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 2fym_1_D DATA FIRST_RESID 1 DATA SEQUENCE SKIVKIIGRE IIDSRGNPTV EAEVHLEGGF VGMAAAPSGA STGSREALEL DATA SEQUENCE RDGDKSRFLG KGVTKAVAAV NGPIAQALIG KDAKDQAGID KIMIDLDGTE DATA SEQUENCE NKSKFGANAI LAVSLANAKA AAAAKGMPLY EHIAELNGTP GKYSMPVPMM DATA SEQUENCE NIINGGEHAD NNVDIQEFMI QPVGAKTVKE AIRMGSEVFH HLAKVLKAKG DATA SEQUENCE MNTAVGDEGG YAPNLGSNAE ALAVIAEAVK AAGYELGKDI TLAMDCAASE DATA SEQUENCE FYKDGKYVLA XXXNKAFTSE EFTHFLEELT KQYPIVSIED GLDESDWDGF DATA SEQUENCE AYQTKVLGDK IQLVGDDLFV TNTKILKEGI EKGIANSILI KFNQIGSLTE DATA SEQUENCE TLAAIKMAKD AGYTAVISHR SGETEDATIA DLAVGTAAGQ IKTGSMSRSD DATA SEQUENCE RVAKYNQLIR IEEALGEKAP YNGRKEIKGQ 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.611 174.600 0.019 0.000 1.055 1 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 1 S CB 0.000 63.157 63.200 -0.072 0.000 0.593 2 K N 3.655 124.079 120.400 0.040 0.000 2.349 2 K HA 0.362 4.682 4.320 -0.000 0.000 0.288 2 K C -0.267 176.361 176.600 0.047 0.000 1.058 2 K CA -0.357 55.952 56.287 0.036 0.000 0.953 2 K CB 0.302 32.822 32.500 0.034 0.000 0.997 2 K HN 0.595 nan 8.250 nan 0.000 0.477 3 I N 5.854 126.446 120.570 0.036 0.000 2.587 3 I HA -0.100 4.070 4.170 -0.000 0.000 0.284 3 I C 1.266 177.407 176.117 0.040 0.000 1.134 3 I CA -0.112 61.213 61.300 0.041 0.000 1.410 3 I CB 0.806 38.822 38.000 0.027 0.000 1.392 3 I HN 0.577 nan 8.210 nan 0.000 0.545 4 V N 2.421 122.368 119.914 0.054 0.000 3.612 4 V HA 0.345 4.465 4.120 -0.000 0.000 0.268 4 V C 0.321 176.429 176.094 0.023 0.000 1.365 4 V CA 0.158 62.478 62.300 0.035 0.000 1.044 4 V CB -0.035 31.806 31.823 0.031 0.000 0.820 4 V HN 0.768 nan 8.190 nan 0.000 0.444 5 K N 0.319 120.751 120.400 0.053 0.000 2.557 5 K HA 0.695 5.015 4.320 -0.000 0.000 0.257 5 K C -1.930 174.723 176.600 0.088 0.000 0.933 5 K CA -0.596 55.708 56.287 0.027 0.000 0.820 5 K CB 2.506 34.961 32.500 -0.075 0.000 1.330 5 K HN 0.282 nan 8.250 nan 0.000 0.432 6 I N 5.525 126.121 120.570 0.043 0.000 2.466 6 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 6 I C -0.768 175.364 176.117 0.025 0.000 1.026 6 I CA -0.869 60.459 61.300 0.048 0.000 1.078 6 I CB 1.805 39.809 38.000 0.006 0.000 1.249 6 I HN 0.490 nan 8.210 nan 0.000 0.429 7 I N 4.785 125.383 120.570 0.047 0.000 2.466 7 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 7 I C 0.289 176.411 176.117 0.008 0.000 1.026 7 I CA -0.441 60.872 61.300 0.022 0.000 1.078 7 I CB 2.138 40.162 38.000 0.040 0.000 1.249 7 I HN 0.614 nan 8.210 nan 0.000 0.429 8 G N 5.310 114.102 108.800 -0.012 0.000 2.400 8 G HA2 0.818 4.778 3.960 -0.000 0.000 0.333 8 G