585 0.000 1.588 63 N HN 0.556 nan 8.380 nan 0.000 0.511 64 V N 2.187 122.049 119.914 -0.087 0.000 2.407 64 V HA 0.765 4.885 4.120 0.001 0.000 0.291 64 V C -0.089 175.936 176.094 -0.114 0.000 1.018 64 V CA -0.569 61.707 62.300 -0.040 0.000 0.842 64 V CB 1.036 32.915 31.823 0.094 0.000 0.996 64 V HN 0.770 nan 8.190 nan 0.000 0.426 65 A N 4.895 127.591 122.820 -0.207 0.000 2.312 65 A HA 0.911 5.231 4.320 0.001 0.000 0.328 65 A C -1.426 175.930 177.584 -0.380 0.000 1.158 65 A CA -0.380 51.544 52.037 -0.187 0.000 0.821 65 A CB 0.818 19.816 19.000 -0.002 0.000 1.170 65 A HN 0.726 nan 8.150 nan 0.000 0.490 66 Y N 0.142 120.379 120.300 -0.105 0.000 2.442 66 Y HA 0.626 5.177 4.550 0.001 0.000 0.344 66 Y C 0.371 176.282 175.900 0.018 0.000 0.976 66 Y CA -0.450 57.631 58.100 -0.031 0.000 1.040 66 Y CB 2.637 41.071 38.460 -0.043 0.000 1.228 66 Y HN 0.573 nan 8.280 nan 0.000 0.451 67 S N 2.985 118.835 115.700 0.250 0.000 2.733 67 S HA 0.778 5.248 4.470 0.001 0.000 0.294 67 S C -1.329 173.367 174.600 0.160 0.000 1.149 67 S CA -0.552 57.811 58.200 0.270 0.000 1.034 67 S CB 0.151 63.526 63.200 0.292 0.000 1.015 67 S HN 0.630 nan 8.310 nan 0.000 0.486 68 V N 2.317 122.306 119.914 0.124 0.000 3.102 68 V HA 0.937 5.058 4.120 0.001 0.000 0.312 68 V C 0.924 177.046 176.094 0.047 0.000 1.135 68 V CA -0.366 61.974 62.300 0.066 0.000 1.022 68 V CB 1.156 32.997 31.823 0.030 0.000 1.056 68 V HN 0.826 nan 8.190 nan 0.000 0.436 69 A N 0.754 123.587 122.820 0.021 0.000 2.119 69 A HA 0.104 4.424 4.320 0.001 0.000 0.216 69 A C 1.169 178.745 177.584 -0.014 0.000 1.152 69 A CA 1.044 53.083 52.037 0.002 0.000 0.708 69 A CB -0.819 18.178 19.000 -0.006 0.000 0.805 69 A HN 1.919 nan 8.150 nan 0.000 0.460 70 Q N -1.570 118.223 119.800 -0.012 0.000 2.459 70 Q HA -0.239 4.101 4.340 0.001 0.000 0.322 70 Q C -0.528 175.442 176.000 -0.050 0.000 1.427 70 Q CA 1.079 56.865 55.803 -0.028 0.000 0.861 70 Q CB -1.954 26.769 28.738 -0.025 0.000 1.137 70 Q HN 0.535 nan 8.270 nan 0.000 0.394 71 Q N -0.081 119.697 119.800 -0.036 0.000 2.157 71 Q HA 0.366 4.707 4.340 0.001 0.000 0.235 71 Q C -0.186 175.803 176.000 -0.018 0.000 0.803 71 Q CA 0.270 56.047 55.803 -0.043 0.000 0.967 71 Q CB 0.923 29.637 28.738 -0.039 0.000 1.150 71 Q HN 0.582 nan 8.270 nan 0.000 0.482 72 N N -0.143 118.557 118.700 0.000 0.000 2.825 72 N HA 0.032 4.773 4.740 0.001 0.000 0.253 72 N C 0.024 175.553 175.510 0.031 0.000 1.426 72 N CA -0.235 52.832 53.050 0.028 0.000 0.851 72 N CB 1.806 40.330 38.487 0.062 0.000 1.470 72 N HN -0.154 nan 8.380 nan 0.000 0.517 73 D N -0.118 120.319 120.400 0.061 0.000 2.087 73 D HA -0.103 4.537 4.640 0.001 0.000 0.201 73 D C 0.148 176.495 176.300 0.078 0.000 0.980 73 D CA 0.973 55.009 54.000 0.060 0.000 0.849 73 D CB 0.016 40.865 40.800 0.082 0.000 1.001 73 D HN 0.428 nan 8.370 nan 0.000 0.452 74 W N 2.609 123.903 121.300 -0.011 0.000 2.585 74 W HA 0.276 4.936 4.660 0.001 0.000 0.337 74 W C -1.028 175.490 176.519 -0.001 0.000 1.226 74 W CA -0.048 57.293 57.345 -0.007 0.000 1.463 74 W CB -0.258 29.198 29.460 -0.006 0.000 1.458 74 W HN 0.108 nan 8.180 nan 0.000 0.458 75 E N 4.749 124.765 120.200 -0.305 0.000 2.331 75 E HA 0.391 4.741 4.350 0.001 0.000 0.243 75 E C -0.162 176.290 176.600 -0.247 0.000 0.925 75 E CA -0.492 55.827 56.400 -0.135 0.000 0.760 75 E CB 1.218 30.880 29.700 -0.064 0.000 1.254 75 E HN 0.406 nan 8.360 nan 0.000 0.419 76 A N 2.793 125.527 122.820 -0.142 0.000 2.445 76 A HA 0.470 4.790 4.320 0.001 0.000 0.242 76 A C 0.296 177.880 177.584 -0.001 0.000 1.075 76 A CA 0.259 52.255 52.037 -0.068 0.000 0.777 76 A CB 1.050 20.146 19.000 0.160 0.000 1.013 76 A HN 0.485 nan 8.150 nan 0.000 0.493 77 T N -0.013 114.551 114.554 0.017 0.000 2.739 77 T HA 0.466 4.816 4.350 0.001 0.000 0.303 77 T C -2.038 172.691 174.700 0.048 0.000 1.389 77 T CA -0.665 61.462 62.100 0.047 0.000 1.001 77 T CB 1.316 70.230 68.868 0.075 0.000 1.436 77 T HN 0.510 nan 8.240 nan 0.000 0.500 78 D N 3.320 123.739 120.400 0.031 0.000 2.441 78 D HA 0.442 5.082 4.640 0.001 0.000 0.231 78 D C -1.923 174.354 176.300 -0.039 0.000 1.073 78 D CA -0.994 53.009 54.000 0.004 0.000 0.850 78 D CB 1.507 42.308 40.800 0.002 0.000 1.062 78 D HN 0.373 nan 8.370 nan 0.000 0.524 79 P HA 0.272 nan 4.420 nan 0.000 0.272 79 P C -0.966 176.238 177.300 -0.160 0.000 1.223 79 P CA -0.566 62.346 63.100 -0.314 0.000 0.784 79 P CB 1.041 32.440 31.700 -0.502 0.000 0.923 80 A N 2.656 125.391 122.820 -0.142 0.000 2.260 80 A HA 0.363 4.683 4.320 0.001 0.000 0.314 80 A C -0.672 176.932 177.584 0.034 0.000 1.257 80 A CA -0.562 51.461 52.037 -0.023 0.000 0.871 80 A CB -0.212 18.791 19.000 0.006 0.000 1.166 80 A HN 0.477 nan 8.150 nan 0.000 0.522 81 F N 3.618 123.510 119.950 -0.096 0.000 2.509 81 F HA 0.281 4.809 4.527 0.001 0.000 0.350 81 F C 1.261 177.015 175.800 -0.077 0.000 1.220 81 F CA -0.578 57.367 58.000 -0.091 0.000 1.151 81 F CB 0.381 39.341 39.000 -0.066 0.000 1.379 81 F HN 0.736 nan 8.300 nan 0.000 0.610 82 R N 2.354 122.690 120.500 -0.274 0.000 2.210 82 R HA 0.136 4.477 4.340 0.001 0.000 0.203 82 R C -0.294 175.732 176.300 -0.456 0.000 1.010 82 R CA 0.574 56.519 56.100 -0.260 0.000 1.008 82 R CB 0.208 30.459 30.300 -0.080 0.000 0.923 82 R HN 0.505 nan 8.270 nan 0.000 0.469 83 E N -0.287 119.472 120.200 -0.736 0.000 2.308 83 E HA 0.578 4.928 4.350 0.001 0.000 0.275 83 E C -1.598 174.566 176.600 -0.727 0.000 0.890 83 E CA -0.710 55.300 56.400 -0.650 0.000 0.754 83 E CB 2.466 31.755 29.700 -0.685 0.000 1.207 83 E HN 0.115 nan 8.360 nan 0.000 0.426 84 A N 3.097 125.663 122.820 -0.423 0.000 2.686 84 A HA 0.413 4.733 4.320 0.001 0.000 0.299 84 A C -1.246 176.327 177.584 -0.018 0.000 1.151 84 A CA -0.816 51.093 52.037 -0.214 0.000 0.851 84 A CB -0.155 18.866 19.000 0.036 0.000 1.448 84 A HN 0.719 nan 8.150 nan 0.000 0.404 85 N N -0.658 118.020 118.700 -0.037 0.000 2.525 85 N HA 0.736 5.476 4.740 0.001 0.000 0.270 85 N C -1.533 174.108 175.510 0.219 0.000 1.321 85 N CA -0.850 52.276 53.050 0.127 0.000 0.797 85 N CB 2.159 40.717 38.487 0.118 0.000 1.529 85 N HN 0.144 nan 8.380 nan 0.000 0.491 86 V N 0.600 120.689 119.914 0.291 0.000 2.483 86 V HA 0.389 4.509 4.120 0.001 0.000 0.297 86 V C -0.944 175.356 176.094 0.343 0.000 1.027 86 V CA -0.512 61.989 62.300 0.335 0.000 0.855 86 V CB 1.273 33.277 31.823 0.301 0.000 0.995 86 V HN 0.685 nan 8.190 nan 0.000 0.424 87 Q N 2.826 122.827 119.800 0.335 0.000 2.325 87 Q HA 0.633 4.973 4.340 0.001 0.000 0.262 87 Q C 0.242 176.350 176.000 0.180 0.000 0.968 87 Q CA -0.391 55.576 55.803 0.273 0.000 0.877 87 Q CB 2.196 31.053 28.738 0.197 0.000 1.253 87 Q HN 0.892 nan 8.270 nan 0.000 0.448 88 G N 3.353 112.174 108.800 0.035 0.000 2.468 88 G HA2 0.299 4.259 3.960 0.001 0.000 0.320 88 G HA3 0.299 4.259 3.960 0.001 0.000 0.320 88 G C -0.518 174.244 174.900 -0.230 0.000 1.137 88 G CA -0.661 44.222 45.100 -0.361 0.000 0.984 88 G HN 0.363 nan 8.290 nan 0.000 0.462 89 K N 2.286 122.580 120.400 -0.177 0.000 2.143 89 K HA 0.295 4.616 4.320 0.001 0.000 0.272 89 K C 0.006 176.544 176.600 -0.102 0.000 1.001 89 K CA -0.948 55.280 56.287 -0.097 0.000 0.915 89 K CB 1.259 33.729 32.500 -0.050 0.000 1.047 89 K HN 0.391 nan 8.250 nan 0.000 0.458 90 N N 0.815 119.469 118.700 -0.078 0.000 2.741 90 N HA -0.160 4.581 4.740 0.001 0.000 0.250 90 N C 0.277 175.737 175.510 -0.084 0.000 1.115 90 N CA 0.372 53.383 53.050 -0.064 0.000 0.724 90 N CB -0.818 37.649 38.487 -0.032 0.000 1.090 90 N HN 0.409 nan 8.380 nan 0.000 0.558 91 L N 0.295 121.436 121.223 -0.137 0.000 2.313 91 L HA 0.208 4.548 4.340 0.001 0.000 0.214 91 L C 1.139 177.907 176.870 -0.169 0.000 1.119 91 L CA 1.038 55.786 54.840 -0.154 0.000 0.809 91 L CB 0.050 41.972 42.059 -0.228 0.000 0.933 91 L HN 0.234 nan 8.230 nan 0.000 0.449 92 I N -0.332 120.111 120.570 -0.211 0.000 2.306 92 I HA 0.075 4.246 4.170 0.001 0.000 0.288 92 I C 1.107 177.057 176.117 -0.277 0.000 1.036 92 I CA -0.242 60.843 61.300 -0.358 0.000 1.221 92 I CB 1.082 38.776 38.000 -0.510 0.000 1.385 92 I HN 0.157 nan 8.210 nan 0.000 0.472 93 E N 4.757 124.829 120.200 -0.214 0.000 2.049 93 E HA -0.264 4.087 4.350 0.001 0.000 0.198 93 E C 1.570 178.197 176.600 0.045 0.000 1.007 93 E CA 2.071 58.436 56.400 -0.057 0.000 0.809 93 E CB -0.160 29.538 29.700 -0.004 0.000 0.749 93 E HN 0.884 nan 8.360 nan 0.000 0.450 94 W N 1.126 122.433 121.300 0.013 0.000 2.468 94 W HA 0.005 4.666 4.660 0.001 0.000 0.262 94 W C 0.414 176.939 176.519 0.011 0.000 1.241 94 W CA 0.512 57.864 57.345 0.012 0.000 1.232 94 W CB -0.310 29.158 29.460 0.013 0.000 1.124 94 W HN -0.140 nan 8.180 nan 0.000 0.597 95 L N 3.695 125.015 121.223 0.162 0.000 2.556 95 L HA 0.347 4.688 4.340 0.001 0.000 0.243 95 L C -2.029 174.862 176.870 0.035 0.000 1.331 95 L CA -1.996 52.934 54.840 0.151 0.000 0.927 95 L CB 0.680 42.838 42.059 0.166 0.000 1.219 95 L HN -0.374 nan 8.230 nan 0.000 0.490 96 P HA 0.057 nan 4.420 nan 0.000 0.268 96 P C 0.913 178.215 177.300 0.004 0.000 1.205 96 P CA 0.886 63.993 63.100 0.012 0.000 0.771 96 P CB 1.412 33.126 31.700 0.024 0.000 0.858 97 G N 1.783 110.576 108.800 -0.011 0.000 2.205 97 G HA2 -0.258 3.702 3.960 0.001 0.000 0.261 97 G HA3 -0.258 3.702 3.960 0.001 0.000 0.261 97 G C 0.337 175.228 174.900 -0.015 0.000 0.980 97 G CA 0.438 45.528 45.100 -0.016 0.000 0.632 97 G HN 0.923 nan 8.290 nan 0.000 0.533 98 S N -0.155 115.540 115.700 -0.009 0.000 2.601 98 S HA 0.701 5.171 4.470 0.001 0.000 0.271 98 S C 0.004 174.605 174.600 0.002 0.000 1.305 98 S CA 0.581 58.785 58.200 0.007 0.000 1.022 98 S CB 2.053 65.267 63.200 0.023 0.000 0.940 98 S HN 0.557 nan 8.310 nan 0.000 0.525 99 T N 2.988 117.569 114.554 0.045 0.000 2.823 99 T HA 0.545 4.895 4.350 0.001 0.000 0.279 99 T C 0.003 174.794 174.700 0.152 0.000 0.998 99 T CA -0.678 61.465 62.100 0.072 0.000 0.994 99 T CB 0.600 69.521 68.868 0.088 0.000 0.960 99 T HN 0.733 nan 8.240 nan 0.000 0.448 100 I N 1.178 121.813 120.570 0.108 0.000 2.354 100 I HA 0.773 4.943 4.170 0.001 0.000 0.292 100 I C -0.610 175.641 176.117 0.222 0.000 0.989 100 I CA -0.951 60.410 61.300 0.100 0.000 1.188 100 I CB 1.176 39.174 38.000 -0.003 0.000 1.342 100 I HN 0.666 nan 8.210 nan 0.000 0.457 101 W N 4.670 125.984 121.300 0.025 0.000 2.962 101 W HA 0.911 5.571 4.660 0.001 0.000 0.341 101 W C -1.600 174.933 176.519 0.023 0.000 1.155 101 W CA -1.561 55.809 57.345 0.042 0.000 1.165 101 W CB 1.440 30.931 29.460 0.052 0.000 1.435 101 W HN 0.792 nan 8.180 nan 0.000 0.546 102 A N 1.448 124.418 122.820 0.250 0.000 2.566 102 A HA 0.863 5.184 4.320 0.001 0.000 0.297 102 A C -0.269 177.444 177.584 0.215 0.000 1.059 102 A CA 0.048 52.110 52.037 0.042 0.000 0.691 102 A CB 1.055 20.031 19.000 -0.041 0.000 1.282 102 A HN 2.191 nan 8.150 nan 0.000 0.401 103 G N 0.405 109.312 108.800 0.179 0.000 2.334 103 G HA2 0.325 4.286 3.960 0.001 0.000 0.315 103 G HA3 0.325 4.286 3.960 0.001 0.000 0.315 103 G C -0.940 174.068 174.900 0.180 0.000 1.284 103 G CA -0.507 44.691 45.100 0.163 0.000 0.985 103 G HN 0.868 nan 8.290 nan 0.000 0.504 104 K N 0.222 120.671 120.400 0.081 0.000 2.258 104 K HA 0.649 4.969 4.320 0.001 0.000 0.284 104 K C 0.259 176.838 176.600 -0.036 0.000 1.051 104 K CA -0.321 55.979 56.287 0.021 0.000 0.923 104 K CB 0.736 33.201 32.500 -0.059 0.000 1.046 104 K HN 0.728 nan 8.250 nan 0.000 0.474 105 R N 3.843 124.339 120.500 -0.007 0.000 2.604 105 R HA 0.257 4.597 4.340 0.001 0.000 0.270 105 R C -1.422 174.885 176.300 0.013 0.000 1.052 105 R CA -0.676 55.357 56.100 -0.112 0.000 0.902 105 R CB 0.609 30.774 30.300 -0.225 0.000 1.233 105 R HN 0.332 nan 8.270 nan 0.000 0.455 106 F N 4.105 123.935 119.950 -0.201 0.000 2.494 106 F HA 0.170 4.698 4.527 0.001 0.000 0.351 106 F C -0.224 175.452 175.800 -0.207 0.000 1.205 106 F CA -0.490 57.392 58.000 -0.196 0.000 1.125 106 F CB -0.173 38.697 39.000 -0.218 0.000 1.268 106 F HN 0.361 nan 8.300 nan 0.000 0.593 107 Y N 3.898 124.097 120.300 -0.168 0.000 2.425 107 Y HA 0.220 4.770 4.550 0.001 0.000 0.347 107 Y C 0.706 176.438 175.900 -0.280 0.000 0.976 107 Y CA -0.768 57.154 58.100 -0.297 0.000 1.190 107 Y CB 0.318 38.612 38.460 -0.276 0.000 1.136 107 Y HN 0.632 nan 8.280 nan 0.000 0.517 108 Q N 4.974 124.361 119.800 -0.687 0.000 2.413 108 Q HA -0.288 4.053 4.340 0.001 0.000 0.364 108 Q C -0.493 175.271 176.000 -0.394 0.000 1.359 108 Q CA 0.671 56.086 55.803 -0.646 0.000 1.097 108 Q CB -0.989 27.195 28.738 -0.923 0.000 1.286 108 Q HN 0.677 nan 8.270 nan 0.000 0.358 109 R N 0.967 121.304 120.500 -0.271 0.000 2.390 109 R HA 0.366 4.706 4.340 0.001 0.000 0.291 109 R C -0.484 175.727 176.300 -0.148 0.000 1.070 109 