HA3 0.818 4.778 3.960 -0.000 0.000 0.333 8 G C -0.948 173.944 174.900 -0.013 0.000 1.143 8 G CA -0.578 44.510 45.100 -0.019 0.000 0.914 8 G HN 0.748 nan 8.290 nan 0.000 0.480 9 R N 0.316 120.808 120.500 -0.013 0.000 2.739 9 R HA 0.552 4.892 4.340 -0.000 0.000 0.271 9 R C -1.234 175.054 176.300 -0.019 0.000 1.010 9 R CA -0.932 55.162 56.100 -0.009 0.000 0.897 9 R CB 1.924 32.225 30.300 0.001 0.000 1.236 9 R HN 0.460 nan 8.270 nan 0.000 0.466 10 E N 3.534 123.724 120.200 -0.016 0.000 2.130 10 E HA 0.286 4.636 4.350 -0.000 0.000 0.284 10 E C -0.329 176.248 176.600 -0.038 0.000 1.018 10 E CA -0.680 55.695 56.400 -0.041 0.000 0.817 10 E CB 0.680 30.360 29.700 -0.033 0.000 1.078 10 E HN 0.510 nan 8.360 nan 0.000 0.396 11 I N 0.885 121.418 120.570 -0.060 0.000 3.436 11 I HA 0.543 4.713 4.170 -0.000 0.000 0.296 11 I C -0.624 175.437 176.117 -0.093 0.000 1.143 11 I CA -1.243 60.028 61.300 -0.048 0.000 1.009 11 I CB 1.302 39.286 38.000 -0.027 0.000 1.301 11 I HN 0.256 nan 8.210 nan 0.000 0.503 12 I N 2.249 122.784 120.570 -0.058 0.000 2.441 12 I HA 0.343 4.513 4.170 -0.000 0.000 0.295 12 I C -0.587 175.500 176.117 -0.050 0.000 0.994 12 I CA -0.262 60.995 61.300 -0.072 0.000 1.144 12 I CB 1.134 39.129 38.000 -0.008 0.000 1.314 12 I HN 0.741 nan 8.210 nan 0.000 0.445 13 D N 3.110 123.473 120.400 -0.062 0.000 2.466 13 D HA 0.115 4.755 4.640 -0.000 0.000 0.262 13 D C 0.981 177.265 176.300 -0.027 0.000 1.177 13 D CA -0.388 53.587 54.000 -0.042 0.000 1.035 13 D CB 0.621 41.392 40.800 -0.049 0.000 1.105 13 D HN 0.444 nan 8.370 nan 0.000 0.551 14 S N -0.980 114.704 115.700 -0.027 0.000 2.507 14 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 14 S C 1.315 175.902 174.600 -0.021 0.000 0.988 14 S CA 0.269 58.456 58.200 -0.022 0.000 0.944 14 S CB -0.369 62.813 63.200 -0.030 0.000 0.762 14 S HN 0.510 nan 8.310 nan 0.000 0.526 15 R N 0.359 120.844 120.500 -0.026 0.000 2.362 15 R HA 0.300 4.640 4.340 -0.000 0.000 0.227 15 R C 1.282 177.583 176.300 0.000 0.000 0.905 15 R CA 0.386 56.474 56.100 -0.020 0.000 1.067 15 R CB 0.236 30.516 30.300 -0.034 0.000 1.078 15 R HN 0.547 nan 8.270 nan 0.000 0.516 16 G N 1.416 110.218 108.800 0.004 0.000 2.141 16 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.242 16 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.242 16 G C -0.322 174.596 174.900 0.029 0.000 0.982 16 G CA -0.323 44.798 45.100 0.034 0.000 0.662 16 G HN 0.255 nan 8.290 nan 0.000 0.527 17 N N 0.974 119.652 118.700 -0.037 0.000 2.456 17 N HA 0.530 5.270 4.740 -0.000 0.000 0.296 17 N C -2.802 172.563 175.510 -0.242 0.000 1.102 17 N CA -1.478 51.505 53.050 -0.112 0.000 0.924 17 N CB 1.706 40.151 38.487 -0.070 0.000 1.186 17 N HN -0.008 nan 8.380 nan 0.000 0.492 18 P HA 0.091 nan 4.420 nan 0.000 0.269 18 P C -0.125 177.033 177.300 -0.237 0.000 1.209 18 P CA 0.272 63.085 63.100 -0.479 0.000 0.776 18 P CB 0.695 31.984 31.700 -0.684 0.000 0.876 19 T N 0.743 115.193 114.554 -0.174 0.000 2.754 19 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 19 T C -1.271 173.378 174.700 -0.084 0.000 1.205 19 T CA -0.624 61.413 62.100 -0.106 0.000 1.009 19 T CB 0.773 69.598 68.868 -0.071 0.000 1.368 19 T HN -0.043 nan 8.240 nan 0.000 0.509 20 V N 2.539 122.417 119.914 -0.061 0.000 2.465 20 V HA 0.533 4.653 4.120 -0.000 0.000 0.279 20 V C 0.175 176.243 176.094 -0.043 0.000 1.045 20 V CA -0.454 61.816 62.300 -0.050 0.000 0.938 20 V CB 1.147 32.944 31.823 -0.044 0.000 0.986 20 V HN 0.847 nan 8.190 nan 0.000 0.467 21 E N 3.304 123.483 120.200 -0.035 0.000 2.195 21 E HA 0.767 5.117 4.350 -0.000 0.000 0.271 21 E C -0.779 175.807 176.600 -0.024 0.000 0.923 21 E CA -0.651 55.733 56.400 -0.027 0.000 0.790 21 E CB 1.915 31.605 29.700 -0.017 0.000 1.155 21 E HN 0.847 nan 8.360 nan 0.000 0.402 22 A N 3.869 126.674 122.820 -0.025 0.000 2.401 22 A HA 0.545 4.865 4.320 -0.000 0.000 0.310 22 A C -1.125 176.452 177.584 -0.012 0.000 1.075 22 A CA -0.724 51.302 52.037 -0.019 0.000 0.746 22 A CB 1.439 20.420 19.000 -0.032 0.000 1.277 22 A HN 0.717 nan 8.150 nan 0.000 0.425 23 E N 0.438 120.646 120.200 0.013 0.000 2.199 23 E HA 0.553 4.903 4.350 -0.000 0.000 0.269 23 E C -1.413 175.201 176.600 0.024 0.000 0.899 23 E CA -0.807 55.594 56.400 0.001 0.000 0.772 23 E CB 2.478 32.230 29.700 0.087 0.000 1.155 23 E HN 0.322 nan 8.360 nan 0.000 0.408 24 V N 3.599 123.476 119.914 -0.061 0.000 2.409 24 V HA 0.243 4.363 4.120 -0.000 0.000 0.291 24 V C -0.516 175.514 176.094 -0.106 0.000 1.020 24 V CA -0.728 61.563 62.300 -0.015 0.000 0.848 24 V CB 1.214 33.026 31.823 -0.019 0.000 0.990 24 V HN 0.661 nan 8.190 nan 0.000 0.430 25 H N 5.353 124.428 119.070 0.009 0.000 2.466 25 H HA 0.632 5.188 4.556 -0.000 0.000 0.338 25 H C -0.860 174.487 175.328 0.032 0.000 1.091 25 H CA -0.458 55.600 56.048 0.018 0.000 1.207 25 H CB 2.315 32.076 29.762 -0.000 0.000 1.466 25 H HN 0.425 nan 8.280 nan 0.000 0.493 26 L N 1.049 122.366 121.223 0.158 0.000 2.322 26 L HA 0.301 4.641 4.340 -0.000 0.000 0.269 26 L C 0.669 177.623 176.870 0.140 0.000 1.012 26 L CA -0.978 53.953 54.840 0.151 0.000 0.815 26 L CB 1.894 44.070 42.059 0.195 0.000 1.295 26 L HN 0.552 nan 8.230 nan 0.000 0.438 27 E N 0.623 120.892 120.200 0.115 0.000 2.608 27 E HA 0.103 4.453 4.350 -0.000 0.000 0.259 27 E C 0.926 177.585 176.600 0.098 0.000 0.951 27 E CA 1.188 57.636 56.400 0.081 0.000 0.945 27 E CB 0.302 30.046 29.700 0.073 0.000 0.916 27 E HN 0.804 nan 8.360 nan 0.000 0.477 28 G N 2.655 111.434 108.800 -0.036 0.000 2.194 28 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.236 28 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.236 28 G C 0.859 175.423 174.900 -0.561 0.000 0.987 28 G CA 0.248 45.213 45.100 -0.225 0.000 0.635 28 G HN 1.551 nan 8.290 nan 0.000 0.520 29 G N -1.245 107.351 108.800 -0.341 0.000 2.213 29 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.236 29 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.236 29 G C 0.433 175.174 174.900 -0.265 0.000 0.991 29 G CA 0.300 45.230 45.100 -0.284 0.000 0.629 29 G HN 1.324 nan 8.290 nan 0.000 0.517 30 F N 0.501 120.444 119.950 -0.011 0.000 2.607 30 F HA 0.505 5.032 4.527 -0.000 0.000 0.374 30 F C 0.844 176.587 175.800 -0.094 0.000 1.104 30 F CA 0.300 58.270 58.000 -0.050 0.000 1.296 30 F CB 1.091 40.056 39.000 -0.059 0.000 1.085 30 F HN 0.142 nan 8.300 nan 0.000 0.584 31 V N 2.121 122.046 119.914 0.018 0.000 2.971 31 V HA 0.917 5.037 4.120 -0.000 0.000 0.309 31 V C -0.480 175.534 176.094 -0.134 0.000 1.130 31 V CA -0.374 61.807 62.300 -0.199 0.000 0.964 31 V CB 2.115 33.696 31.823 -0.404 0.000 1.029 31 V HN 0.927 nan 8.190 nan 0.000 0.427 32 G N 4.657 113.358 108.800 -0.166 0.000 2.571 32 G HA2 0.724 4.684 3.960 -0.000 0.000 0.304 32 G HA3 0.724 4.684 3.960 -0.000 0.000 0.304 32 G C -1.420 173.418 174.900 -0.103 0.000 1.314 32 G CA -0.670 44.370 45.100 -0.100 0.000 0.975 32 G HN 0.884 nan 8.290 nan 0.000 0.485 33 M N 1.436 121.000 119.600 -0.061 0.000 2.386 33 M HA 0.727 5.207 4.480 -0.000 0.000 0.293 33 M C -0.964 175.322 176.300 -0.022 0.000 1.120 33 M CA -0.552 54.722 55.300 -0.042 0.000 0.909 33 M CB 2.230 34.810 32.600 -0.032 0.000 1.661 33 M HN 0.876 nan 8.290 nan 0.000 0.452 34 A N 2.704 125.510 122.820 -0.024 0.000 2.606 34 A HA 0.991 5.311 4.320 -0.000 0.000 0.293 34 A C -1.925 175.642 177.584 -0.029 0.000 1.082 34 A CA -0.466 51.559 52.037 -0.020 0.000 0.685 34 A CB 1.606 20.587 19.000 -0.032 0.000 1.284 34 A HN 1.044 nan 8.150 nan 0.000 0.408 35 A N 0.003 122.810 122.820 -0.022 0.000 2.413 35 A HA 0.909 5.229 4.320 -0.000 0.000 0.307 35 A C 0.037 177.597 177.584 -0.040 0.000 1.087 35 A CA -0.050 51.970 52.037 -0.028 0.000 0.750 35 A CB 1.309 20.302 19.000 -0.012 0.000 1.296 35 A HN 2.458 nan 8.150 nan 0.000 0.423 36 A N 2.465 125.255 122.820 -0.051 0.000 2.331 36 A HA 0.743 5.063 4.320 -0.000 0.000 0.283 36 A C -2.286 175.301 177.584 0.004 