R CA -0.377 55.635 56.100 -0.146 0.000 1.014 109 R CB 0.927 31.182 30.300 -0.075 0.000 1.007 109 R HN 0.274 nan 8.270 nan 0.000 0.466 110 H N 1.988 120.820 119.070 -0.397 0.000 2.459 110 H HA 0.230 4.787 4.556 0.001 0.000 0.332 110 H C -0.558 174.186 175.328 -0.974 0.000 1.094 110 H CA -0.736 54.953 56.048 -0.597 0.000 1.224 110 H CB 1.808 31.201 29.762 -0.615 0.000 1.449 110 H HN 0.754 nan 8.280 nan 0.000 0.484 111 D N 1.367 121.333 120.400 -0.723 0.000 2.610 111 D HA 0.238 4.878 4.640 0.001 0.000 0.271 111 D C -1.038 175.101 176.300 -0.268 0.000 1.174 111 D CA -0.757 52.762 54.000 -0.802 0.000 0.949 111 D CB 1.760 41.684 40.800 -1.459 0.000 1.430 111 D HN 0.185 nan 8.370 nan 0.000 0.467 112 V N 1.402 121.205 119.914 -0.185 0.000 2.350 112 V HA 0.115 4.235 4.120 0.001 0.000 0.285 112 V C 1.124 177.213 176.094 -0.008 0.000 1.014 112 V CA -0.515 61.718 62.300 -0.112 0.000 0.831 112 V CB 0.703 32.433 31.823 -0.155 0.000 1.000 112 V HN 0.776 nan 8.190 nan 0.000 0.433 113 H N 5.760 124.883 119.070 0.088 0.000 2.290 113 H HA -0.227 4.330 4.556 0.001 0.000 0.298 113 H C 2.106 177.482 175.328 0.080 0.000 1.087 113 H CA 3.006 59.119 56.048 0.110 0.000 1.291 113 H CB 0.144 30.083 29.762 0.294 0.000 1.369 113 H HN 0.689 nan 8.280 nan 0.000 0.492 114 M N 0.221 119.869 119.600 0.080 0.000 2.346 114 M HA -0.057 4.423 4.480 0.001 0.000 0.263 114 M C 1.570 177.802 176.300 -0.113 0.000 1.064 114 M CA 2.077 57.395 55.300 0.031 0.000 1.083 114 M CB -0.376 32.332 32.600 0.180 0.000 1.399 114 M HN 0.496 nan 8.290 nan 0.000 0.435 115 I N -3.097 117.368 120.570 -0.174 0.000 4.018 115 I HA 0.319 4.489 4.170 0.001 0.000 0.337 115 I C -0.085 175.976 176.117 -0.094 0.000 1.327 115 I CA -0.258 60.887 61.300 -0.257 0.000 1.100 115 I CB -0.191 37.583 38.000 -0.375 0.000 1.025 115 I HN 0.114 nan 8.210 nan 0.000 0.396 116 D N 2.138 122.466 120.400 -0.121 0.000 2.689 116 D HA -0.294 4.346 4.640 0.001 0.000 0.237 116 D C -0.797 175.530 176.300 0.044 0.000 1.148 116 D CA 0.716 54.655 54.000 -0.100 0.000 0.656 116 D CB -1.165 39.576 40.800 -0.098 0.000 1.050 116 D HN 0.498 nan 8.370 nan 0.000 0.426 117 F N 1.596 121.463 119.950 -0.138 0.000 2.426 117 F HA 0.484 5.011 4.527 0.001 0.000 0.348 117 F C -1.008 174.723 175.800 -0.116 0.000 1.124 117 F CA -0.985 56.997 58.000 -0.030 0.000 1.008 117 F CB 0.718 39.717 39.000 -0.003 0.000 1.139 117 F HN -0.113 nan 8.300 nan 0.000 0.452 118 Y N 6.639 126.556 120.300 -0.639 0.000 2.341 118 Y HA 0.184 4.734 4.550 0.001 0.000 0.340 118 Y C 0.309 175.753 175.900 -0.761 0.000 0.997 118 Y CA -0.318 57.427 58.100 -0.592 0.000 1.149 118 Y CB 0.598 38.786 38.460 -0.452 0.000 1.171 118 Y HN 0.648 nan 8.280 nan 0.000 0.494 119 Y N -0.363 119.701 120.300 -0.394 0.000 2.449 119 Y HA 0.284 4.834 4.550 0.001 0.000 0.254 119 Y C -0.272 175.641 175.900 0.022 0.000 1.140 119 Y CA -0.920 57.024 58.100 -0.259 0.000 1.272 119 Y CB 0.469 38.878 38.460 -0.085 0.000 1.114 119 Y HN 0.471 nan 8.280 nan 0.000 0.525 120 W N 2.881 123.986 121.300 -0.326 0.000 2.642 120 W HA 0.456 5.116 4.660 0.001 0.000 0.304 120 W C -2.054 174.365 176.519 -0.168 0.000 1.023 120 W CA -1.684 55.528 57.345 -0.221 0.000 1.290 120 W CB 1.173 30.408 29.460 -0.374 0.000 1.190 120 W HN 0.057 nan 8.180 nan 0.000 0.374 121 D N 5.274 125.724 120.400 0.082 0.000 2.323 121 D HA 0.207 4.847 4.640 0.001 0.000 0.242 121 D C 0.164 176.430 176.300 -0.055 0.000 1.347 121 D CA -0.226 53.733 54.000 -0.068 0.000 0.988 121 D CB 0.461 41.176 40.800 -0.142 0.000 1.314 121 D HN 0.374 nan 8.370 nan 0.000 0.564 122 I N 0.123 120.668 120.570 -0.042 0.000 3.884 122 I HA 0.362 4.532 4.170 0.001 0.000 0.330 122 I C 0.074 176.170 176.117 -0.036 0.000 1.451 122 I CA -0.515 60.769 61.300 -0.027 0.000 1.165 122 I CB 0.251 38.253 38.000 0.004 0.000 1.097 122 I HN -0.059 nan 8.210 nan 0.000 0.404 123 S N 1.675 117.342 115.700 -0.055 0.000 2.569 123 S HA 0.651 5.121 4.470 0.001 0.000 0.274 123 S C 0.605 175.202 174.600 -0.006 0.000 1.353 123 S CA 0.289 58.484 58.200 -0.007 0.000 1.023 123 S CB 0.860 64.049 63.200 -0.018 0.000 0.876 123 S HN 0.864 nan 8.310 nan 0.000 0.540 124 G N 0.800 109.623 108.800 0.039 0.000 2.350 124 G HA2 0.263 4.224 3.960 0.001 0.000 0.282 124 G HA3 0.263 4.224 3.960 0.001 0.000 0.282 124 G C -3.630 171.294 174.900 0.039 0.000 1.314 124 G CA -1.143 43.968 45.100 0.018 0.000 0.915 124 G HN 0.492 nan 8.290 nan 0.000 0.499 125 P HA 0.493 nan 4.420 nan 0.000 0.266 125 P C 0.533 177.845 177.300 0.019 0.000 1.195 125 P CA 1.296 64.411 63.100 0.025 0.000 0.768 125 P CB 1.251 32.946 31.700 -0.008 0.000 0.838 126 G N 0.270 109.093 108.800 0.038 0.000 2.427 126 G HA2 0.679 4.639 3.960 0.001 0.000 0.306 126 G HA3 0.679 4.639 3.960 0.001 0.000 0.306 126 G C -2.135 172.522 174.900 -0.406 0.000 1.280 126 G CA -0.013 45.025 45.100 -0.103 0.000 0.837 126 G HN 0.584 nan 8.290 nan 0.000 0.482 127 A N -1.902 120.370 122.820 -0.913 0.000 2.599 127 A HA 1.063 5.384 4.320 0.001 0.000 0.294 127 A C -0.233 176.482 177.584 -1.448 0.000 1.055 127 A CA 0.470 51.724 52.037 -1.305 0.000 0.683 127 A CB 1.408 20.053 19.000 -0.592 0.000 1.278 127 A HN 2.565 nan 8.150 nan 0.000 0.412 128 G N -1.004 106.834 108.800 -1.604 0.000 2.506 128 G HA2 0.645 4.605 3.960 0.001 0.000 0.292 128 G HA3 0.645 4.605 3.960 0.001 0.000 0.292 128 G C -2.381 172.320 174.900 -0.332 0.000 1.425 128 G CA -0.388 44.263 45.100 -0.749 0.000 0.788 128 G HN 1.769 nan 8.290 nan 0.000 0.490 129 L N 0.680 121.904 121.223 0.001 0.000 2.342 129 L HA 0.693 5.034 4.340 0.001 0.000 0.276 129 L C -0.102 176.891 176.870 0.205 0.000 0.997 129 L CA -0.745 54.151 54.840 0.093 0.000 0.838 129 L CB 1.251 43.344 42.059 0.057 0.000 1.224 129 L HN 0.670 nan 8.230 nan 0.000 0.416 130 E N 3.025 123.386 120.200 0.269 0.000 2.222 130 E HA 0.343 4.694 4.350 0.001 0.000 0.272 130 E C -0.246 176.423 176.600 0.115 0.000 0.982 130 E CA -0.615 55.932 56.400 0.246 0.000 0.842 130 E CB 0.811 30.687 29.700 0.294 0.000 1.144 130 E HN 0.691 nan 8.360 nan 0.000 0.397 131 N N 1.721 120.463 118.700 0.070 0.000 2.688 131 N HA -0.210 4.531 4.740 0.001 0.000 0.258 131 N C -1.154 174.367 175.510 0.019 0.000 1.016 131 N CA 0.416 53.477 53.050 0.018 0.000 0.747 131 N CB -1.092 37.384 38.487 -0.018 0.000 0.895 131 N HN 0.396 nan 8.380 nan 0.000 0.543 132 I N -0.077 120.512 120.570 0.031 0.000 2.371 132 I HA 0.066 4.236 4.170 0.001 0.000 0.290 132 I C 0.667 176.778 176.117 -0.010 0.000 1.028 132 I CA -0.390 60.928 61.300 0.030 0.000 1.345 132 I CB 0.675 38.709 38.000 0.056 0.000 1.407 132 I HN 0.179 nan 8.210 nan 0.000 0.501 133 D N 6.342 126.736 120.400 -0.010 0.000 2.338 133 D HA 0.084 4.724 4.640 0.001 0.000 0.255 133 D C 0.523 176.780 176.300 -0.071 0.000 1.237 133 D CA 0.062 54.035 54.000 -0.045 0.000 0.883 133 D CB 1.306 42.095 40.800 -0.018 0.000 1.087 133 D HN 0.222 nan 8.370 nan 0.000 0.485 134 V N 3.355 123.159 119.914 -0.183 0.000 3.596 134 V HA 0.262 4.382 4.120 0.001 0.000 0.289 134 V C 1.787 177.709 176.094 -0.288 0.000 1.336 134 V CA 0.451 62.592 62.300 -0.265 0.000 1.137 134 V CB -0.164 31.373 31.823 -0.477 0.000 0.966 134 V HN 0.857 nan 8.190 nan 0.000 0.428 135 G N 2.053 110.756 108.800 -0.161 0.000 4.890 135 G HA2 -0.401 3.559 3.960 0.001 0.000 0.221 135 G HA3 -0.401 3.559 3.960 0.001 0.000 0.221 135 G C 0.683 175.595 174.900 0.019 0.000 1.472 135 G CA 0.632 45.728 45.100 -0.008 0.000 0.962 135 G HN 0.604 nan 8.290 nan 0.000 0.671 136 F N 1.859 121.831 119.950 0.037 0.000 2.710 136 F HA 0.569 5.096 4.527 0.001 0.000 0.298 136 F C 1.208 177.033 175.800 0.042 0.000 1.137 136 F CA 0.348 58.371 58.000 0.038 0.000 1.444 136 F CB -0.441 38.583 39.000 0.040 0.000 1.111 136 F HN 0.939 nan 8.300 nan 0.000 0.580 137 G N -0.077 108.477 108.800 -0.410 0.000 2.488 137 G HA2 0.423 4.384 3.960 0.001 0.000 0.301 137 G HA3 0.423 4.384 3.960 0.001 0.000 0.301 137 G C -1.759 172.991 174.900 -0.250 0.000 1.339 137 G CA -1.262 43.701 45.100 -0.229 0.000 0.803 137 G HN -0.103 nan 8.290 nan 0.000 0.482 138 K N 0.276 120.600 120.400 -0.127 0.000 2.235 138 K HA 0.540 4.860 4.320 0.001 0.000 0.266 138 K C -1.122 175.451 176.600 -0.044 0.000 0.980 138 K CA -0.698 55.538 56.287 -0.084 0.000 0.849 138 K CB 2.302 34.771 32.500 -0.051 0.000 1.098 138 K HN 0.381 nan 8.250 nan 0.000 0.445 139 L N 1.535 122.741 121.223 -0.028 0.000 2.282 139 L HA 0.354 4.694 4.340 0.001 0.000 0.288 139 L C -0.682 176.236 176.870 0.079 0.000 1.033 139 L CA 0.226 55.085 54.840 0.032 0.000 0.807 139 L CB 1.489 43.563 42.059 0.026 0.000 1.209 139 L HN 0.470 nan 8.230 nan 0.000 0.423 140 S N 5.660 121.435 115.700 0.126 0.000 2.500 140 S HA 0.736 5.207 4.470 0.001 0.000 0.301 140 S C -0.848 173.881 174.600 0.216 0.000 1.092 140 S CA -0.577 57.734 58.200 0.184 0.000 1.030 140 S CB 1.428 64.754 63.200 0.211 0.000 1.031 140 S HN 0.540 nan 8.310 nan 0.000 0.483 141 L N 2.392 123.739 121.223 0.207 0.000 2.356 141 L HA 0.882 5.223 4.340 0.001 0.000 0.277 141 L C -0.257 176.676 176.870 0.106 0.000 0.996 141 L CA -0.591 54.344 54.840 0.158 0.000 0.822 141 L CB 1.628 43.755 42.059 0.113 0.000 1.256 141 L HN 0.767 nan 8.230 nan 0.000 0.413 142 A N 2.721 125.569 122.820 0.047 0.000 2.549 142 A HA 0.937 5.258 4.320 0.001 0.000 0.297 142 A C -1.297 176.226 177.584 -0.102 0.000 1.061 142 A CA -0.493 51.470 52.037 -0.123 0.000 0.690 142 A CB 2.015 20.805 19.000 -0.350 0.000 1.287 142 A HN 0.729 nan 8.150 nan 0.000 0.402 143 A N 1.230 123.936 122.820 -0.191 0.000 2.332 143 A HA 0.827 5.148 4.320 0.001 0.000 0.300 143 A C 0.036 177.465 177.584 -0.258 0.000 1.153 143 A CA 0.184 52.101 52.037 -0.199 0.000 0.764 143 A CB 0.657 19.614 19.000 -0.070 0.000 1.174 143 A HN 1.893 nan 8.150 nan 0.000 0.467 144 T N -0.364 114.025 114.554 -0.275 0.000 2.883 144 T HA 0.869 5.220 4.350 0.001 0.000 0.284 144 T C -0.265 174.299 174.700 -0.227 0.000 1.041 144 T CA -0.839 61.146 62.100 -0.192 0.000 1.007 144 T CB 1.610 70.412 68.868 -0.111 0.000 1.220 144 T HN 0.962 nan 8.240 nan 0.000 0.552 145 R N -0.155 120.253 120.500 -0.154 0.000 2.771 145 R HA 0.745 5.086 4.340 0.001 0.000 0.274 145 R C -1.203 175.029 176.300 -0.112 0.000 0.987 145 R CA -0.188 55.822 56.100 -0.150 0.000 0.908 145 R CB 1.954 32.180 30.300 -0.123 0.000 1.213 145 R HN 1.142 nan 8.270 nan 0.000 0.468 146 S N 0.702 116.333 115.700 -0.116 0.000 2.671 146 S HA 0.801 5.271 4.470 0.001 0.000 0.277 146 S C -1.274 173.275 174.600 -0.085 0.000 1.165 146 S CA -0.416 57.730 58.200 -0.091 0.000 0.822 146 S CB 1.525 64.669 63.200 -0.094 0.000 1.150 146 S HN 1.090 nan 8.310 nan 0.000 0.479 147 S N -0.424 115.235 115.700 -0.069 0.000 2.533 147 S HA 0.564 5.034 4.470 0.001 0.000 0.271 147 S C -1.421 173.151 174.600 -0.046 0.000 1.143 147 S CA -0.826 57.338 58.200 -0.060 0.000 0.891 147 S CB 1.304 64.469 63.200 -0.059 0.000 1.105 147 S HN 0.781 nan 8.310 nan 0.000 0.468 148 E N 1.234 121.414 120.200 -0.033 0.000 2.349 148 E HA 0.535 4.886 4.350 0.001 0.000 0.265 148 E C 1.314 177.912 176.600 -0.003 0.000 1.064 148 E CA -0.247 56.148 56.400 -0.009 0.000 0.886 148 E CB 1.058 30.763 29.700 0.009 0.000 1.036 148 E HN 0.785 nan 8.360 nan 0.000 0.413 149 A N 2.637 125.459 122.820 0.003 0.000 1.940 149 A HA -0.054 4.266 4.320 0.001 0.000 0.219 149 A C 1.086 178.605 177.584 -0.110 0.000 1.176 149 A CA 1.930 53.923 52.037 -0.072 0.000 0.631 149 A CB -0.365 18.565 19.000 -0.116 0.000 0.814 149 A HN 0.670 nan 8.150 nan 0.000 0.446 150 G N -5.030 103.826 108.800 0.094 0.000 3.107 150 G HA2 0.524 4.484 3.960 0.001 0.000 0.233 150 G HA3 0.524 4.484 3.960 0.001 0.000 0.233 150 G C 0.739 175.799 174.900 0.268 0.000 1.168 150 G CA 0.355 45.573 45.100 0.196 0.000 0.801 150 G HN 1.481 nan 8.290 nan 0.000 0.605 151 G N -1.560 107.435 108.800 0.325 0.000 2.218 151 G HA2 -0.081 3.879 3.960 0.001 0.000 0.216 151 G HA3 -0.081 3.879 3.960 0.001 0.000 0.216 151 G C 0.313 175.360 174.900 0.245 0.000 0.994 151 G CA 0.732 45.960 45.100 0.214 0.000 0.637 151 G HN 1.307 nan 8.290 nan 0.000 0.505 152 S N -0.283 115.536 115.700 0.198 0.000 2.532 152 S HA 0.777 5.247 4.470 0.001 0.000 0.301 152 S C -0.326 174.214 174.600 -0.101 0.000 1.083 152 S CA 0.035 58.330 58.200 0.158 0.000 1.025 152 S CB 1.992 65.339 63.200 0.244 0.000 1.056 152 S HN 0.602 nan 8.310 nan 0.000 0.494 153 S N 1.069 116.505 115.700 -0.439 0.000 2.473 153 S HA 0.327 4.797 4.470 0.001 0.000 0.307 153 S C 1.218 175.271 174.600 -0.912 0.000 1.094 153 S CA -0.633 57.006 58.200 -0.934 0.000 1.070 153 S CB 0.992 63.178 63.200 -1.690 0.000 1.019 153 S HN 0.795 nan 8.310 nan 0.000 0.480 154 S N 3.675 118.768 115.700 -1.012 0.000 2.442 154 S HA 0.063 4.534 4.470 0.001 0.000 0.236 154 S C 0.365 174.630 174.600 -0.558 0.000 1.007 154 S CA 0.548 58.096 58.200 -1.086 0.000 0.965 154 S CB -0.671 62.240 63.200 -0.480 0.000 0.773 154 S HN 0.747 nan 8.310 nan 0.000 0.504 155 F N -1.091 118.616 119.950 -0.405 0.000 2.715 155 F HA 0.876 5.403 4.527 0.001 0.000 0.318 155 F C -0.578 175.103 175.800 -0.199 0.000 1.141 155 F CA -1.805 56.053 58.000 -0.236 0.000 0.950 155 F CB 0.885 39.785 39.000 -0.166 0.000 1.374 155 F HN 0.012 nan 8.300 nan 0.000 0.477 156 A N 1.520 124.461 122.820 0.203 0.000 2.362 156 A HA 0.606 4.926 4.320 0.001 0.000 0.276 156 A C -0.134 177.648 177.584 0.330 0.000 1.153 156 A CA 0.153 52.276 52.037 0.144 0.000 0.813 156 A CB -0.030 19.052 19.000 0.137 0.000 1.081 156 A HN 0.976 nan 8.150 nan 0.000 0.507 157 S N 1.302 117.113 115.700 0.185 0.000 2.632 157 S HA 0.496 4.966 4.470 0.001 0.000 0.289 157 S C 0.265 175.034 174.600 0.282 0.000 1.115 157 S CA -0.781 57.600 58.200 0.303 0.000 0.889 157 S CB 1.187 64.530 63.200 0.238 0.000 1.116 157 S HN 0.679 nan 8.310 nan 0.000 0.486 158 N N 1.481 120.308 118.700 0.212 0.000 2.197 158 N HA 0.112 4.852 4.740 0.001 0.000 0.201 158 N C -0.426 175.135 175.510 0.084 0.000 1.148 158 N CA 0.011 53.129 53.050 0.114 0.000 0.883 158 N CB 0.128 38.663 38.487 0.080 0.000 1.012 158 N HN 0.649 nan 8.380 nan 0.000 0.507 159 N N 1.613 120.411 118.700 0.163 0.000 2.414 159 N HA 0.130 4.871 4.740 0.001 0.000 0.256 159 N C 1.091 176.679 175.510 0.130 0.000 1.029 159 N CA -0.145 52.982 53.050 0.129 0.000 0.948 159 N CB 1.133 39.750 38.487 0.216 0.000 1.102 159 N HN 0.024 nan 8.380 nan 0.000 0.496 160 I N 4.278 124.785 120.570 -0.106 0.000 2.335 160 I HA -0.291 3.879 4.170 0.001 0.000 0.251 160 I C 0.776 176.915 176.117 0.037 0.000 1.129 160 I CA 1.358 62.558 61.300 -0.167 0.000 1.402 160 I CB -0.006 37.783 38.000 -0.351 0.000 1.069 160 I HN 0.663 nan 8.210 nan 0.000 0.424 161 Y N 0.276 120.676 120.300 0.166 0.000 2.716 161 Y HA -0.175 4.376 4.550 0.001 0.000 0.302 161 Y C 1.916 177.920 175.900 0.172 0.000 1.160 161 Y CA 0.542 58.748 58.100 0.176 0.000 1.362 161 Y CB -0.780 37.789 38.460 0.183 0.000 0.988 161 Y HN 0.247 nan 8.280 nan 0.000 0.546 162 D N -1.835 118.750 120.400 0.309 0.000 2.346 162 D HA -0.046 4.594 4.640 0.001 0.000 0.206 162 D C -0.156 176.045 176.300 -0.165 0.000 1.001 162 D CA 0.462 54.498 54.000 0.059 0.000 0.871 162 D CB -0.057 40.679 40.800 -0.106 0.000 0.943 162 D HN 0.253 nan 8.370 nan 0.000 0.518 163 Y N 0.993 121.276 120.300 -0.028 0.000 2.667 163 Y HA 0.131 4.681 4.550 0.001 0.000 0.340 163 Y C 1.413 177.407 175.900 0.156 0.000 1.303 163 Y CA -0.076 58.018 58.100 -0.009 0.000 1.769 163 Y CB -0.208 38.223 38.460 -0.047 0.000 1.804 163 Y HN -0.155 nan 8.280 nan 0.000 0.451 164 T N -4.024 110.643 114.554 0.187 0.000 3.044 164 T HA 0.157 4.507 4.350 0.001 0.000 0.260 164 T C 0.364 175.115 174.700 0.087 0.000 1.019 164 T CA -0.436 61.808 62.100 0.241 0.000 0.921 164 T CB 0.044 69.008 68.868 0.159 0.000 1.053 164 T HN 0.211 nan 8.240 nan 0.000 0.533 165 N N 3.234 121.985 118.700 0.085 0.000 2.497 165 N HA 0.117 4.858 4.740 0.001 0.000 0.271 165 N C -0.102 175.448 175.510 0.067 0.000 1.142 165 N CA -0.059 53.042 53.050 0.084 0.000 0.965 165 N CB 1.292 39.901 38.487 0.202 0.000 1.077 165 N HN 0.569 nan 8.380 nan 0.000 0.462 166 E N 0.824 121.027 120.200 0.006 0.000 2.452 166 E HA -0.051 4.299 4.350 0.001 0.000 0.261 166 E C -0.482 176.110 176.600 -0.014 0.000 0.987 166 E CA 0.285 56.675 56.400 -0.017 0.000 0.926 166 E CB 0.550 30.220 29.700 -0.050 0.000 0.934 166 E HN 0.446 nan 8.360 nan 0.000 0.452 167 T N 2.596 117.145 114.554 -0.007 0.000 2.815 167 T HA 0.574 4.924 4.350 0.001 0.000 0.289 167 T C -0.486 174.187 174.700 -0.045 0.000 1.000 167 T CA -0.400 61.687 62.100 -0.021 0.000 0.958 167 T CB 0.990 69.868 68.868 0.016 0.000 0.944 167 T HN 0.549 nan 8.240 nan 0.000 0.442 168 A N 4.810 127.591 122.820 -0.064 0.000 2.462 168 A HA 0.556 4.877 4.320 0.001 0.000 0.243 168 A C 0.117 177.651 177.584 -0.082 0.000 1.076 168 A CA -0.297 51.695 52.037 -0.075 0.000 0.773 168 A CB -0.219 18.733 19.000 -0.079 0.000 1.010 168 A HN 0.904 nan 8.150 nan 0.000 0.493 169 N N 1.060 119.696 118.700 -0.106 0.000 2.258 169 N HA 0.488 5.228 4.740 0.001 0.000 0.299 169 N C -1.742 173.650 175.510 -0.197 0.000 1.047 169 N CA -0.545 52.422 53.050 -0.140 0.000 0.814 169 N CB 1.769 40.172 38.487 -0.140 0.000 1.413 169 N HN 0.563 nan 8.380 nan 0.000 0.478 170 D N 0.549 120.791 120.400 -0.262 0.000 2.185 170 D HA 0.468 5.108 4.640 0.001 0.000 0.247 170 D C -0.630 175.264 176.300 -0.677 0.000 1.027 170 D CA -0.260 53.464 54.000 -0.459 0.000 0.861 170 D CB 2.045 42.578 40.800 -0.446 0.000 1.202 170 D HN 0.037 nan 8.370 nan 0.000 0.453 171 V N 2.189 121.636 119.914 -0.777 0.000 2.604 171 V HA 0.467 4.587 4.120 0.001 0.000 0.305 171 V C -0.811 174.771 176.094 -0.853 0.000 1.043 171 V CA -0.789 61.118 62.300 -0.656 0.000 0.888 171 V CB 1.348 32.971 31.823 -0.333 0.000 0.995 171 V HN 0.328 nan 8.190 nan 0.000 0.429 172 F N 2.603 122.516 119.950 -0.061 0.000 2.460 172 F HA 0.484 5.011 4.527 0.001 0.000 0.341 172 F C 0.110 175.941 175.800 0.051 0.000 1.130 172 F CA -0.642 57.361 58.000 0.005 0.000 0.962 172 F CB 1.393 40.426 39.000 0.055 0.000 1.171 172 F HN 0.455 nan 8.300 nan 0.000 0.436 173 D N 2.940 123.451 120.400 0.186 0.000 2.256 173 D HA 0.619 5.259 4.640 0.001 0.000 0.246 173 D C -1.496 174.951 176.300 0.245 0.000 1.042 173 D CA -0.278 53.850 54.000 0.213 0.000 0.841 173 D CB 2.539 43.433 40.800 0.156 0.000 1.223 173 D HN 0.334 nan 8.370 nan 0.000 0.470 174 V N 4.100 124.190 119.914 0.294 0.000 2.623 174 V HA 0.497 4.617 4.120 0.001 0.000 0.304 174 V C -0.432 175.854 176.094 0.320 0.000 1.054 174 V CA -0.673 61.791 62.300 0.274 0.000 0.882 174 V CB 2.085 34.062 31.823 0.256 0.000 1.002 174 V HN 0.533 nan 8.190 nan 0.000 0.424 175 R N 3.507 124.175 120.500 0.281 0.000 2.744 175 R HA 0.796 5.136 4.340 0.001 0.000 0.279 175 R C -1.671 174.755 176.300 0.211 0.000 0.977 175 R CA -0.805 55.474 56.100 0.299 0.000 0.906 175 R CB 2.421 32.873 30.300 0.253 0.000 1.197 175 R HN 0.493 nan 8.270 nan 0.000 0.463 176 L N 1.744 123.095 121.223 0.213 0.000 2.457 176 L HA 0.762 5.102 4.340 0.001 0.000 0.266 176 L C -1.252 175.706 176.870 0.147 0.000 0.979 176 L CA -0.090 54.837 54.840 0.145 0.000 0.857 176 L CB 1.418 43.579 42.059 0.169 0.000 1.213 176 L HN 0.848 nan 8.230 nan 0.000 0.418 177 A N 2.784 125.658 122.820 0.091 0.000 2.468 177 A HA 0.692 5.013 4.320 0.001 0.000 0.270 177 A C -0.011 177.602 177.584 0.048 0.000 1.217 177 A CA -0.285 51.806 52.037 0.090 0.000 0.908 177 A CB 0.826 19.868 19.000 0.070 0.000 1.423 177 A HN 0.686 nan 8.150 nan 0.000 0.459 178 Q N -1.416 118.409 119.800 0.042 0.000 2.457 178 Q HA -0.191 4.149 4.340 0.001 0.000 0.283 178 Q C -0.815 175.214 176.000 0.048 0.000 1.234 178 Q CA 0.986 56.801 55.803 0.020 0.000 0.877 178 Q CB -1.546 27.184 28.738 -0.014 0.000 1.250 178 Q HN 0.644 nan 8.270 nan 0.000 0.481 179 M N 0.717 120.373 119.600 0.092 0.000 2.144 179 M HA 0.168 4.648 4.480 0.001 0.000 0.356 179 M C 0.070 176.437 176.300 0.112 0.000 1.217 179 M CA 0.062 55.445 55.300 0.138 0.000 1.087 179 M CB 0.868 33.591 32.600 0.204 0.000 1.609 179 M HN -0.060 nan 8.290 nan 0.000 0.467 180 E N 3.167 123.428 120.200 0.101 0.000 1.802 180 E HA 0.098 4.449 4.350 0.001 0.000 0.265 180 E C 0.726 177.387 176.600 0.103 0.000 1.168 180 E CA -0.071 56.379 56.400 0.084 0.000 1.033 180 E CB -0.079 29.660 29.700 0.065 0.000 1.095 180 E HN 0.547 nan 8.360 nan 0.000 0.436 181 I N 1.702 122.351 120.570 0.131 0.000 2.423 181 I HA -0.183 3.987 4.170 0.001 0.000 0.254 181 I C 0.850 177.037 176.117 0.117 0.000 1.151 181 I CA 1.321 62.702 61.300 0.134 0.000 1.421 181 I CB -1.093 37.018 38.000 0.184 0.000 1.079 181 I HN 0.541 nan 8.210 nan 0.000 0.431 182 N N 0.479 119.257 118.700 0.130 0.000 3.277 182 N HA 0.238 4.979 4.740 0.001 0.000 0.278 182 N C -3.198 172.366 175.510 0.089 0.000 1.544 182 N CA -1.009 52.104 53.050 0.106 0.000 0.869 182 N CB 1.358 39.918 38.487 0.122 0.000 1.584 182 N HN -0.268 nan 8.380 nan 0.000 0.564 183 P HA 0.204 nan 4.420 nan 0.000 0.281 183 P C 0.625 177.964 177.300 0.065 0.000 1.286 183 P CA 0.851 63.986 63.100 0.058 0.000 0.772 183 P CB 0.256 31.984 31.700 0.046 0.000 0.862 184 G N 2.284 111.115 108.800 0.052 0.000 2.143 184 G HA2 -0.113 3.848 3.960 0.001 0.000 0.249 184 G HA3 -0.113 3.848 3.960 0.001 0.000 0.249 184 G C 0.307 175.230 174.900 0.038 0.000 0.981 184 G CA -0.219 44.909 45.100 0.048 0.000 0.665 184 G HN 0.931 nan 8.290 nan 0.000 0.528 185 G N -0.448 108.373 108.800 0.036 0.000 2.687 185 G HA2 0.803 4.763 3.960 0.001 0.000 0.301 185 G HA3 0.803 4.763 3.960 0.001 0.000 0.301 185 G C -0.371 174.487 174.900 -0.070 0.000 1.416 185 G CA 0.586 45.655 45.100 -0.052 0.000 1.005 185 G HN 0.943 nan 8.290 nan 0.000 0.509 186 T N -0.531 113.902 114.554 -0.201 0.000 2.942 186 T HA 0.734 5.085 4.350 0.001 0.000 0.289 186 T C -0.851 173.822 174.700 -0.045 0.000 1.044 186 T CA -0.810 61.249 62.100 -0.068 0.000 1.023 186 T CB 2.252 71.094 68.868 -0.043 0.000 1.123 186 T HN 0.549 nan 8.240 nan 0.000 0.512 187 L N 0.931 122.209 121.223 0.092 0.000 2.381 187 L HA 0.645 4.985 4.340 0.001 0.000 0.274 187 L C -0.637 176.338 176.870 0.174 0.000 0.988 187 L CA -0.499 54.444 54.840 0.172 0.000 0.824 187 L CB 1.834 44.022 42.059 0.214 0.000 1.263 187 L HN 0.890 nan 8.230 nan 0.000 0.410 188 E N 3.730 124.056 120.200 0.211 0.000 2.212 188 E HA 0.613 4.963 4.350 0.001 0.000 0.268 188 E C -1.847 174.907 176.600 0.256 0.000 0.902 188 E CA -0.772 55.779 56.400 0.251 0.000 0.779 188 E CB 1.570 31.470 29.700 0.334 0.000 1.172 188 E HN 0.542 nan 8.360 nan 0.000 0.409 189 L N 2.928 124.310 121.223 0.265 0.000 2.381 189 L HA 0.668 5.008 4.340 0.001 0.000 0.274 189 L C -0.234 176.822 176.870 0.309 0.000 0.988 189 L CA -0.236 54.743 54.840 0.231 0.000 0.824 189 L CB 1.837 44.019 42.059 0.205 0.000 1.263 189 L HN 0.639 nan 8.230 nan 0.000 0.410 190 G N 2.362 111.308 108.800 0.243 0.000 2.563 190 G HA2 0.700 4.660 3.960 0.001 0.000 0.302 190 G HA3 0.700 4.660 3.960 0.001 0.000 0.302 190 G C -1.896 173.187 174.900 0.304 0.000 1.301 190 G CA -0.528 44.804 45.100 0.386 0.000 0.965 190 G HN 0.294 nan 8.290 nan 0.000 0.480 191 V N 1.590 121.733 119.914 0.382 0.000 2.525 191 V HA 0.411 4.532 4.120 0.001 0.000 0.299 191 V C -1.305 174.980 176.094 0.318 0.000 1.034 191 V CA -0.876 61.657 62.300 0.388 0.000 0.863 191 V CB 1.934 34.067 31.823 0.518 0.000 0.999 191 V HN 0.718 nan 8.190 nan 0.000 0.423 192 D N 3.302 123.804 120.400 0.169 0.000 2.391 192 D HA 0.345 4.985 4.640 0.001 0.000 0.245 192 D C -1.441 174.795 176.300 -0.106 0.000 1.069 192 D CA -0.204 53.847 54.000 0.086 0.000 0.831 192 D CB 2.657 43.497 40.800 0.066 0.000 1.204 192 D HN 0.526 nan 8.370 nan 0.000 0.503 193 Y N 1.459 121.586 120.300 -0.288 0.000 2.338 193 Y HA 0.495 5.046 4.550 0.001 0.000 0.328 193 Y C -0.313 175.397 175.900 -0.316 0.000 0.965 193 Y CA -0.807 56.903 58.100 -0.651 0.000 1.208 193 Y CB 1.334 39.336 38.460 -0.763 0.000 1.132 193 Y HN 0.357 nan 8.280 nan 0.000 0.469 194 G N 5.858 114.060 108.800 -0.997 0.000 2.400 194 G HA2 0.697 4.657 3.960 0.001 0.000 0.333 194 G HA3 0.697 4.657 3.960 0.001 0.000 0.333 194 G C -1.527 172.889 174.900 -0.807 0.000 1.143 194 G CA -1.202 43.451 45.100 -0.745 0.000 0.914 194 G HN 0.859 nan 8.290 nan 0.000 0.480 195 R N -0.048 120.159 120.500 -0.489 0.000 2.629 195 R HA 0.693 5.034 4.340 0.001 0.000 0.266 195 R C -0.643 175.565 176.300 -0.153 0.000 1.051 195 R CA -0.832 55.089 56.100 -0.297 0.000 0.895 195 R CB 1.210 31.392 30.300 -0.197 0.000 1.246 195 R HN 0.784 nan 8.270 nan 0.000 0.459 196 A N 2.083 124.846 122.820 -0.094 0.000 2.440 196 A HA 0.236 4.556 4.320 0.001 0.000 0.251 196 A C -0.510 177.058 177.584 -0.028 0.000 1.089 196 A CA -0.330 51.672 52.037 -0.059 0.000 0.779 196 A CB 0.214 19.193 19.000 -0.035 0.000 1.022 196 A HN 0.708 nan 8.150 nan 0.000 0.492 197 N N 2.729 121.410 118.700 -0.031 0.000 2.706 197 N HA 0.374 5.114 4.740 0.001 0.000 0.240 197 N C -1.079 174.412 175.510 -0.031 0.000 1.039 197 N CA -0.280 52.762 53.050 -0.014 0.000 0.888 197 N CB 0.068 38.545 38.487 -0.016 0.000 1.128 197 N HN 0.555 nan 8.380 nan 0.000 0.512 198 L N 2.487 123.703 121.223 -0.013 0.000 2.426 198 L HA 0.350 4.690 4.340 0.001 0.000 0.271 198 L C 1.370 178.195 176.870 -0.074 0.000 1.169 198 L CA -0.449 54.376 54.840 -0.026 0.000 0.836 198 L CB 0.607 42.693 42.059 0.045 0.000 1.112 198 L HN 0.265 nan 8.230 nan 0.000 0.465 199 R N 0.824 121.191 120.500 -0.221 0.000 2.784 199 R HA 0.013 4.354 4.340 0.001 0.000 0.266 199 R C -0.338 175.915 176.300 -0.078 0.000 1.044 199 R CA -0.697 55.235 56.100 -0.280 0.000 1.151 199 R CB 0.218 30.095 30.300 -0.705 0.000 1.037 199 R HN 0.501 nan 8.270 nan 0.000 0.478 200 D N 1.263 121.650 120.400 -0.022 0.000 2.487 200 D HA -0.087 4.554 4.640 0.001 0.000 0.243 200 D C 0.221 176.631 176.300 0.184 0.000 1.154 200 D CA 0.922 54.960 54.000 0.064 0.000 0.876 200 D CB 0.231 41.058 40.800 0.046 0.000 1.161 200 D HN 0.494 nan 8.370 nan 0.000 0.478 201 N N 1.384 120.189 118.700 0.175 0.000 2.984 201 N HA -0.236 4.504 4.740 0.001 0.000 0.227 201 N C -0.745 174.891 175.510 0.211 0.000 0.903 201 N CA 0.631 53.788 53.050 0.178 0.000 0.995 201 N CB -1.228 37.339 38.487 0.133 0.000 1.065 201 N HN 0.386 nan 8.380 nan 0.000 0.585 202 Y N 0.914 121.203 120.300 -0.019 0.000 2.295 202 Y HA 0.534 5.084 4.550 0.001 0.000 0.331 202 Y C 1.358 177.241 175.900 -0.029 0.000 1.311 202 Y CA 0.096 58.167 58.100 -0.049 0.000 1.430 202 Y CB 0.699 39.127 38.460 -0.053 0.000 1.339 202 Y HN -0.150 nan 8.280 nan 0.000 0.552 203 R N 0.635 121.176 120.500 0.069 0.000 2.771 203 R HA 0.608 4.949 4.340 0.001 0.000 0.274 203 R C -1.550 174.877 176.300 0.211 0.000 0.987 203 R CA -0.944 55.217 56.100 0.101 0.000 0.908 203 R CB 2.106 32.446 30.300 0.066 0.000 1.213 203 R HN 0.545 nan 8.270 nan 0.000 0.468 204 L N 1.299 122.651 121.223 0.215 0.000 2.352 204 L HA 0.449 4.790 4.340 0.001 0.000 0.269 204 L C 0.395 177.337 176.870 0.119 0.000 1.034 204 L CA -1.166 53.800 54.840 0.209 0.000 0.806 204 L CB 1.663 43.766 42.059 0.073 0.000 1.244 204 L HN 0.307 nan 8.230 nan 0.000 0.447 205 V N 0.890 120.659 119.914 -0.242 0.000 3.083 205 V HA -0.152 3.968 4.120 0.001 0.000 0.303 205 V C 0.172 176.127 176.094 -0.233 0.000 1.151 205 V CA 0.413 62.356 62.300 -0.594 0.000 1.275 205 V CB 0.546 32.012 31.823 -0.594 0.000 0.950 205 V HN 0.664 nan 8.190 nan 0.000 0.506 206 D N 2.626 122.908 120.400 -0.197 0.000 2.425 206 D HA 0.412 5.052 4.640 0.001 0.000 0.247 206 D C 0.933 177.174 176.300 -0.100 0.000 1.147 206 D CA 1.505 55.449 54.000 -0.094 0.000 0.879 206 D CB 0.959 41.718 40.800 -0.067 0.000 1.179 206 D HN 0.913 nan 8.370 nan 0.000 0.456 207 G N 1.998 110.760 108.800 -0.062 0.000 2.176 207 G HA2 -0.202 3.758 3.960 0.001 0.000 0.253 207 G HA3 -0.202 3.758 3.960 0.001 0.000 0.253 207 G C 0.536 175.393 174.900 -0.072 0.000 0.979 207 G CA 0.245 45.309 45.100 -0.060 0.000 0.641 207 G HN 0.855 nan 8.290 nan 0.000 0.530 208 A N 0.730 123.499 122.820 -0.085 0.000 2.498 208 A HA 0.622 4.942 4.320 0.001 0.000 0.239 208 A C 1.868 179.422 177.584 -0.050 0.000 1.068 208 A CA 1.316 53.300 52.037 -0.088 0.000 0.766 208 A CB 0.260 19.210 19.000 -0.083 0.000 1.003 208 A HN 1.738 nan 8.150 nan 0.000 0.497 209 S N 1.961 117.627 115.700 -0.055 0.000 2.383 209 S HA -0.247 4.223 4.470 0.001 0.000 0.229 209 S C 1.557 176.156 174.600 -0.001 0.000 1.030 209 S CA 1.643 59.831 58.200 -0.020 0.000 1.002 209 S CB -0.471 62.712 63.200 -0.029 0.000 0.829 209 S HN 1.199 nan 8.310 nan 0.000 0.467 210 K N 0.751 121.140 120.400 -0.019 0.000 8.623 210 K HA -0.331 3.989 4.320 0.001 0.000 0.494 210 K C -0.419 176.158 176.600 -0.038 0.000 0.366 210 K CA 2.215 58.495 56.287 -0.011 0.000 1.954 210 K CB -2.012 30.502 32.500 0.022 0.000 0.699 210 K HN 0.736 nan 8.250 nan 0.000 0.968 211 D N -1.369 119.017 120.400 -0.022 0.000 2.798 211 D HA 0.710 5.350 4.640 0.001 0.000 0.308 211 D C 0.155 176.417 176.300 -0.063 0.000 1.187 211 D CA 0.130 54.069 54.000 -0.101 0.000 1.033 211 D CB 1.361 42.130 40.800 -0.052 0.000 1.445 211 D HN 0.510 nan 8.370 nan 0.000 0.550 212 G N -2.388 106.303 108.800 -0.180 0.000 2.342 212 G HA2 0.458 4.419 3.960 0.001 0.000 0.297 212 G HA3 0.458 4.419 3.960 0.001 0.000 0.297 212 G C -2.323 172.384 174.900 -0.321 0.000 1.313 212 G CA -1.075 43.996 45.100 -0.048 0.000 0.830 212 G HN 0.332 nan 8.290 nan 0.000 0.506 213 W N -1.002 120.276 121.300 -0.037 0.000 3.033 213 W HA 0.744 5.404 4.660 0.001 0.000 0.336 213 W C -0.887 175.394 176.519 -0.396 0.000 1.173 213 W CA -0.755 56.462 57.345 -0.213 0.000 1.185 213 W CB 2.358 31.619 29.460 -0.331 0.000 1.425 213 W HN 0.498 nan 8.180 nan 0.000 0.536 214 L N 2.724 123.764 121.223 -0.305 0.000 2.410 214 L HA 0.730 5.070 4.340 0.001 0.000 0.270 214 L C -1.853 174.743 176.870 -0.456 0.000 0.983 214 L CA -0.860 53.802 54.840 -0.297 0.000 0.822 214 L CB 0.779 42.739 42.059 -0.165 0.000 1.285 214 L HN 0.246 nan 8.230 nan 0.000 0.409 215 F N 2.561 122.577 119.950 0.109 0.000 2.493 215 F HA 0.736 5.263 4.527 0.001 0.000 0.329 215 F C 0.202 175.937 175.800 -0.109 0.000 1.126 215 F CA -0.492 57.546 58.000 0.063 0.000 0.937 215 F CB 2.429 41.510 39.000 0.134 0.000 1.146 215 F HN 0.374 nan 8.300 nan 0.000 0.442 216 T N 2.220 116.711 114.554 -0.106 0.000 2.876 216 T HA 0.842 5.192 4.350 0.001 0.000 0.289 216 T C -1.045 173.559 174.700 -0.161 0.000 1.014 216 T CA -0.836 61.050 62.100 -0.356 0.000 0.986 216 T CB 1.864 70.026 68.868 -1.176 0.000 1.021 216 T HN 0.709 nan 8.240 nan 0.000 0.458 217 A N 2.380 125.148 122.820 -0.087 0.000 2.414 217 A HA 0.712 5.032 4.320 0.001 0.000 0.286 217 A C -0.795 176.834 177.584 0.075 0.000 1.073 217 A CA -0.679 51.384 52.037 0.043 0.000 0.727 217 A CB 1.153 20.202 19.000 0.081 0.000 1.215 217 A HN 0.798 nan 8.150 nan 0.000 0.430 218 E N 1.956 122.260 120.200 0.173 0.000 2.199 218 E HA 0.373 4.723 4.350 0.001 0.000 0.265 218 E C -1.424 175.354 176.600 0.297 0.000 0.882 218 E CA -0.541 56.004 56.400 0.242 0.000 0.759 218 E CB 1.098 31.010 29.700 0.355 0.000 1.148 218 E HN 0.783 nan 8.360 nan 0.000 0.412 219 H N 3.612 122.822 119.070 0.235 0.000 2.539 219 H HA 0.361 4.917 4.556 0.001 0.000 0.332 219 H C -1.334 174.122 175.328 0.213 0.000 1.031 219 H CA -0.342 55.840 56.048 0.222 0.000 1.206 219 H CB 1.371 31.281 29.762 0.245 0.000 1.446 219 H HN 0.436 nan 8.280 nan 0.000 0.496 220 T N 4.864 119.236 114.554 -0.302 0.000 2.771 220 T HA 0.154 4.505 4.350 0.001 0.000 0.281 220 T C -0.210 174.327 174.700 -0.272 0.000 0.982 220 T CA -0.702 61.315 62.100 -0.138 0.000 0.978 220 T CB 1.612 70.434 68.868 -0.076 0.000 0.930 220 T HN 0.504 nan 8.240 nan 0.000 0.447 221 Q N 2.010 121.820 119.800 0.017 0.000 2.325 221 Q HA 0.464 4.804 4.340 0.001 0.000 0.270 221 Q C -0.419 175.666 176.000 0.142 0.000 1.020 221 Q CA -0.359 55.500 55.803 0.093 0.000 0.785 221 Q CB 1.671 30.561 28.738 0.254 0.000 1.259 221 Q HN 0.639 nan 8.270 nan 0.000 0.452 222 S N 3.093 118.855 115.700 0.104 0.000 2.488 222 S HA 0.591 5.061 4.470 0.001 0.000 0.278 222 S C -0.727 173.941 174.600 0.115 0.000 1.259 222 S CA -0.175 58.096 58.200 0.118 0.000 1.061 222 S CB -0.122 63.123 63.200 0.075 0.000 0.910 222 S HN 0.484 nan 8.310 nan 0.000 0.491 223 V N 6.031 126.021 119.914 0.126 0.000 3.048 223 V HA 0.367 4.487 4.120 0.001 0.000 0.303 223 V C -0.012 176.139 176.094 0.095 0.000 1.214 223 V CA -1.012 61.348 62.300 0.099 0.000 0.984 223 V CB 1.805 33.688 31.823 0.100 0.000 1.054 223 V HN 0.951 nan 8.190 nan 0.000 0.430 224 L N 3.499 124.766 121.223 0.075 0.000 3.941 224 L HA -0.284 4.057 4.340 0.001 0.000 0.455 224 L C 1.146 178.070 176.870 0.091 0.000 1.179 224 L CA 1.063 55.946 54.840 0.072 0.000 0.782 224 L CB -1.426 40.673 42.059 0.066 0.000 1.679 224 L HN 0.994 nan 8.230 nan 0.000 0.871 225 K N -3.049 117.407 120.400 0.092 0.000 3.274 225 K HA -0.211 4.109 4.320 0.001 0.000 0.300 225 K C 0.800 177.486 176.600 0.143 0.000 1.230 225 K CA 0.903 57.251 56.287 0.103 0.000 0.884 225 K CB -1.561 30.995 32.500 0.093 0.000 1.242 225 K HN 0.775 nan 8.250 nan 0.000 0.467 226 G N 0.106 109.001 108.800 0.158 0.000 3.107 226 G HA2 0.767 4.727 3.960 0.001 0.000 0.233 226 G HA3 0.767 4.727 3.960 0.001 0.000 0.233 226 G C -1.031 174.028 174.900 0.265 0.000 1.168 226 G CA -0.345 44.888 45.100 0.222 0.000 0.801 226 G HN 0.239 nan 8.290 nan 0.000 0.605 227 F N -1.189 118.832 119.950 0.118 0.000 2.715 227 F HA 0.764 5.291 4.527 0.001 0.000 0.318 227 F C -1.241 174.620 175.800 0.102 0.000 1.141 227 F CA -1.535 56.510 58.000 0.074 0.000 0.950 227 F CB 2.072 41.075 39.000 0.005 0.000 1.374 227 F HN 0.529 nan 8.300 nan 0.000 0.477 228 N N 1.464 120.259 118.700 0.158 0.000 2.425 228 N HA 0.283 5.024 4.740 0.001 0.000 0.289 228 N C -2.117 173.544 175.510 0.252 0.000 1.074 228 N CA -0.564 52.551 53.050 0.108 0.000 0.905 228 N CB 2.293 40.910 38.487 0.218 0.000 1.586 228 N HN 0.721 nan 8.380 nan 0.000 0.490 229 K N 2.765 123.251 120.400 0.144 0.000 2.221 229 K HA 0.380 4.701 4.320 0.001 0.000 0.258 229 K C -1.196 175.563 176.600 0.265 0.000 0.944 229 K CA -0.573 55.824 56.287 0.184 0.000 0.823 229 K CB 2.007 34.530 32.500 0.038 0.000 1.113 229 K HN 0.458 nan 8.250 nan 0.000 0.431 230 F N 2.620 122.688 119.950 0.196 0.000 2.477 230 F HA 0.394 4.922 4.527 0.001 0.000 0.335 230 F C -1.139 174.747 175.800 0.142 0.000 1.130 230 F CA -0.765 57.332 58.000 0.161 0.000 0.948 230 F CB 1.158 40.249 39.000 0.151 0.000 1.154 230 F HN 0.153 nan 8.300 nan 0.000 0.439 231 V N 5.962 125.456 119.914 -0.701 0.000 2.769 231 V HA 0.733 4.853 4.120 0.001 0.000 0.312 231 V C -0.970 174.738 176.094 -0.644 0.000 1.061 231 V CA -0.963 61.034 62.300 -0.506 0.000 0.931 231 V CB 1.810 33.408 31.823 -0.375 0.000 1.010 231 V HN 0.603 nan 8.190 nan 0.000 0.433 232 V N 3.601 123.309 119.914 -0.343 0.000 2.569 232 V HA 0.524 4.645 4.120 0.001 0.000 0.301 232 V C -0.658 175.380 176.094 -0.093 0.000 1.044 232 V CA -0.446 61.730 62.300 -0.207 0.000 0.874 232 V CB 1.706 33.477 31.823 -0.087 0.000 1.002 232 V HN 0.978 nan 8.190 nan 0.000 0.424 233 Q N 2.683 122.453 119.800 -0.050 0.000 2.413 233 Q HA 0.667 5.007 4.340 0.001 0.000 0.276 233 Q C -1.945 174.149 176.000 0.156 0.000 1.099 233 Q CA -0.852 54.956 55.803 0.008 0.000 0.814 233 Q CB 3.441 32.134 28.738 -0.075 0.000 1.379 233 Q HN 0.745 nan 8.270 nan 0.000 0.436 234 Y N 0.525 120.872 120.300 0.079 0.000 2.361 234 Y HA 0.682 5.232 4.550 0.001 0.000 0.328 234 Y C -1.694 174.311 175.900 0.176 0.000 1.044 234 Y CA -0.526 57.665 58.100 0.150 0.000 1.085 234 Y CB 1.234 39.816 38.460 0.204 0.000 1.194 234 Y HN 0.720 nan 8.280 nan 0.000 0.438 235 A N 3.492 126.066 122.820 -0.410 0.000 2.354 235 A HA 0.875 5.196 4.320 0.001 0.000 0.321 235 A C -0.959 176.413 177.584 -0.354 0.000 1.125 235 A CA -0.747 51.123 52.037 -0.277 0.000 0.799 235 A CB 1.606 20.524 19.000 -0.136 0.000 1.293 235 A HN 0.626 nan 8.150 nan 0.000 0.452 236 T N 1.498 116.010 114.554 -0.071 0.000 2.841 236 T HA 0.517 4.867 4.350 0.001 0.000 0.285 236 T C -0.353 174.414 174.700 0.111 0.000 0.991 236 T CA 0.162 62.308 62.100 0.077 0.000 0.966 236 T CB 0.835 69.871 68.868 0.279 0.000 0.962 236 T HN 0.817 nan 8.240 nan 0.000 0.438 237 D N 1.872 122.353 120.400 0.135 0.000 4.049 237 D HA -0.280 4.361 4.640 0.001 0.000 0.154 237 D C 1.822 178.169 176.300 0.078 0.000 0.764 237 D CA 2.201 56.274 54.000 0.122 0.000 1.058 237 D CB -1.478 39.389 40.800 0.112 0.000 0.472 237 D HN 0.669 nan 8.370 nan 0.000 0.449 238 S N -0.330 115.381 115.700 0.018 0.000 2.493 238 S HA -0.135 4.335 4.470 0.001 0.000 0.243 238 S C 1.606 176.186 174.600 -0.033 0.000 0.991 238 S CA 1.484 59.667 58.200 -0.029 0.000 0.957 238 S CB -0.150 63.004 63.200 -0.077 0.000 0.756 238 S HN 0.399 nan 8.310 nan 0.000 0.521 239 M N 1.900 121.485 119.600 -0.025 0.000 2.428 239 M HA 0.130 4.610 4.480 0.001 0.000 0.239 239 M C 1.934 178.241 176.300 0.011 0.000 1.121 239 M CA 1.059 56.336 55.300 -0.038 0.000 1.019 239 M CB -0.908 31.644 32.600 -0.080 0.000 1.485 239 M HN 0.672 nan 8.290 nan 0.000 0.484 240 T N -2.084 112.517 114.554 0.079 0.000 3.043 240 T HA 0.004 4.355 4.350 0.001 0.000 0.263 240 T C 1.890 176.707 174.700 0.195 0.000 1.094 240 T CA 1.227 63.395 62.100 0.113 0.000 1.127 240 T CB -0.231 68.751 68.868 0.190 0.000 0.905 240 T HN 0.350 nan 8.240 nan 0.000 0.490 241 S N 1.402 117.254 115.700 0.254 0.000 2.345 241 S HA -0.077 4.394 4.470 0.001 0.000 0.219 241 S C 2.197 176.881 174.600 0.141 0.000 1.031 241 S CA 0.545 58.917 58.200 0.286 0.000 0.984 241 S CB -0.644 62.665 63.200 0.182 0.000 0.874 241 S HN 0.436 nan 8.310 nan 0.000 0.451 242 Q N 1.601 121.442 119.800 0.068 0.000 2.083 242 Q HA 0.038 4.378 4.340 0.001 0.000 0.198 242 Q C 1.476 177.500 176.000 0.039 0.000 0.969 242 Q CA 1.182 57.003 55.803 0.030 0.000 0.838 242 Q CB -0.662 28.070 28.738 -0.011 0.000 0.900 242 Q HN 0.770 nan 8.270 nan 0.000 0.436 243 G N 1.270 110.092 108.800 0.036 0.000 2.198 243 