0.000 1.142 36 A CA -1.491 50.516 52.037 -0.051 0.000 0.812 36 A CB -0.121 18.842 19.000 -0.061 0.000 1.074 36 A HN 0.608 nan 8.150 nan 0.000 0.497 37 P HA 0.198 nan 4.420 nan 0.000 0.277 37 P C 0.111 177.429 177.300 0.029 0.000 1.271 37 P CA -0.272 62.864 63.100 0.060 0.000 0.795 37 P CB 0.613 32.388 31.700 0.126 0.000 1.101 38 S N -1.169 114.536 115.700 0.009 0.000 2.579 38 S HA 0.530 5.000 4.470 -0.000 0.000 0.275 38 S C 0.551 175.161 174.600 0.017 0.000 1.345 38 S CA 0.261 58.460 58.200 -0.003 0.000 1.031 38 S CB -0.086 63.102 63.200 -0.021 0.000 0.892 38 S HN 0.802 nan 8.310 nan 0.000 0.529 39 G N 0.310 109.119 108.800 0.015 0.000 2.976 39 G HA2 0.727 4.687 3.960 -0.000 0.000 0.276 39 G HA3 0.727 4.687 3.960 -0.000 0.000 0.276 39 G C -1.184 173.729 174.900 0.021 0.000 1.207 39 G CA -0.504 44.613 45.100 0.028 0.000 0.803 39 G HN 1.237 nan 8.290 nan 0.000 0.572 40 A N -0.547 122.289 122.820 0.026 0.000 2.324 40 A HA 0.644 4.964 4.320 -0.000 0.000 0.330 40 A C 0.849 178.444 177.584 0.019 0.000 1.165 40 A CA 0.402 52.453 52.037 0.023 0.000 0.813 40 A CB 1.518 20.535 19.000 0.028 0.000 1.197 40 A HN 1.589 nan 8.150 nan 0.000 0.484 41 S N 0.211 115.921 115.700 0.016 0.000 2.523 41 S HA 0.229 4.699 4.470 -0.000 0.000 0.217 41 S C 0.596 175.204 174.600 0.013 0.000 0.996 41 S CA 0.660 58.868 58.200 0.014 0.000 0.921 41 S CB -0.363 62.844 63.200 0.012 0.000 0.829 41 S HN 1.348 nan 8.310 nan 0.000 0.495 42 T N -2.025 112.538 114.554 0.015 0.000 2.906 42 T HA 0.790 5.140 4.350 -0.000 0.000 0.295 42 T C -0.125 174.584 174.700 0.016 0.000 1.075 42 T CA -0.353 61.755 62.100 0.013 0.000 1.005 42 T CB 1.495 70.370 68.868 0.013 0.000 1.136 42 T HN 1.260 nan 8.240 nan 0.000 0.498 43 G N 0.116 108.924 108.800 0.014 0.000 2.316 43 G HA2 0.342 4.302 3.960 -0.000 0.000 0.468 43 G HA3 0.342 4.302 3.960 -0.000 0.000 0.468 43 G C 0.104 175.012 174.900 0.014 0.000 1.523 43 G CA 0.029 45.139 45.100 0.016 0.000 0.972 43 G HN 1.578 nan 8.290 nan 0.000 0.667 44 S N -0.738 114.971 115.700 0.014 0.000 2.556 44 S HA 0.184 4.654 4.470 -0.000 0.000 0.216 44 S C 1.541 176.149 174.600 0.014 0.000 0.970 44 S CA 0.564 58.770 58.200 0.010 0.000 0.912 44 S CB 0.290 63.493 63.200 0.006 0.000 0.790 44 S HN 0.686 nan 8.310 nan 0.000 0.504 45 R N 1.046 121.560 120.500 0.023 0.000 2.342 45 R HA 0.308 4.648 4.340 -0.000 0.000 0.204 45 R C 0.548 176.872 176.300 0.040 0.000 0.882 45 R CA 0.295 56.415 56.100 0.033 0.000 1.041 45 R CB 0.289 30.616 30.300 0.045 0.000 1.188 45 R HN 0.664 nan 8.270 nan 0.000 0.598 46 E N 0.989 121.212 120.200 0.037 0.000 2.299 46 E HA 0.653 5.003 4.350 -0.000 