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 243 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 243 G C 0.485 175.406 174.900 0.035 0.000 1.025 243 G CA 0.935 46.059 45.100 0.040 0.000 0.769 243 G HN 0.439 nan 8.290 nan 0.000 0.507 244 K N -1.550 118.860 120.400 0.017 0.000 2.554 244 K HA 0.451 4.772 4.320 0.001 0.000 0.211 244 K C 1.552 178.213 176.600 0.101 0.000 1.226 244 K CA 0.374 56.683 56.287 0.037 0.000 1.025 244 K CB 1.382 33.869 32.500 -0.022 0.000 1.021 244 K HN 1.121 nan 8.250 nan 0.000 0.600 245 G N 1.159 109.988 108.800 0.049 0.000 2.318 245 G HA2 -0.128 3.832 3.960 0.001 0.000 0.172 245 G HA3 -0.128 3.832 3.960 0.001 0.000 0.172 245 G C -0.222 174.665 174.900 -0.022 0.000 1.002 245 G CA -0.626 44.516 45.100 0.069 0.000 0.697 245 G HN 0.015 nan 8.290 nan 0.000 0.483 246 L N 1.753 122.947 121.223 -0.048 0.000 2.325 246 L HA 0.719 5.059 4.340 0.001 0.000 0.279 246 L C 0.553 177.362 176.870 -0.102 0.000 1.054 246 L CA -0.670 54.116 54.840 -0.090 0.000 0.804 246 L CB 1.809 43.817 42.059 -0.085 0.000 1.200 246 L HN 0.179 nan 8.230 nan 0.000 0.436 247 S N 1.880 117.496 115.700 -0.140 0.000 2.541 247 S HA 0.342 4.812 4.470 0.001 0.000 0.283 247 S C -0.445 174.091 174.600 -0.108 0.000 1.196 247 S CA -0.477 57.637 58.200 -0.143 0.000 1.062 247 S CB 0.825 63.898 63.200 -0.210 0.000 1.009 247 S HN 0.633 nan 8.310 nan 0.000 0.502 248 Q N 3.143 122.892 119.800 -0.086 0.000 3.122 248 Q HA 0.293 4.633 4.340 0.001 0.000 0.282 248 Q C 0.858 176.811 176.000 -0.078 0.000 0.947 248 Q CA -0.431 55.328 55.803 -0.073 0.000 0.812 248 Q CB 0.929 29.632 28.738 -0.058 0.000 1.333 248 Q HN 0.912 nan 8.270 nan 0.000 0.430 249 G N 0.158 108.910 108.800 -0.080 0.000 2.813 249 G HA2 -0.161 3.799 3.960 0.001 0.000 0.209 249 G HA3 -0.161 3.799 3.960 0.001 0.000 0.209 249 G C 1.379 176.242 174.900 -0.061 0.000 1.150 249 G CA 0.771 45.828 45.100 -0.071 0.000 0.785 249 G HN 0.526 nan 8.290 nan 0.000 0.535 250 S N -0.313 115.354 115.700 -0.056 0.000 2.436 250 S HA 0.272 4.742 4.470 0.001 0.000 0.228 250 S C 2.055 176.592 174.600 -0.104 0.000 1.014 250 S CA 1.178 59.349 58.200 -0.047 0.000 0.950 250 S CB -0.327 62.873 63.200 -0.000 0.000 0.784 250 S HN 1.401 nan 8.310 nan 0.000 0.504 251 G N 0.399 109.118 108.800 -0.134 0.000 2.179 251 G HA2 -0.212 3.748 3.960 0.001 0.000 0.257 251 G HA3 -0.212 3.748 3.960 0.001 0.000 0.257 251 G C -0.025 174.727 174.900 -0.246 0.000 1.010 251 G CA 0.338 45.317 45.100 -0.201 0.000 0.736 251 G HN 0.836 nan 8.290 nan 0.000 0.513 252 V N -0.044 119.735 119.914 -0.225 0.000 2.495 252 V HA 0.887 5.007 4.120 0.001 0.000 0.298 252 V C 0.483 176.339 176.094 -0.397 0.000 1.031 252 V CA -0.139 61.960 62.300 -0.335 0.000 0.871 252 V CB 1.628 33.299 31.823 -0.253 0.000 0.988 252 V HN 1.136 nan 8.190 nan 0.000 0.432 253 A N 4.003 126.391 122.820 -0.720 0.000 2.387 253 A HA 1.007 5.327 4.320 0.001 0.000 0.303 253 A C -1.491 175.586 177.584 -0.846 0.000 1.145 253 A CA -0.489 51.145 52.037 -0.673 0.000 0.801 253 A CB 1.498 19.951 19.000 -0.912 0.000 1.342 253 A HN 0.589 nan 8.150 nan 0.000 0.440 254 F N 0.610 120.549 119.950 -0.019 0.000 2.556 254 F HA 0.407 4.934 4.527 0.001 0.000 0.314 254 F C 0.071 176.129 175.800 0.429 0.000 1.106 254 F CA -0.789 57.353 58.000 0.237 0.000 0.911 254 F CB 1.931 41.003 39.000 0.120 0.000 1.190 254 F HN 0.713 nan 8.300 nan 0.000 0.448 255 D N 0.153 120.906 120.400 0.587 0.000 2.398 255 D HA 0.084 4.724 4.640 0.001 0.000 0.247 255 D C 0.280 176.765 176.300 0.308 0.000 1.227 255 D CA -0.371 53.866 54.000 0.396 0.000 0.980 255 D CB 0.424 41.215 40.800 -0.014 0.000 1.106 255 D HN 0.564 nan 8.370 nan 0.000 0.493 256 N N -0.902 117.938 118.700 0.234 0.000 2.520 256 N HA -0.099 4.641 4.740 0.001 0.000 0.185 256 N C 0.397 175.984 175.510 0.130 0.000 1.068 256 N CA 0.565 53.711 53.050 0.159 0.000 0.911 256 N CB 0.032 38.595 38.487 0.127 0.000 0.961 256 N HN 0.498 nan 8.380 nan 0.000 0.446 257 E N 0.511 120.812 120.200 0.167 0.000 2.368 257 E HA 0.081 4.431 4.350 0.001 0.000 0.188 257 E C -0.186 176.415 176.600 0.002 0.000 1.061 257 E CA -0.043 56.438 56.400 0.135 0.000 0.933 257 E CB 0.359 30.225 29.700 0.277 0.000 1.091 257 E HN 0.060 nan 8.360 nan 0.000 0.458 258 K N -0.371 120.071 120.400 0.070 0.000 3.281 258 K HA -0.180 4.141 4.320 0.001 0.000 0.295 258 K C -0.833 175.820 176.600 0.088 0.000 1.233 258 K CA 0.699 57.019 56.287 0.055 0.000 0.866 258 K CB -2.012 30.430 32.500 -0.098 0.000 1.265 258 K HN 0.155 nan 8.250 nan 0.000 0.482 259 F N 1.080 121.189 119.950 0.264 0.000 2.411 259 F HA 0.402 4.930 4.527 0.001 0.000 0.350 259 F C 1.262 177.244 175.800 0.304 0.000 1.114 259 F CA -0.297 57.876 58.000 0.289 0.000 1.135 259 F CB 0.942 40.041 39.000 0.164 0.000 1.120 259 F HN 0.082 nan 8.300 nan 0.000 0.495 260 A N 4.688 127.759 122.820 0.418 0.000 2.407 260 A HA 0.497 4.818 4.320 0.001 0.000 0.248 260 A C -1.188 176.408 177.584 0.020 0.000 1.082 260 A CA -0.096 51.799 52.037 -0.237 0.000 0.785 260 A CB -0.125 18.726 19.000 -0.250 0.000 1.020 260 A HN 0.782 nan 8.150 nan 0.000 0.489 261 Y N 0.053 120.168 120.300 -0.308 0.000 2.571 261 Y HA 0.530 5.081 4.550 0.001 0.000 0.341 261 Y C -0.689 175.087 175.900 -0.207 0.000 1.076 261 Y CA -1.656 56.333 58.100 -0.185 0.000 1.029 261 Y CB 1.140 39.586 38.460 -0.024 0.000 1.308 261 Y HN 0.523 nan 8.280 nan 0.000 0.461 262 N N 3.374 122.037 118.700 -0.061 0.000 2.402 262 N HA 0.199 4.939 4.740 0.001 0.000 0.252 262 N C -0.045 175.373 175.510 -0.153 0.000 1.118 262 N CA -0.144 52.803 53.050 -0.172 0.000 0.945 262 N CB 0.561 38.956 38.487 -0.155 0.000 1.147 262 N HN 0.885 nan 8.380 nan 0.000 0.495 263 I N 0.099 120.500 120.570 -0.283 0.000 3.805 263 I HA 0.263 4.433 4.170 0.001 0.000 0.337 263 I C 0.483 176.350 176.117 -0.416 0.000 1.539 263 I CA -0.818 60.303 61.300 -0.299 0.000 1.176 263 I CB -0.422 37.385 38.000 -0.322 0.000 1.248 263 I HN 0.140 nan 8.210 nan 0.000 0.437 264 N N 4.181 122.665 118.700 -0.360 0.000 2.131 264 N HA -0.185 4.556 4.740 0.001 0.000 0.276 264 N C 0.446 175.568 175.510 -0.647 0.000 1.295 264 N CA 0.849 53.667 53.050 -0.386 0.000 0.818 264 N CB 0.200 38.528 38.487 -0.264 0.000 1.049 264 N HN 0.762 nan 8.380 nan 0.000 0.484 265 N N 1.401 119.762 118.700 -0.566 0.000 2.234 265 N HA 0.024 4.765 4.740 0.001 0.000 0.227 265 N C -0.696 174.701 175.510 -0.189 0.000 1.151 265 N CA -0.603 52.016 53.050 -0.718 0.000 0.865 265 N CB 0.146 38.440 38.487 -0.322 0.000 1.066 265 N HN 0.314 nan 8.380 nan 0.000 0.515 266 N N 1.448 120.077 118.700 -0.117 0.000 2.412 266 N HA 0.179 4.920 4.740 0.001 0.000 0.254 266 N C 0.638 176.274 175.510 0.211 0.000 1.232 266 N CA 1.266 54.350 53.050 0.056 0.000 0.880 266 N CB 1.366 39.871 38.487 0.029 0.000 1.076 266 N HN 0.577 nan 8.380 nan 0.000 0.458 267 G N 0.587 109.533 108.800 0.244 0.000 2.332 267 G HA2 0.058 4.018 3.960 0.001 0.000 0.265 267 G HA3 0.058 4.018 3.960 0.001 0.000 0.265 267 G C -1.727 173.257 174.900 0.139 0.000 1.329 267 G CA -0.734 44.504 45.100 0.229 0.000 0.949 267 G HN 0.832 nan 8.290 nan 0.000 0.476 268 H N -1.343 117.748 119.070 0.035 0.000 2.990 268 H HA 0.771 5.327 4.556 0.001 0.000 0.336 268 H C -1.328 173.879 175.328 -0.202 0.000 1.306 268 H CA -0.887 55.089 56.048 -0.120 0.000 1.118 268 H CB 1.736 31.438 29.762 -0.101 0.000 1.856 268 H HN 0.907 nan 8.280 nan 0.000 0.538 269 M N 2.430 121.941 119.600 -0.148 0.000 2.393 269 M HA 0.435 4.916 4.480 0.001 0.000 0.299 269 M C -2.158 174.159 176.300 0.029 0.000 1.103 269 M CA -1.140 54.090 55.300 -0.116 0.000 0.910 269 M CB 2.661 35.163 32.600 -0.163 0.000 1.659 269 M HN 0.577 nan 8.290 nan 0.000 0.445 270 L N 5.033 126.315 121.223 0.098 0.000 2.343 270 L HA 0.624 4.965 4.340 0.001 0.000 0.278 270 L C -1.352 175.516 176.870 -0.003 0.000 0.996 270 L CA -0.130 54.807 54.840 0.161 0.000 0.831 270 L CB 1.531 43.743 42.059 0.255 0.000 1.232 270 L HN 0.857 nan 8.230 nan 0.000 0.413 271 R N 5.611 126.107 120.500 -0.007 0.000 2.480 271 R HA 0.710 5.050 4.340 0.001 0.000 0.306 271 R C -1.672 174.572 176.300 -0.094 0.000 0.958 271 R CA -0.589 55.456 56.100 -0.093 0.000 0.861 271 R CB 1.245 31.502 30.300 -0.072 0.000 1.171 271 R HN 0.768 nan 8.270 nan 0.000 0.445 272 I N 5.978 126.480 120.570 -0.113 0.000 2.468 272 I HA 0.338 4.508 4.170 0.001 0.000 0.284 272 I C -0.822 175.185 176.117 -0.183 0.000 1.038 272 I CA -0.492 60.723 61.300 -0.142 0.000 1.083 272 I CB 1.850 39.853 38.000 0.006 0.000 1.223 272 I HN 0.432 nan 8.210 nan 0.000 0.443 273 L N 5.744 126.781 121.223 -0.310 0.000 2.341 273 L HA 0.653 4.994 4.340 0.001 0.000 0.267 273 L C -1.517 175.270 176.870 -0.137 0.000 1.009 273 L CA -0.409 54.298 54.840 -0.221 0.000 0.819 273 L CB 2.363 44.227 42.059 -0.324 0.000 1.323 273 L HN 0.560 nan 8.230 nan 0.000 0.425 274 D N 2.683 123.141 120.400 0.096 0.000 2.764 274 D HA 0.299 4.939 4.640 0.001 0.000 0.227 274 D C -1.665 174.825 176.300 0.316 0.000 1.347 274 D CA -0.190 53.972 54.000 0.270 0.000 0.953 274 D CB 1.225 42.278 40.800 0.421 0.000 1.476 274 D HN 0.666 nan 8.370 nan 0.000 0.585 275 H N 0.878 120.006 119.070 0.098 0.000 2.985 275 H HA 0.830 5.386 4.556 0.001 0.000 0.360 275 H C -0.791 174.344 175.328 -0.321 0.000 1.221 275 H CA -0.684 55.290 56.048 -0.124 0.000 1.121 275 H CB 1.978 31.734 29.762 -0.011 0.000 1.854 275 H HN 0.560 nan 8.280 nan 0.000 0.551 276 G N -0.828 107.396 108.800 -0.959 0.000 2.340 276 G HA2 0.598 4.559 3.960 0.001 0.000 0.299 276 G HA3 0.598 4.559 3.960 0.001 0.000 0.299 276 G C -2.026 172.287 174.900 -0.979 0.000 1.291 276 G CA -0.236 44.183 45.100 -1.135 0.000 0.841 276 G HN 0.971 nan 8.290 nan 0.000 0.500 277 A N -0.165 122.180 122.820 -0.792 0.000 2.437 277 A HA 0.797 5.117 4.320 0.001 0.000 0.293 277 A C -0.649 176.922 177.584 -0.021 0.000 1.038 277 A CA -0.339 51.586 52.037 -0.187 0.000 0.708 277 A CB 0.845 19.956 19.000 0.184 0.000 1.251 277 A HN 1.941 nan 8.150 nan 0.000 0.409 278 I N -0.902 119.744 120.570 0.127 0.000 2.647 278 I HA 0.786 4.956 4.170 0.001 0.000 0.295 278 I C -0.513 175.686 176.117 0.137 0.000 1.078 278 I CA -0.595 60.787 61.300 0.137 0.000 1.048 278 I CB 2.450 40.532 38.000 0.138 0.000 1.239 278 I HN 0.315 nan 8.210 nan 0.000 0.421 279 S N 6.140 121.918 115.700 0.129 0.000 2.525 279 S HA 0.684 5.154 4.470 0.001 0.000 0.290 279 S C -0.357 174.309 174.600 0.109 0.000 1.152 279 S CA -0.719 57.557 58.200 0.127 0.000 1.072 279 S CB 1.404 64.675 63.200 0.118 0.000 1.027 279 S HN 0.612 nan 8.310 nan 0.000 0.500 280 M N 3.057 122.736 119.600 0.131 0.000 2.007 280 M HA 0.501 4.982 4.480 0.001 0.000 0.285 280 M C 0.491 176.877 176.300 0.143 0.000 0.893 280 M CA -0.253 55.108 55.300 0.101 0.000 0.925 280 M CB 1.133 33.762 32.600 0.048 0.000 1.568 280 M HN 0.980 nan 8.290 nan 0.000 0.414 281 G N 1.951 110.812 108.800 0.101 0.000 2.527 281 G HA2 -0.185 3.775 3.960 0.001 0.000 0.227 281 G HA3 -0.185 3.775 3.960 0.001 0.000 0.227 281 G C -0.261 174.686 174.900 0.079 0.000 1.291 281 G CA -0.069 45.092 45.100 0.101 0.000 0.904 281 G HN 0.627 nan 8.290 nan 0.000 0.577 282 D N 0.328 120.759 120.400 0.052 0.000 2.422 282 D HA 0.059 4.699 4.640 0.001 0.000 0.218 282 D C 1.737 177.980 176.300 -0.095 0.000 1.047 282 D CA 0.282 54.276 54.000 -0.010 0.000 0.885 282 D CB 0.073 40.859 40.800 -0.024 0.000 1.035 282 D HN 0.308 nan 8.370 nan 0.000 0.502 283 N N -0.284 118.343 118.700 -0.122 0.000 2.280 283 N HA 0.018 4.759 4.740 0.001 0.000 0.192 283 N C -0.454 174.666 175.510 -0.649 0.000 1.109 283 N CA 0.175 52.946 53.050 -0.465 0.000 0.855 283 N CB 0.675 38.866 38.487 -0.494 0.000 0.974 283 N HN 0.179 nan 8.380 nan 0.000 0.482 284 W N 0.582 121.816 121.300 -0.110 0.000 2.957 284 W HA 0.381 5.041 4.660 0.001 0.000 0.336 284 W C -0.836 175.666 176.519 -0.028 0.000 1.087 284 W CA -0.619 56.698 57.345 -0.047 0.000 1.235 284 W CB 1.437 30.907 29.460 0.015 0.000 1.399 284 W HN -0.266 nan 8.180 nan 0.000 0.480 285 D N 2.752 123.309 120.400 0.261 0.000 2.671 285 D HA 0.680 5.320 4.640 0.001 0.000 0.232 285 D C -1.073 175.344 176.300 0.195 0.000 1.114 285 D CA -0.642 53.458 54.000 0.166 0.000 0.858 285 D CB 2.069 42.904 40.800 0.058 0.000 1.544 285 D HN 0.414 nan 8.370 nan 0.000 0.471 286 M N 2.611 122.299 119.600 0.147 0.000 2.294 286 M HA 0.394 4.874 4.480 0.001 0.000 0.280 286 M C -1.931 174.451 176.300 0.137 0.000 1.085 286 M CA -0.567 54.825 55.300 0.152 0.000 0.969 286 M CB 1.524 34.229 32.600 0.175 0.000 1.770 286 M HN 0.381 nan 8.290 nan 0.000 0.485 287 M N 3.753 123.402 119.600 0.081 0.000 2.478 287 M HA 0.750 5.230 4.480 0.001 0.000 0.327 287 M C -1.494 174.898 176.300 0.154 0.000 1.187 287 M CA -0.791 54.518 55.300 0.015 0.000 1.022 287 M CB 1.321 33.854 32.600 -0.112 0.000 1.629 287 M HN 0.682 nan 8.290 nan 0.000 0.461 288 Y N -0.821 119.542 120.300 0.104 0.000 2.571 288 Y HA 0.847 5.397 4.550 0.001 0.000 0.341 288 Y C -1.666 174.350 175.900 0.194 0.000 1.076 288 Y CA -1.496 56.686 58.100 0.137 0.000 1.029 288 Y CB 0.970 39.482 38.460 0.087 0.000 1.308 288 Y HN 0.616 nan 8.280 nan 0.000 0.461 289 V N -0.009 120.096 119.914 0.319 0.000 2.925 289 V HA 1.032 5.152 4.120 0.001 0.000 0.311 289 V C -0.282 175.982 176.094 0.282 0.000 1.104 289 V CA -0.589 61.868 62.300 0.262 0.000 0.954 289 V CB 1.629 33.565 31.823 0.189 0.000 1.022 289 V HN 1.409 nan 8.190 nan 0.000 0.427 290 G N 2.436 111.369 108.800 0.221 0.000 2.711 290 G HA2 0.686 4.647 3.960 0.001 0.000 0.288 290 G HA3 0.686 4.647 3.960 0.001 0.000 0.288 290 G C -1.386 173.570 174.900 0.093 0.000 1.451 290 G CA -0.499 44.721 45.100 0.200 0.000 1.186 290 G HN 0.896 nan 8.290 nan 0.000 0.560 291 M N 2.570 122.172 119.600 0.002 0.000 2.470 291 M HA 0.698 5.178 4.480 0.001 0.000 0.285 291 M C -2.413 173.732 176.300 -0.259 0.000 1.213 291 M CA -1.110 54.080 55.300 -0.184 0.000 0.901 291 M CB 2.868 35.211 32.600 -0.429 0.000 1.718 291 M HN 0.576 nan 8.290 nan 0.000 0.469 292 Y N 3.059 123.064 120.300 -0.492 0.000 2.329 292 Y HA 0.514 5.064 4.550 0.001 0.000 0.328 292 Y C -1.652 173.920 175.900 -0.546 0.000 0.992 292 Y CA -0.306 57.317 58.100 -0.795 0.000 1.151 292 Y CB 1.462 39.274 38.460 -1.081 0.000 1.150 292 Y HN 0.734 nan 8.280 nan 0.000 0.450 293 Q N 5.102 124.250 119.800 -1.087 0.000 2.325 293 Q HA 0.306 4.647 4.340 0.001 0.000 0.270 293 Q C -1.963 173.601 176.000 -0.726 0.000 1.020 293 Q CA -0.773 54.614 55.803 -0.694 0.000 0.785 293 Q CB 1.466 30.045 28.738 -0.265 0.000 1.259 293 Q HN 0.815 nan 8.270 nan 0.000 0.452 294 D N 4.697 124.743 120.400 -0.591 0.000 2.453 294 D HA 0.333 4.974 4.640 0.001 0.000 0.238 294 D C -1.040 175.084 176.300 -0.293 0.000 1.088 294 D CA -0.320 53.450 54.000 -0.385 0.000 0.854 294 D CB 0.697 41.367 40.800 -0.218 0.000 1.076 294 D HN 0.509 nan 8.370 nan 0.000 0.533 295 I N 3.673 124.022 120.570 -0.368 0.000 2.306 295 I HA 0.263 4.434 4.170 0.001 0.000 0.288 295 I C -0.020 175.705 176.117 -0.654 0.000 1.036 295 I CA -0.646 60.299 61.300 -0.592 0.000 1.221 295 I CB 0.958 38.495 38.000 -0.772 0.000 1.385 295 I HN 0.332 nan 8.210 nan 0.000 0.472 296 N N 6.624 124.927 118.700 -0.663 0.000 2.546 296 N HA 0.260 5.001 4.740 0.001 0.000 0.238 296 N C -1.214 174.087 175.510 -0.348 0.000 0.984 296 N CA -0.565 52.201 53.050 -0.472 0.000 0.935 296 N CB 0.854 39.047 38.487 -0.491 0.000 1.122 296 N HN 0.349 nan 8.380 nan 0.000 0.510 297 W N 2.041 123.258 121.300 -0.139 0.000 2.512 297 W HA 0.263 4.923 4.660 0.001 0.000 0.335 297 W C 0.917 177.397 176.519 -0.063 0.000 1.088 297 W CA -0.773 56.513 57.345 -0.098 0.000 1.236 297 W CB 1.199 30.615 29.460 -0.073 0.000 1.307 297 W HN 0.533 nan 8.180 nan 0.000 0.567 298 D N 0.950 121.488 120.400 0.230 0.000 2.149 298 D HA -0.223 4.418 4.640 0.001 0.000 0.198 298 D C 1.649 177.993 176.300 0.073 0.000 0.990 298 D CA 1.718 55.784 54.000 0.110 0.000 0.839 298 D CB -0.205 40.635 40.800 0.067 0.000 0.948 298 D HN 0.365 nan 8.370 nan 0.000 0.460 299 N N 0.268 119.005 118.700 0.061 0.000 2.521 299 N HA -0.115 4.625 4.740 0.001 0.000 0.188 299 N C -0.263 175.277 175.510 0.050 0.000 1.146 299 N CA 0.680 53.739 53.050 0.015 0.000 0.893 299 N CB 0.024 38.469 38.487 -0.069 0.000 0.975 299 N HN -0.053 nan 8.380 nan 0.000 0.451 300 D N -2.083 118.378 120.400 0.101 0.000 3.079 300 D HA -0.197 4.443 4.640 0.001 0.000 0.214 300 D C -0.177 176.158 176.300 0.059 0.000 1.145 300 D CA 1.019 55.054 54.000 0.059 0.000 0.958 300 D CB -1.542 39.259 40.800 0.001 0.000 1.117 300 D HN 0.433 nan 8.370 nan 0.000 0.416 301 N N -0.401 118.411 118.700 0.187 0.000 2.238 301 N HA 0.275 5.015 4.740 0.001 0.000 0.222 301 N C 0.893 176.582 175.510 0.298 0.000 1.133 301 N CA 0.639 53.802 53.050 0.189 0.000 0.854 301 N CB 0.225 38.825 38.487 0.187 0.000 1.041 301 N HN 0.306 nan 8.380 nan 0.000 0.510 302 G N -0.753 108.148 108.800 0.169 0.000 2.479 302 G HA2 0.342 4.302 3.960 0.001 0.000 0.275 302 G HA3 0.342 4.302 3.960 0.001 0.000 0.275 302 G C -0.356 174.442 174.900 -0.170 0.000 1.421 302 G CA 0.270 45.234 45.100 -0.226 0.000 1.059 302 G HN 0.308 nan 8.290 nan 0.000 0.535 303 T N -2.880 111.545 114.554 -0.216 0.000 2.853 303 T HA 0.581 4.931 4.350 0.001 0.000 0.311 303 T C -1.089 173.560 174.700 -0.084 0.000 1.307 303 T CA -0.933 61.118 62.100 -0.082 0.000 1.019 303 T CB 2.294 71.182 68.868 0.034 0.000 1.264 303 T HN 0.541 nan 8.240 nan 0.000 0.497 304 K N 1.154 121.563 120.400 0.016 0.000 2.559 304 K HA 0.392 4.713 4.320 0.001 0.000 0.249 304 K C -1.820 174.853 176.600 0.122 0.000 0.958 304 K CA -0.618 55.659 56.287 -0.017 0.000 0.901 304 K CB 1.201 33.762 32.500 0.102 0.000 1.124 304 K HN 0.704 nan 8.250 nan 0.000 0.437 305 W N 5.959 127.094 121.300 -0.274 0.000 2.520 305 W HA 0.454 5.115 4.660 0.001 0.000 0.323 305 W C -1.828 174.529 176.519 -0.271 0.000 1.062 305 W CA -1.090 56.164 57.345 -0.152 0.000 1.215 305 W CB 0.681 30.042 29.460 -0.164 0.000 1.340 305 W HN 0.494 nan 8.180 nan 0.000 0.516 306 W N 5.226 126.596 121.300 0.116 0.000 2.683 306 W HA 0.534 5.194 4.660 0.001 0.000 0.329 306 W C -0.371 176.102 176.519 -0.077 0.000 1.037 306 W CA -0.451 56.910 57.345 0.026 0.000 1.232 306 W CB 2.138 31.740 29.460 0.237 0.000 1.390 306 W HN 0.288 nan 8.180 nan 0.000 0.465 307 T N 0.605 115.178 114.554 0.033 0.000 2.906 307 T HA 0.827 5.177 4.350 0.001 0.000 0.295 307 T C -0.765 174.097 174.700 0.269 0.000 1.061 307 T CA -0.989 61.197 62.100 0.144 0.000 1.000 307 T CB 1.663 70.519 68.868 -0.020 0.000 1.103 307 T HN 0.453 nan 8.240 nan 0.000 0.486 308 V N -1.996 118.133 119.914 0.357 0.000 2.924 308 V HA 0.999 5.119 4.120 0.001 0.000 0.300 308 V C -0.302 175.893 176.094 0.169 0.000 1.227 308 V CA -0.602 61.869 62.300 0.285 0.000 0.954 308 V CB 1.317 33.274 31.823 0.223 0.000 1.055 308 V HN 1.508 nan 8.190 nan 0.000 0.429 309 G N 2.701 111.608 108.800 0.178 0.000 2.646 309 G HA2 0.857 4.818 3.960 0.001 0.000 0.291 309 G HA3 0.857 4.818 3.960 0.001 0.000 0.291 309 G C -1.517 173.489 174.900 0.176 0.000 1.445 309 G CA -0.210 44.883 45.100 -0.011 0.000 0.814 309 G HN 1.833 nan 8.290 nan 0.000 0.495 310 I N -2.342 118.305 120.570 0.129 0.000 2.894 310 I HA 0.878 5.048 4.170 0.001 0.000 0.302 310 I C -0.855 175.362 176.117 0.166 0.000 1.188 310 I CA -1.475 59.933 61.300 0.181 0.000 1.014 310 I CB 2.802 40.880 38.000 0.130 0.000 1.242 310 I HN 0.541 nan 8.210 nan 0.000 0.430 311 R N 5.032 125.639 120.500 0.178 0.000 2.547 311 R HA 0.498 4.838 4.340 0.001 0.000 0.280 311 R C -2.884 173.513 176.300 0.160 0.000 1.630 311 R CA -1.442 54.756 56.100 0.163 0.000 1.470 311 R CB 1.390 31.783 30.300 0.155 0.000 1.178 311 R HN 0.468 nan 8.270 nan 0.000 0.591 312 P HA 0.117 nan 4.420 nan 0.000 0.279 312 P C -0.988 176.483 177.300 0.286 0.000 1.239 312 P CA -0.290 62.977 63.100 0.278 0.000 0.789 312 P CB 1.420 33.308 31.700 0.314 0.000 0.933 313 M N 4.414 124.177 119.600 0.272 0.000 2.259 313 M HA 0.358 4.838 4.480 0.001 0.000 0.304 313 M C -1.986 174.258 176.300 -0.093 0.000 1.019 313 M CA -1.059 54.295 55.300 0.090 0.000 0.922 313 M CB 1.780 34.386 32.600 0.011 0.000 1.600 313 M HN 0.305 nan 8.290 nan 0.000 0.433 314 Y N 5.438 125.459 120.300 -0.464 0.000 2.328 314 Y HA 0.431 4.982 4.550 0.001 0.000 0.333 314 Y C -0.939 174.462 175.900 -0.832 0.000 0.958 314 Y CA -0.721 56.752 58.100 -1.046 0.000 1.167 314 Y CB 1.030 38.660 38.460 -1.384 0.000 1.151 314 Y HN 0.522 nan 8.280 nan 0.000 0.470 315 K N 5.468 125.011 120.400 -1.428 0.000 2.273 315 K HA 0.080 4.400 4.320 0.001 0.000 0.287 315 K C -0.326 175.588 176.600 -1.145 0.000 1.089 315 K CA -0.341 55.358 56.287 -0.980 0.000 0.909 315 K CB 0.632 32.798 32.500 -0.557 0.000 1.123 315 K HN 0.799 nan 8.250 nan 0.000 0.473 316 W N 2.050 123.070 121.300 -0.466 0.000 2.476 316 W HA -0.040 4.620 4.660 0.001 0.000 0.281 316 W C 0.641 177.049 176.519 -0.185 0.000 1.230 316 W CA 0.358 57.558 57.345 -0.242 0.000 1.287 316 W CB 0.416 29.807 29.460 -0.115 0.000 1.108 316 W HN 0.399 nan 8.180 nan 0.000 0.567 317 T N -0.810 113.754 114.554 0.017 0.000 2.787 317 T HA 0.150 4.500 4.350 0.001 0.000 0.297 317 T C -2.019 172.649 174.700 -0.052 0.000 1.221 317 T CA -0.986 61.117 62.100 0.006 0.000 1.006 317 T CB 1.865 70.770 68.868 0.061 0.000 1.328 317 T HN -0.417 nan 8.240 nan 0.000 0.509 318 P HA 0.134 nan 4.420 nan 0.000 0.233 318 P C 0.901 178.192 177.300 -0.014 0.000 1.167 318 P CA 0.787 63.867 63.100 -0.033 0.000 0.770 318 P CB -0.053 31.640 31.700 -0.011 0.000 0.837 319 I N -5.745 114.829 120.570 0.007 0.000 4.240 319 I HA 0.431 4.601 4.170 0.001 0.000 0.331 319 I C 0.376 176.482 176.117 -0.018 0.000 1.381 319 I CA -0.384 60.936 61.300 0.034 0.000 1.136 319 I CB 0.318 38.378 38.000 0.101 0.000 1.137 319 I HN -0.233 nan 8.210 nan 0.000 0.411 320 M N 2.668 122.212 119.600 -0.092 0.000 2.327 320 M HA 0.641 5.122 4.480 0.001 0.000 0.298 320 M C -1.291 174.953 176.300 -0.093 0.000 1.065 320 M CA -0.150 54.982 55.300 -0.281 0.000 0.916 320 M CB 2.040 34.416 32.600 -0.373 0.000 1.630 320 M HN 0.303 nan 8.290 nan 0.000 0.442 321 S N 1.981 117.607 115.700 -0.124 0.000 2.705 321 S HA 0.733 5.204 4.470 0.001 0.000 0.280 321 S C -1.027 173.651 174.600 0.129 0.000 1.174 321 S CA -0.795 57.447 58.200 0.069 0.000 0.823 321 S CB 2.197 65.340 63.200 -0.096 0.000 1.162 321 S HN 0.641 nan 8.310 nan 0.000 0.487 322 T N 1.361 116.061 114.554 0.244 0.000 2.815 322 T HA 0.630 4.980 4.350 0.001 0.000 0.289 322 T C -0.780 174.017 174.700 0.162 0.000 1.000 322 T CA -0.411 61.840 62.100 0.251 0.000 0.958 322 T CB 1.048 70.185 68.868 0.448 0.000 0.944 322 T HN 0.570 nan 8.240 nan 0.000 0.442 323 V N 4.858 124.859 119.914 0.145 0.000 2.630 323 V HA 0.682 4.802 4.120 0.001 0.000 0.305 323 V C -0.040 176.162 176.094 0.181 0.000 1.046 323 V CA -0.945 61.442 62.300 0.145 0.000 0.934 323 V CB 1.818 33.714 31.823 0.121 0.000 1.003 323 V HN 0.900 nan 8.190 nan 0.000 0.451 324 M N 3.298 123.010 119.600 0.187 0.000 2.446 324 M HA 0.659 5.140 4.480 0.001 0.000 0.294 324 M C -1.318 175.089 176.300 0.180 0.000 1.158 324 M CA -0.343 55.071 55.300 0.191 0.000 0.899 324 M CB 2.412 35.127 32.600 0.191 0.000 1.687 324 M HN 0.811 nan 8.290 nan 0.000 0.455 325 E N 4.448 124.757 120.200 0.183 0.000 2.234 325 E HA 0.624 4.974 4.350 0.001 0.000 0.266 325 E C -1.921 174.766 176.600 0.145 0.000 0.877 325 E CA -0.630 55.874 56.400 0.174 0.000 0.758 325 E CB 2.015 31.840 29.700 0.208 0.000 1.170 325 E HN 0.798 nan 8.360 nan 0.000 0.415 326 I N 3.309 123.924 120.570 0.075 0.000 2.468 326 I HA 0.500 4.671 4.170 0.001 0.000 0.285 326 I C -0.026 175.981 176.117 -0.184 0.000 1.039 326 I CA -0.687 60.627 61.300 0.024 0.000 1.074 326 I CB 2.076 40.097 38.000 0.036 0.000 1.228 326 I HN 0.545 nan 8.210 nan 0.000 0.436 327 G N 4.583 113.200 108.800 -0.306 0.000 2.524 327 G HA2 0.608 4.568 3.960 0.001 0.000 0.310 327 G HA3 0.608 4.568 3.960 0.001 0.000 0.310 327 G C -2.280 172.501 174.900 -0.198 0.000 1.279 327 G CA -0.478 44.064 45.100 -0.930 0.000 0.974 327 G HN 0.433 nan 8.290 nan 0.000 0.484 328 Y N 1.120 121.302 120.300 -0.197 0.000 2.373 328 Y HA 0.532 5.083 4.550 0.001 0.000 0.336 328 Y C -1.094 174.969 175.900 0.271 0.000 0.979 328 Y CA -0.970 57.200 58.100 0.117 0.000 1.080 328 Y CB 2.051 40.571 38.460 0.100 0.000 1.190 328 Y HN 0.439 nan 8.280 nan 0.000 0.446 329 D N 4.727 124.849 120.400 -0.463 0.000 2.457 329 D HA 0.256 4.896 4.640 0.001 0.000 0.240 329 D C -1.431 174.597 176.300 -0.453 0.000 1.041 329 D CA -0.547 53.340 54.000 -0.188 0.000 0.861 329 D CB 2.127 43.009 40.800 0.137 0.000 1.394 329 D HN 0.587 nan 8.370 nan 0.000 0.473 330 N N 1.647 120.367 118.700 0.032 0.000 2.549 330 N HA 0.227 4.967 4.740 0.001 0.000 0.290 330 N C -1.885 173.866 175.510 0.402 0.000 1.122 330 N CA -0.299 52.856 53.050 0.176 0.000 0.885 330 N CB 1.755 40.417 38.487 0.291 0.000 1.455 330 N HN 0.044 nan 8.380 nan 0.000 0.521 331 V N 2.255 122.353 119.914 0.307 0.000 2.487 331 V HA 0.451 4.571 4.120 0.001 0.000 0.298 331 V C 0.090 176.459 176.094 0.459 0.000 1.028 331 V CA -0.833 61.680 62.300 0.355 0.000 0.860 331 V CB 1.786 33.731 31.823 0.202 0.000 0.991 331 V HN 0.591 nan 8.190 nan 0.000 0.427 332 E N 2.429 122.859 120.200 0.383 0.000 2.166 332 E HA 0.412 4.762 4.350 0.001 0.000 0.275 332 E C -0.432 176.176 