0.000 0.260 46 E C -0.989 175.629 176.600 0.031 0.000 0.944 46 E CA -1.099 55.327 56.400 0.042 0.000 0.815 46 E CB 1.320 31.050 29.700 0.050 0.000 1.252 46 E HN -0.024 nan 8.360 nan 0.000 0.418 47 A N 1.642 124.482 122.820 0.033 0.000 2.477 47 A HA 0.340 4.660 4.320 -0.000 0.000 0.246 47 A C -0.110 177.488 177.584 0.024 0.000 1.078 47 A CA -0.304 51.748 52.037 0.024 0.000 0.770 47 A CB -0.085 18.931 19.000 0.027 0.000 1.011 47 A HN 0.512 nan 8.150 nan 0.000 0.494 48 L N 2.556 123.789 121.223 0.016 0.000 2.307 48 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 48 L C 0.701 177.581 176.870 0.017 0.000 1.023 48 L CA -0.622 54.228 54.840 0.016 0.000 0.810 48 L CB 1.436 43.502 42.059 0.010 0.000 1.231 48 L HN 0.964 nan 8.230 nan 0.000 0.423 49 E N 2.701 122.912 120.200 0.017 0.000 2.374 49 E HA 0.337 4.687 4.350 -0.000 0.000 0.260 49 E C -0.983 175.627 176.600 0.016 0.000 1.101 49 E CA -0.789 55.620 56.400 0.015 0.000 0.907 49 E CB 1.544 31.249 29.700 0.008 0.000 1.014 49 E HN 0.273 nan 8.360 nan 0.000 0.427 50 L N 2.190 123.425 121.223 0.020 0.000 2.282 50 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 50 L C -0.745 176.133 176.870 0.014 0.000 1.033 50 L CA -0.347 54.507 54.840 0.024 0.000 0.807 50 L CB 0.953 43.037 42.059 0.042 0.000 1.209 50 L HN 0.517 nan 8.230 nan 0.000 0.423 51 R N 3.071 123.580 120.500 0.014 0.000 2.778 51 R HA 0.327 4.667 4.340 -0.000 0.000 0.277 51 R C -0.120 176.193 176.300 0.022 0.000 0.977 51 R CA -0.746 55.361 56.100 0.012 0.000 0.950 51 R CB 1.567 31.873 30.300 0.010 0.000 1.165 51 R HN 0.602 nan 8.270 nan 0.000 0.474 52 D N 0.524 120.941 120.400 0.028 0.000 2.149 52 D HA 0.004 4.644 4.640 -0.000 0.000 0.201 52 D C 1.080 177.402 176.300 0.037 0.000 0.972 52 D CA 1.493 55.515 54.000 0.037 0.000 0.835 52 D CB 0.076 40.906 40.800 0.051 0.000 0.966 52 D HN 0.920 nan 8.370 nan 0.000 0.476 53 G N 1.415 110.239 108.800 0.040 0.000 2.179 53 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 53 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 53 G C -0.136 174.787 174.900 0.039 0.000 1.010 53 G CA 0.363 45.485 45.100 0.037 0.000 0.736 53 G HN 0.355 nan 8.290 nan 0.000 0.513 54 D N 0.270 120.699 120.400 0.049 0.000 2.365 54 D HA 0.326 4.966 4.640 -0.000 0.000 0.237 54 D C 1.558 177.886 176.300 0.046 0.000 1.190 54 D CA -0.486 53.540 54.000 0.044 0.000 0.867 54 D CB 0.427 41.257 40.800 0.050 0.000 1.050 54 D HN 0.291 nan 8.370 nan 0.000 0.491 55 K N 1.380 121.799 120.400 0.032 0.000 2.360 55 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 55 K C 1.602 178.212 176.600 0.016 0.000 1.046 55 K CA 0.926 57.229 