176.600 0.013 0.000 0.941 332 E CA -0.379 56.180 56.400 0.265 0.000 0.784 332 E CB 1.686 31.509 29.700 0.205 0.000 1.115 332 E HN 0.682 nan 8.360 nan 0.000 0.399 333 S N 3.210 118.644 115.700 -0.443 0.000 2.488 333 S HA -0.048 4.422 4.470 0.001 0.000 0.278 333 S C 0.974 175.309 174.600 -0.441 0.000 1.259 333 S CA 0.074 57.734 58.200 -0.900 0.000 1.061 333 S CB 1.110 63.339 63.200 -1.618 0.000 0.910 333 S HN 0.736 nan 8.310 nan 0.000 0.491 334 Q N 4.382 123.994 119.800 -0.314 0.000 2.084 334 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 334 Q C 2.215 178.102 176.000 -0.188 0.000 0.978 334 Q CA 1.409 57.104 55.803 -0.179 0.000 0.844 334 Q CB -0.067 28.599 28.738 -0.119 0.000 0.898 334 Q HN 0.831 nan 8.270 nan 0.000 0.426 335 R N -0.482 119.864 120.500 -0.257 0.000 2.066 335 R HA -0.108 4.233 4.340 0.001 0.000 0.232 335 R C 2.080 178.234 176.300 -0.244 0.000 1.131 335 R CA 1.939 57.902 56.100 -0.229 0.000 0.955 335 R CB -0.160 29.987 30.300 -0.254 0.000 0.851 335 R HN 0.389 nan 8.270 nan 0.000 0.432 336 T N -4.261 110.085 114.554 -0.346 0.000 3.023 336 T HA 0.228 4.578 4.350 0.001 0.000 0.253 336 T C 1.242 175.821 174.700 -0.201 0.000 1.038 336 T CA 0.568 62.506 62.100 -0.269 0.000 0.962 336 T CB 0.877 69.562 68.868 -0.306 0.000 1.018 336 T HN 0.444 nan 8.240 nan 0.000 0.521 337 G N 1.492 110.161 108.800 -0.218 0.000 2.189 337 G HA2 -0.240 3.721 3.960 0.001 0.000 0.267 337 G HA3 -0.240 3.721 3.960 0.001 0.000 0.267 337 G C -0.098 174.758 174.900 -0.073 0.000 0.975 337 G CA 0.370 45.402 45.100 -0.113 0.000 0.644 337 G HN 0.621 nan 8.290 nan 0.000 0.537 338 D N 0.320 120.643 120.400 -0.128 0.000 2.384 338 D HA 0.478 5.119 4.640 0.001 0.000 0.244 338 D C 0.566 176.988 176.300 0.204 0.000 1.251 338 D CA 0.367 54.395 54.000 0.047 0.000 0.961 338 D CB 0.517 41.397 40.800 0.132 0.000 1.116 338 D HN 0.308 nan 8.370 nan 0.000 0.484 339 K N 1.009 121.619 120.400 0.350 0.000 2.482 339 K HA 0.337 4.658 4.320 0.001 0.000 0.251 339 K C -0.946 175.836 176.600 0.303 0.000 0.936 339 K CA -0.774 55.743 56.287 0.384 0.000 0.791 339 K CB 1.697 34.351 32.500 0.255 0.000 1.213 339 K HN 0.201 nan 8.250 nan 0.000 0.428 340 N N 2.874 121.706 118.700 0.219 0.000 2.399 340 N HA 0.331 5.072 4.740 0.001 0.000 0.295 340 N C -1.227 174.315 175.510 0.053 0.000 1.048 340 N CA -0.577 52.466 53.050 -0.011 0.000 0.886 340 N CB 1.251 39.530 38.487 -0.346 0.000 1.185 340 N HN 0.719 nan 8.380 nan 0.000 0.487 341 N N 0.218 118.953 118.700 0.058 0.000 2.494 341 N HA 0.386 5.127 4.740 0.001 0.000 0.270 341 N C -1.520 174.014 175.510 0.041 0.000 1.285 341 N CA -0.609 52.457 53.050 0.026 0.000 0.812 341 N CB 2.809 41.365 38.487 0.115 0.000 1.557 341 N HN 0.460 nan 8.380 nan 0.000 0.487 342 Q N 0.331 120.099 119.800 -0.055 0.000 2.472 342 Q HA 0.332 4.672 4.340 0.001 0.000 0.281 342 Q C -2.197 173.879 176.000 0.127 0.000 0.997 342 Q CA -0.804 55.026 55.803 0.046 0.000 0.828 342 Q CB 2.108 30.878 28.738 0.054 0.000 1.443 342 Q HN 0.697 nan 8.270 nan 0.000 0.390 343 Y N 0.345 120.750 120.300 0.176 0.000 2.406 343 Y HA 0.688 5.239 4.550 0.001 0.000 0.340 343 Y C -1.669 174.327 175.900 0.160 0.000 0.975 343 Y CA -0.937 57.293 58.100 0.218 0.000 1.056 343 Y CB 1.591 40.242 38.460 0.319 0.000 1.210 343 Y HN 0.500 nan 8.280 nan 0.000 0.448 344 K N 4.792 125.407 120.400 0.359 0.000 2.259 344 K HA 0.750 5.070 4.320 0.001 0.000 0.252 344 K C -1.901 174.905 176.600 0.342 0.000 0.936 344 K CA -0.922 55.542 56.287 0.296 0.000 0.810 344 K CB 1.566 34.230 32.500 0.272 0.000 1.143 344 K HN 0.940 nan 8.250 nan 0.000 0.427 345 I N 2.263 123.065 120.570 0.387 0.000 2.512 345 I HA 0.217 4.388 4.170 0.001 0.000 0.287 345 I C -0.788 175.533 176.117 0.340 0.000 1.069 345 I CA -0.430 61.070 61.300 0.334 0.000 1.056 345 I CB 2.373 40.583 38.000 0.351 0.000 1.229 345 I HN 0.474 nan 8.210 nan 0.000 0.429 346 T N 6.468 121.194 114.554 0.287 0.000 2.863 346 T HA 0.558 4.908 4.350 0.001 0.000 0.285 346 T C -1.006 173.861 174.700 0.278 0.000 1.009 346 T CA -0.588 61.700 62.100 0.312 0.000 0.989 346 T CB 1.966 70.994 68.868 0.266 0.000 1.004 346 T HN 0.248 nan 8.240 nan 0.000 0.455 347 L N 2.681 124.090 121.223 0.310 0.000 2.376 347 L HA 0.816 5.156 4.340 0.001 0.000 0.275 347 L C -0.968 176.086 176.870 0.305 0.000 0.987 347 L CA -0.556 54.441 54.840 0.262 0.000 0.828 347 L CB 1.020 43.211 42.059 0.219 0.000 1.249 347 L HN 0.891 nan 8.230 nan 0.000 0.409 348 A N 4.177 127.158 122.820 0.268 0.000 2.435 348 A HA 0.696 5.016 4.320 0.001 0.000 0.304 348 A C -1.211 176.487 177.584 0.190 0.000 1.064 348 A CA -0.559 51.650 52.037 0.286 0.000 0.727 348 A CB 1.997 21.186 19.000 0.314 0.000 1.284 348 A HN 0.589 nan 8.150 nan 0.000 0.415 349 Q N 1.067 120.967 119.800 0.166 0.000 2.348 349 Q HA 0.506 4.846 4.340 0.001 0.000 0.265 349 Q C -0.459 175.514 176.000 -0.045 0.000 0.998 349 Q CA -0.148 55.657 55.803 0.004 0.000 0.831 349 Q CB 1.016 29.748 28.738 -0.009 0.000 1.251 349 Q HN 0.794 nan 8.270 nan 0.000 0.456 350 Q N 2.255 121.938 119.800 -0.196 0.000 2.496 350 Q HA 0.598 4.939 4.340 0.001 0.000 0.286 350 Q C -1.121 174.666 176.000 -0.355 0.000 1.103 350 Q CA -0.866 54.891 55.803 -0.076 0.000 0.813 350 Q CB 1.817 30.616 28.738 0.101 0.000 1.444 350 Q HN 0.568 nan 8.270 nan 0.000 0.443 351 W N 2.488 123.827 121.300 0.065 0.000 2.554 351 W HA 0.283 4.943 4.660 0.001 0.000 0.324 351 W C -0.732 175.801 176.519 0.024 0.000 1.018 351 W CA -0.504 56.868 57.345 0.044 0.000 1.243 351 W CB 2.213 31.695 29.460 0.036 0.000 1.345 351 W HN 0.757 nan 8.180 nan 0.000 0.441 352 Q N 1.243 121.134 119.800 0.151 0.000 2.433 352 Q HA 0.650 4.990 4.340 0.001 0.000 0.279 352 Q C -0.759 175.281 176.000 0.066 0.000 1.105 352 Q CA -0.849 55.005 55.803 0.084 0.000 0.815 352 Q CB 1.888 30.640 28.738 0.023 0.000 1.403 352 Q HN 0.418 nan 8.270 nan 0.000 0.435 353 A N 0.760 123.602 122.820 0.036 0.000 3.063 353 A HA 0.608 4.928 4.320 0.001 0.000 0.263 353 A C 0.442 178.043 177.584 0.029 0.000 1.736 353 A CA 0.611 52.668 52.037 0.034 0.000 1.408 353 A CB -1.278 17.734 19.000 0.020 0.000 1.108 353 A HN 1.118 nan 8.150 nan 0.000 0.621 354 G N 0.272 109.091 108.800 0.031 0.000 2.356 354 G HA2 0.330 4.291 3.960 0.001 0.000 0.300 354 G HA3 0.330 4.291 3.960 0.001 0.000 0.300 354 G C -0.513 174.397 174.900 0.018 0.000 1.331 354 G CA 0.076 45.195 45.100 0.031 0.000 0.905 354 G HN 0.403 nan 8.290 nan 0.000 0.587 355 D N -1.100 119.311 120.400 0.018 0.000 2.398 355 D HA 0.354 4.995 4.640 0.001 0.000 0.210 355 D C 0.927 177.229 176.300 0.003 0.000 1.094 355 D CA 0.450 54.444 54.000 -0.010 0.000 0.839 355 D CB 0.819 41.609 40.800 -0.016 0.000 0.963 355 D HN 0.429 nan 8.370 nan 0.000 0.506 356 S N -0.243 115.485 115.700 0.047 0.000 2.687 356 S HA 0.390 4.861 4.470 0.001 0.000 0.283 356 S C 0.874 175.497 174.600 0.039 0.000 1.170 356 S CA -0.795 57.459 58.200 0.090 0.000 1.008 356 S CB 0.953 64.276 63.200 0.206 0.000 1.026 356 S HN 0.212 nan 8.310 nan 0.000 0.541 357 I N 1.635 122.198 120.570 -0.011 0.000 3.001 357 I HA 0.050 4.220 4.170 0.001 0.000 0.268 357 I C 0.281 176.248 176.117 -0.251 0.000 1.267 357 I CA 0.805 62.008 61.300 -0.161 0.000 1.472 357 I CB 0.107 37.955 38.000 -0.253 0.000 1.089 357 I HN 0.731 nan 8.210 nan 0.000 0.468 358 W N 0.141 121.483 121.300 0.070 0.000 3.278 358 W HA 0.228 4.889 4.660 0.001 0.000 0.308 358 W C 1.110 177.639 176.519 0.017 0.000 1.253 358 W CA -0.455 56.959 57.345 0.116 0.000 1.759 358 W CB 0.078 29.656 29.460 0.197 0.000 1.093 358 W HN -0.126 nan 8.180 nan 0.000 0.648 359 S N 2.170 117.950 115.700 0.133 0.000 2.528 359 S HA 0.386 4.856 4.470 0.001 0.000 0.277 359 S C 0.275 174.776 174.600 -0.166 0.000 1.297 359 S CA -0.246 57.963 58.200 0.014 0.000 1.052 359 S CB 0.515 63.729 63.200 0.024 0.000 0.917 359 S HN -0.006 nan 8.310 nan 0.000 0.492 360 R N 2.553 122.888 120.500 -0.275 0.000 2.725 360 R HA 0.503 4.844 4.340 0.001 0.000 0.277 360 R C -2.895 173.302 176.300 -0.173 0.000 0.987 360 R CA -2.174 53.698 56.100 -0.380 0.000 0.901 360 R CB 1.009 30.757 30.300 -0.920 0.000 1.207 360 R HN 0.390 nan 8.270 nan 0.000 0.463 361 P HA 0.308 nan 4.420 nan 0.000 0.274 361 P C -1.140 176.131 177.300 -0.048 0.000 1.231 361 P CA -0.388 62.660 63.100 -0.087 0.000 0.790 361 P CB 0.916 32.590 31.700 -0.043 0.000 0.951 362 A N 2.512 125.319 122.820 -0.022 0.000 2.393 362 A HA 0.702 5.023 4.320 0.001 0.000 0.306 362 A C -0.676 176.976 177.584 0.113 0.000 1.050 362 A CA -0.769 51.300 52.037 0.053 0.000 0.724 362 A CB 0.983 20.000 19.000 0.028 0.000 1.248 362 A HN 0.457 nan 8.150 nan 0.000 0.424 363 I N 2.240 122.933 120.570 0.205 0.000 2.410 363 I HA 0.406 4.576 4.170 0.001 0.000 0.286 363 I C -0.123 176.214 176.117 0.366 0.000 1.009 363 I CA -0.401 61.036 61.300 0.229 0.000 1.111 363 I CB 1.812 39.912 38.000 0.167 0.000 1.262 363 I HN 0.717 nan 8.210 nan 0.000 0.443 364 R N 4.551 125.249 120.500 0.330 0.000 2.732 364 R HA 0.790 5.130 4.340 0.001 0.000 0.278 364 R C -1.193 175.361 176.300 0.423 0.000 0.976 364 R CA -0.833 55.502 56.100 0.392 0.000 0.963 364 R CB 2.566 33.088 30.300 0.371 0.000 1.150 364 R HN 0.271 nan 8.270 nan 0.000 0.478 365 V N 4.007 124.175 119.914 0.423 0.000 2.482 365 V HA 0.493 4.614 4.120 0.001 0.000 0.295 365 V C -1.141 175.147 176.094 0.323 0.000 1.026 365 V CA -0.567 61.922 62.300 0.314 0.000 0.856 365 V CB 0.838 32.852 31.823 0.319 0.000 1.001 365 V HN 0.685 nan 8.190 nan 0.000 0.424 366 F N 3.023 123.149 119.950 0.294 0.000 2.675 366 F HA 1.037 5.564 4.527 0.001 0.000 0.324 366 F C -0.315 175.709 175.800 0.373 0.000 1.106 366 F CA -1.442 56.734 58.000 0.294 0.000 0.970 366 F CB 1.898 41.062 39.000 0.272 0.000 1.385 366 F HN 0.529 nan 8.300 nan 0.000 0.489 367 A N 0.885 124.073 122.820 0.614 0.000 2.427 367 A HA 0.729 5.049 4.320 0.001 0.000 0.298 367 A C -1.202 176.811 177.584 0.715 0.000 1.036 367 A CA -0.576 51.845 52.037 0.640 0.000 0.701 367 A CB 1.298 20.571 19.000 0.455 0.000 1.250 367 A HN 0.837 nan 8.150 nan 0.000 0.412 368 T N 1.465 116.493 114.554 0.791 0.000 2.887 368 T HA 0.616 4.966 4.350 0.001 0.000 0.288 368 T C -1.541 173.564 174.700 0.675 0.000 1.021 368 T CA -0.124 62.366 62.100 0.649 0.000 1.000 368 T CB 1.114 70.339 68.868 0.595 0.000 1.034 368 T HN 0.625 nan 8.240 nan 0.000 0.467 369 Y N 1.682 122.223 120.300 0.401 0.000 2.373 369 Y HA 0.650 5.201 4.550 0.001 0.000 0.336 369 Y C -1.134 174.853 175.900 0.145 0.000 0.979 369 Y CA -0.866 57.415 58.100 0.301 0.000 1.080 369 Y CB 0.993 39.604 38.460 0.253 0.000 1.190 369 Y HN 0.810 nan 8.280 nan 0.000 0.446 370 A N 5.796 128.147 122.820 -0.781 0.000 2.371 370 A HA 0.744 5.064 4.320 0.001 0.000 0.311 370 A C -1.622 175.376 177.584 -0.977 0.000 1.068 370 A CA -0.952 50.640 52.037 -0.741 0.000 0.744 370 A CB 1.388 19.967 19.000 -0.702 0.000 1.239 370 A HN 0.696 nan 8.150 nan 0.000 0.435 371 K N 1.944 121.819 120.400 -0.876 0.000 2.507 371 K HA 0.624 4.944 4.320 0.001 0.000 0.252 371 K C -1.252 175.062 176.600 -0.477 0.000 0.943 371 K CA -0.377 55.411 56.287 -0.832 0.000 0.808 371 K CB 0.901 32.929 32.500 -0.786 0.000 1.142 371 K HN 0.865 nan 8.250 nan 0.000 0.426 372 W N 1.649 122.741 121.300 -0.347 0.000 2.929 372 W HA 0.696 5.357 4.660 0.001 0.000 0.345 372 W C -1.247 175.208 176.519 -0.107 0.000 1.151 372 W CA -0.833 56.390 57.345 -0.204 0.000 1.111 372 W CB 1.138 30.492 29.460 -0.177 0.000 1.449 372 W HN 0.498 nan 8.180 nan 0.000 0.572 373 D N 0.944 121.441 120.400 0.162 0.000 2.319 373 D HA 0.154 4.794 4.640 0.001 0.000 0.237 373 D C -1.292 175.091 176.300 0.138 0.000 1.353 373 D CA -0.256 53.804 54.000 0.100 0.000 0.992 373 D CB 0.910 41.749 40.800 0.064 0.000 1.368 373 D HN 0.493 nan 8.370 nan 0.000 0.564 374 E N 2.535 122.828 120.200 0.155 0.000 2.156 374 E HA 0.286 4.636 4.350 0.001 0.000 0.279 374 E C 0.189 176.826 176.600 0.062 0.000 0.965 374 E CA -0.518 55.905 56.400 0.038 0.000 0.789 374 E CB 2.289 31.967 29.700 -0.036 0.000 1.098 374 E HN 0.268 nan 8.360 nan 0.000 0.397 375 K N 2.793 123.248 120.400 0.092 0.000 2.399 375 K HA 0.133 4.453 4.320 0.001 0.000 0.204 375 K C -0.396 176.383 176.600 0.299 0.000 1.023 375 K CA -0.102 56.294 56.287 0.182 0.000 1.127 375 K CB 0.561 33.174 32.500 0.188 0.000 0.856 375 K HN 0.526 nan 8.250 nan 0.000 0.514 376 W N -1.257 120.051 121.300 0.014 0.000 3.059 376 W HA 0.589 5.249 4.660 0.001 0.000 0.329 376 W C -1.215 175.269 176.519 -0.057 0.000 1.246 376 W CA -1.001 56.316 57.345 -0.047 0.000 1.190 376 W CB 0.382 29.766 29.460 -0.127 0.000 1.423 376 W HN -0.071 nan 8.180 nan 0.000 0.571 377 G N 0.301 109.276 108.800 0.291 0.000 2.645 377 G HA2 0.617 4.577 3.960 0.001 0.000 0.292 377 G HA3 0.617 4.577 3.960 0.001 0.000 0.292 377 G C -2.788 172.168 174.900 0.094 0.000 1.415 377 G CA -1.003 44.135 45.100 0.065 0.000 0.785 377 G HN 0.470 nan 8.290 nan 0.000 0.483 378 Y N 0.020 120.412 120.300 0.154 0.000 2.334 378 Y HA 0.431 4.982 4.550 0.001 0.000 0.328 378 Y C 0.061 175.829 175.900 -0.221 0.000 1.130 378 Y CA -0.412 57.627 58.100 -0.101 0.000 1.163 378 Y CB 1.804 40.133 38.460 -0.220 0.000 1.207 378 Y HN 0.376 nan 8.280 nan 0.000 0.471 379 D N 1.854 122.057 120.400 -0.328 0.000 2.365 379 D HA 0.091 4.732 4.640 0.001 0.000 0.237 379 D C -0.920 175.031 176.300 -0.582 0.000 1.190 379 D CA 0.103 53.960 54.000 -0.237 0.000 0.867 379 D CB 0.107 40.702 40.800 -0.341 0.000 1.050 379 D HN 0.437 nan 8.370 nan 0.000 0.491 380 Y N 1.359 121.625 120.300 -0.057 0.000 2.706 380 Y HA 0.120 4.670 4.550 0.001 0.000 0.255 380 Y C 1.011 176.995 175.900 0.141 0.000 1.163 380 Y CA -0.490 57.417 58.100 -0.322 0.000 1.174 380 Y CB 0.115 38.455 38.460 -0.200 0.000 1.200 380 Y HN 0.228 nan 8.280 nan 0.000 0.544 381 T N -2.315 112.437 114.554 0.330 0.000 2.882 381 T HA 0.610 4.960 4.350 0.001 0.000 0.287 381 T C 1.094 176.032 174.700 0.396 0.000 1.014 381 T CA 0.244 62.545 62.100 0.335 0.000 1.049 381 T CB 1.435 70.482 68.868 0.299 0.000 1.001 381 T HN 0.644 nan 8.240 nan 0.000 0.525 382 G N 1.724 110.682 108.800 0.264 0.000 2.512 382 G HA2 -0.223 3.737 3.960 0.001 0.000 0.254 382 G HA3 -0.223 3.737 3.960 0.001 0.000 0.254 382 G C -0.376 174.571 174.900 0.078 0.000 1.199 382 G CA 0.090 45.288 45.100 0.165 0.000 0.941 382 G HN 1.150 nan 8.290 nan 0.000 0.569 383 N N -0.712 117.899 118.700 -0.148 0.000 2.405 383 N HA 0.553 5.294 4.740 0.001 0.000 0.285 383 N C 1.142 176.166 175.510 -0.810 0.000 1.262 383 N CA -0.068 52.707 53.050 -0.457 0.000 0.773 383 N CB 1.641 39.903 38.487 -0.375 0.000 1.490 383 N HN 1.069 nan 8.380 nan 0.000 0.486 384 A N 0.402 122.621 122.820 -1.001 0.000 2.067 384 A HA -0.128 4.193 4.320 0.001 0.000 0.219 384 A C 1.435 178.767 177.584 -0.421 0.000 1.158 384 A CA 1.470 53.046 52.037 -0.769 0.000 0.661 384 A CB -0.280 18.503 19.000 -0.361 0.000 0.801 384 A HN 0.782 nan 8.150 nan 0.000 0.452 385 D N -0.268 119.719 120.400 -0.688 0.000 2.144 385 D HA -0.078 4.562 4.640 0.001 0.000 0.207 385 D C 1.756 177.864 176.300 -0.320 0.000 0.970 385 D CA 1.000 54.641 54.000 -0.600 0.000 0.853 385 D CB -0.141 39.887 40.800 -1.287 0.000 1.007 385 D HN 0.279 nan 8.370 nan 0.000 0.469 386 N N 0.714 119.231 118.700 -0.305 0.000 2.039 386 N HA -0.124 4.617 4.740 0.001 0.000 0.193 386 N C 0.669 176.137 175.510 -0.069 0.000 1.044 386 N CA 0.716 53.682 53.050 -0.139 0.000 0.847 386 N CB -0.789 37.645 38.487 -0.088 0.000 1.030 386 N HN 0.155 nan 8.380 nan 0.000 0.422 387 N N 0.371 119.039 118.700 -0.053 0.000 2.514 387 N HA 0.266 5.006 4.740 0.001 0.000 0.277 387 N C -0.183 175.348 175.510 0.033 0.000 1.126 387 N CA 0.003 53.087 53.050 0.056 0.000 0.978 387 N CB 1.350 39.974 38.487 0.228 0.000 1.106 387 N HN 0.164 nan 8.380 nan 0.000 0.461 388 A N 3.023 125.872 122.820 0.048 0.000 2.382 388 A HA 0.175 4.496 4.320 0.001 0.000 0.228 388 A C 0.979 178.582 177.584 0.031 0.000 1.217 388 A CA -0.033 52.019 52.037 0.026 0.000 0.923 388 A CB 0.061 19.069 19.000 0.014 0.000 0.979 388 A HN 0.622 nan 8.150 nan 0.000 0.515 389 N N -0.818 117.907 118.700 0.042 0.000 2.235 389 N HA 0.209 4.950 4.740 0.001 0.000 0.209 389 N C -0.444 175.021 175.510 -0.075 0.000 1.122 389 N CA -0.355 52.674 53.050 -0.035 0.000 0.845 389 N CB -0.345 38.107 38.487 -0.058 0.000 1.004 389 N HN 0.392 nan 8.380 nan 0.000 0.499 390 F N 0.904 120.759 119.950 -0.159 0.000 2.571 390 F HA 0.247 4.774 4.527 0.001 0.000 0.390 390 F C 1.587 177.211 175.800 -0.293 0.000 1.043 390 F CA 0.945 58.805 58.000 -0.233 0.000 1.164 390 F CB 0.042 38.869 39.000 -0.288 0.000 1.049 390 F HN 0.275 nan 8.300 nan 0.000 0.552 391 G N 3.859 112.108 108.800 -0.918 0.000 2.157 391 G HA2 -0.252 3.708 3.960 0.001 0.000 0.248 391 G HA3 -0.252 3.708 3.960 0.001 0.000 0.248 391 G C 0.195 174.960 174.900 -0.226 0.000 0.979 391 G CA -0.086 44.612 45.100 -0.671 0.000 0.650 391 G HN 0.583 nan 8.290 nan 0.000 0.529 392 K N 0.423 120.684 120.400 -0.231 0.000 2.098 392 K HA 0.715 5.035 4.320 0.001 0.000 0.258 392 K C 0.586 177.061 176.600 -0.208 0.000 0.973 392 K CA -0.068 56.138 56.287 -0.135 0.000 0.898 392 K CB 1.800 34.182 32.500 -0.198 0.000 1.057 392 K HN 0.510 nan 8.250 nan 0.000 0.447 393 A N 1.599 124.264 122.820 -0.259 0.000 2.477 393 A HA 0.345 4.665 4.320 0.001 0.000 0.246 393 A C -0.347 176.944 177.584 -0.488 0.000 1.078 393 A CA -0.161 51.592 52.037 -0.473 0.000 0.770 393 A CB 0.401 18.925 19.000 -0.793 0.000 1.011 393 A HN 0.405 nan 8.150 nan 0.000 0.494 394 V N 4.694 124.333 119.914 -0.458 0.000 2.932 394 V HA 0.452 4.572 4.120 0.001 0.000 0.307 394 V C -2.375 173.530 176.094 -0.315 0.000 1.147 394 V CA -1.480 60.417 62.300 -0.672 0.000 0.951 394 V CB 2.728 33.808 31.823 -1.237 0.000 1.031 394 V HN 0.883 nan 8.190 nan 0.000 0.426 395 P HA 0.092 nan 4.420 nan 0.000 0.269 395 P C 0.588 178.019 177.300 0.218 0.000 1.217 395 P CA 0.363 63.507 63.100 0.073 0.000 0.783 395 P CB 0.830 32.589 31.700 0.098 0.000 0.898 396 A N 2.739 125.718 122.820 0.266 0.000 1.958 396 A HA -0.235 4.085 4.320 0.001 0.000 0.221 396 A C 1.338 179.155 177.584 0.388 0.000 1.178 396 A CA 2.491 54.715 52.037 0.313 0.000 0.642 396 A CB -1.312 17.812 19.000 0.207 0.000 0.816 396 A HN 0.668 nan 8.150 nan 0.000 0.453 397 D N -2.570 118.021 120.400 0.318 0.000 2.363 397 D HA 0.117 4.757 4.640 0.001 0.000 0.214 397 D C 0.389 176.900 176.300 0.351 0.000 1.093 397 D CA -0.707 53.466 54.000 0.288 0.000 0.837 397 D CB -0.826 40.078 40.800 0.173 0.000 0.948 397 D HN 0.253 nan 8.370 nan 0.000 0.507 398 F N 2.812 122.879 119.950 0.196 0.000 2.537 398 F HA -0.076 4.451 4.527 0.001 0.000 0.402 398 F C 0.878 176.777 175.800 0.164 0.000 1.005 398 F CA 0.322 58.365 58.000 0.073 0.000 1.203 398 F CB 0.016 38.895 39.000 -0.202 0.000 0.955 398 F HN -0.016 nan 8.300 nan 0.000 0.547 399 N N 4.350 122.764 118.700 -0.478 0.000 2.716 399 N HA -0.228 4.512 4.740 0.001 0.000 0.250 399 N C 1.139 176.591 175.510 -0.096 0.000 1.033 399 N CA 1.269 54.060 53.050 -0.432 0.000 0.727 399 N CB -1.201 36.839 38.487 -0.745 0.000 0.950 399 N HN 1.296 nan 8.380 nan 0.000 0.541 400 G N -2.406 106.397 108.800 0.004 0.000 2.328 400 G HA2 -0.330 3.631 3.960 0.001 0.000 0.256 400 G HA3 -0.330 3.631 3.960 0.001 0.000 0.256 400 G C 0.804 175.755 174.900 0.084 0.000 1.014 400 G CA 1.131 46.256 45.100 0.042 0.000 0.620 400 G HN 0.869 nan 8.290 nan 0.000 0.530 401 G N -0.261 108.632 108.800 0.155 0.000 2.485 401 G HA2 0.634 4.595 3.960 0.001 0.000 0.260 401 G HA3 0.634 4.595 3.960 0.001 0.000 0.260 401 G C 0.311 175.248 174.900 0.062 0.000 1.459 401 G CA 1.174 46.334 45.100 0.099 0.000 1.060 401 G HN 1.919 nan 8.290 nan 0.000 0.546 402 S N -1.605 113.910 115.700 -0.308 0.000 2.566 402 S HA 0.672 5.142 4.470 0.001 0.000 0.273 402 S C -1.445 172.728 174.600 -0.713 0.000 1.157 402 S CA -0.846 57.209 58.200 -0.243 0.000 0.938 402 S CB 1.327 64.474 63.200 -0.088 0.000 1.087 402 S HN 0.391 nan 8.310 nan 0.000 0.474 403 F N 1.408 121.412 119.950 0.090 0.000 2.546 403 F HA 0.928 5.455 4.527 0.001 0.000 0.320 403 F C 1.065 176.880 175.800 0.025 0.000 1.076 403 F CA 0.420 58.457 58.000 0.062 0.000 0.928 403 F CB 1.839 40.877 39.000 0.062 0.000 1.189 403 F HN 1.335 nan 8.300 nan 0.000 0.465 404 G N 1.831 110.688 108.800 0.096 0.000 2.757 404 G HA2 -0.200 3.760 3.960 0.001 0.000 0.638 404 G HA3 -0.200 3.760 3.960 0.001 0.000 0.638 404 G C 0.019 174.914 174.900 -0.009 0.000 1.344 404 G CA -0.725 44.361 45.100 -0.023 0.000 0.855 404 G HN 0.744 nan 8.290 nan 0.000 0.537 405 R N 0.454 120.938 120.500 -0.027 0.000 2.300 405 R HA 0.442 4.782 4.340 0.001 0.000 0.199 405 R C 1.790 178.267 176.300 0.295 0.000 0.920 405 R CA 1.926 58.047 56.100 0.035 0.000 1.046 405 R CB -0.156 29.980 30.300 -0.272 0.000 0.984 405 R HN 2.250 nan 8.270 nan 0.000 0.493 406 G N 0.729 109.667 108.800 0.230 0.000 2.484 406 G HA2 -0.259 3.702 3.960 0.001 0.000 0.225 406 G HA3 -0.259 3.702 3.960 0.001 0.000 0.225 406 G C -1.250 173.767 174.900 0.195 0.000 1.250 406 G CA -0.076 45.149 45.100 0.208 0.000 0.926 406 G HN 0.293 nan 8.290 nan 0.000 0.581 407 D N 0.056 120.465 120.400 0.015 0.000 2.330 407 D HA 0.659 5.300 4.640 0.001 0.000 0.249 407 D C -0.063 175.996 176.300 -0.402 0.000 1.306 407 D CA 0.722 54.613 54.000 -0.182 0.000 0.956 407 D CB 0.946 41.703 40.800 -0.071 0.000 1.261 407 D HN 0.659 nan 8.370 nan 0.000 0.544 408 S N 2.382 117.489 115.700 -0.989 0.000 3.121 408 S HA 0.670 5.141 4.470 0.001 0.000 0.324 408 S C -1.665 172.067 174.600 -1.447 0.000 1.192 408 S CA -0.446 57.190 58.200 -0.939 0.000 0.937 408 S CB 1.329 64.220 63.200 -0.516 0.000 1.336 408 S HN 0.367 nan 8.310 nan 0.000 0.664 409 D N 0.132 119.897 120.400 -1.057 0.000 2.626 409 D HA 0.805 5.445 4.640 0.001 0.000 0.278 409 D C -1.560 174.523 176.300 -0.362 0.000 1.211 409 D CA 0.012 53.544 54.000 -0.779 0.000 0.903 409 D CB 1.961 42.603 40.800 -0.263 0.000 1.408 409 D HN 0.386 nan 8.370 nan 0.000 0.454 410 E N -0.199 119.874 120.200 -0.212 0.000 2.405 410 E HA 0.378 4.728 4.350 0.001 0.000 0.283 410 E C -1.863 174.879 176.600 0.236 0.000 1.140 410 E CA -0.821 55.649 56.400 0.117 0.000 0.904 410 E CB 0.579 30.430 29.700 0.253 0.000 1.209 410 E HN 0.403 nan 8.360 nan 0.000 0.428 411 W N 2.630 124.094 121.300 0.272 0.000 2.936 411 W HA 0.832 5.493 4.660 0.001 0.000 0.338 411 W C -1.084 175.730 176.519 0.491 0.000 1.121 411 W CA -0.472 57.114 57.345 0.402 0.000 1.209 411 W CB 0.701 30.423 29.460 0.437 0.000 1.420 411 W HN 0.685 nan 8.180 nan 0.000 0.516 412 T N -0.006 114.895 114.554 0.578 0.000 2.864 412 T HA 0.896 5.247 4.350 0.001 0.000 0.289 412 T C -1.076 173.998 174.700 0.624 0.000 1.082 412 T CA -0.610 61.686 62.100 0.327 0.000 1.009 412 T CB 2.512 71.588 68.868 0.346 0.000 1.234 412 T HN 0.866 nan 8.240 nan 0.000 0.526 413 F N -2.466 117.624 119.950 0.233 0.000 2.719 413 F HA 0.872 5.399 4.527 0.001 0.000 0.309 413 F C -0.276 175.379 175.800 -0.242 0.000 1.138 413 F CA -0.412 57.568 58.000 -0.035 0.000 0.943 413 F CB 1.178 40.262 39.000 0.140 0.000 1.304 413 F HN 1.161 nan 8.300 nan 0.000 0.445 414 G N 0.012 108.408 108.800 -0.672 0.000 2.336 414 G HA2 0.704 4.664 3.960 0.001 0.000 0.286 414 G HA3 0.704 4.664 3.960 0.001 0.000 0.286 414 G C -2.345 172.365 174.900 -0.316 0.000 1.269 414 G CA -0.242 44.706 45.100 -0.253 0.000 0.873 414 G HN 1.636 nan 8.290 nan 0.000 0.494 415 A N -0.727 122.141 122.820 0.080 0.000 2.401 415 A HA 0.933 5.253 4.320 0.001 0.000 0.310 415 A C -0.517 177.245 177.584 0.296 0.000 1.075 415 A CA -0.272 51.893 52.037 0.213 0.000 0.746 415 A CB 2.177 21.283 19.000 0.178 0.000 1.277 415 A HN 0.962 nan 8.150 nan 0.000 0.425 416 Q N 0.343 120.335 119.800 0.319 0.000 2.435 416 Q HA 0.615 4.956 4.340 0.001 0.000 0.282 416 Q C -1.876 174.234 176.000 0.184 0.000 1.020 416 Q CA -0.748 55.204 55.803 0.249 0.000 0.820 416 Q CB 2.026 30.943 28.738 0.299 0.000 1.436 416 Q HN 1.004 nan 8.270 nan 0.000 0.395 417 M N 0.390 120.063 119.600 0.122 0.000 2.456 417 M HA 0.642 5.123 4.480 0.001 0.000 0.324 417 M C -1.190 175.151 176.300 0.068 0.000 1.124 417 M CA -0.288 55.064 55.300 0.086 0.000 0.959 417 M CB 1.961 34.585 32.600 0.040 0.000 1.692 417 M HN 0.488 nan 8.290 nan 0.000 0.444 418 E N 2.549 122.776 120.200 0.046 0.000 2.293 418 E HA 0.819 5.169 4.350 0.001 0.000 0.270 418 E C -1.986 174.570 176.600 -0.074 0.000 0.879 418 E CA -0.899 55.512 56.400 0.018 0.000 0.756 418 E CB 2.393 32.172 29.700 0.131 0.000 1.208 418 E HN 0.943 nan 8.360 nan 0.000 0.428 419 I N 3.568 124.069 120.570 -0.116 0.000 2.785 419 I HA 0.467 4.637 4.170 0.001 0.000 0.293 419 I C -2.134 174.106 176.117 0.204 0.000 1.446 419 I CA -0.636 60.630 61.300 -0.055 0.000 1.028 419 I CB 1.056 39.072 38.000 0.026 0.000 1.349 419 I HN 0.693 nan 8.210 nan 0.000 0.438 420 W N 6.082 127.529 121.300 0.246 0.000 2.819 420 W HA 0.835 5.495 4.660 0.001 0.000 0.337 420 W C -1.636 175.047 176.519 0.273 0.000 1.077 420 W CA -0.742 56.736 57.345 0.222 0.000 1.226 420 W CB 0.123 29.708 29.460 0.209 0.000 1.419 420 W HN 0.665 nan 8.180 nan 0.000 0.502 421 W N 0.000 121.450 121.300 0.250 0.000 2.388 421 W HA 0.000 4.660 4.660 0.001 0.000 0.303 421 W CA 0.000 57.436 57.345 0.152 0.000 1.226 421 W CB 0.000 29.462 29.460 0.003 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535