56.287 0.027 0.000 0.945 55 K CB 0.078 32.590 32.500 0.019 0.000 0.750 55 K HN 0.409 nan 8.250 nan 0.000 0.464 56 S N 0.399 116.105 115.700 0.010 0.000 2.562 56 S HA 0.038 4.508 4.470 -0.000 0.000 0.221 56 S C 0.558 175.137 174.600 -0.034 0.000 0.975 56 S CA -0.224 57.969 58.200 -0.011 0.000 0.918 56 S CB 0.122 63.316 63.200 -0.011 0.000 0.772 56 S HN 0.118 nan 8.310 nan 0.000 0.531 57 R N -0.059 120.439 120.500 -0.003 0.000 2.502 57 R HA 0.455 4.795 4.340 -0.000 0.000 0.300 57 R C -1.101 175.263 176.300 0.106 0.000 0.984 57 R CA -0.829 55.255 56.100 -0.026 0.000 0.882 57 R CB 0.608 30.954 30.300 0.077 0.000 1.180 57 R HN 0.210 nan 8.270 nan 0.000 0.444 58 F N 2.821 122.774 119.950 0.005 0.000 3.100 58 F HA -0.258 4.269 4.527 -0.000 0.000 0.283 58 F C 0.214 176.017 175.800 0.005 0.000 0.900 58 F CA 0.403 58.405 58.000 0.005 0.000 1.010 58 F CB -1.364 37.639 39.000 0.005 0.000 1.029 58 F HN 0.646 nan 8.300 nan 0.000 0.637 59 L N -0.735 120.559 121.223 0.119 0.000 3.737 59 L HA -0.182 4.158 4.340 -0.000 0.000 0.418 59 L C 1.393 178.315 176.870 0.085 0.000 1.216 59 L CA 1.474 56.363 54.840 0.082 0.000 0.915 59 L CB -1.732 40.370 42.059 0.073 0.000 1.834 59 L HN 1.074 nan 8.230 nan 0.000 0.943 60 G N -1.769 107.091 108.800 0.100 0.000 2.157 60 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.248 60 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.248 60 G C 0.829 175.778 174.900 0.082 0.000 0.979 60 G CA 0.402 45.551 45.100 0.081 0.000 0.650 60 G HN 0.476 nan 8.290 nan 0.000 0.529 61 K N 0.685 121.152 120.400 0.112 0.000 2.440 61 K HA 0.368 4.688 4.320 -0.000 0.000 0.206 61 K C 1.514 178.108 176.600 -0.010 0.000 1.025 61 K CA 0.071 56.386 56.287 0.047 0.000 1.135 61 K CB 0.808 33.324 32.500 0.027 0.000 0.856 61 K HN 0.403 nan 8.250 nan 0.000 0.502 62 G N 1.053 109.896 108.800 0.072 0.000 2.559 62 G HA2 0.096 4.056 3.960 -0.000 0.000 0.235 62 G HA3 0.096 4.056 3.960 -0.000 0.000 0.235 62 G C 0.594 175.480 174.900 -0.023 0.000 1.266 62 G CA -0.277 44.843 45.100 0.034 0.000 0.847 62 G HN 0.142 nan 8.290 nan 0.000 0.583 63 V N -0.746 119.135 119.914 -0.055 0.000 2.915 63 V HA 0.249 4.369 4.120 -0.000 0.000 0.364 63 V C 1.484 177.572 176.094 -0.010 0.000 1.354 63 V CA 0.352 62.631 62.300 -0.036 0.000 1.213 63 V CB -0.281 31.505 31.823 -0.062 0.000 1.268 63 V HN 0.576 nan 8.190 nan 0.000 0.557 64 T N 0.866 115.429 114.554 0.015 0.000 2.699 64 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 64 T C 1.760 176.471 174.700 0.017 0.000 1.036 64 T CA 2.496 64.610 62.100 0.024 0.000 1.147 64 T CB -0.150 68.743 68.868 0.043 0.000 0.862 64 T HN 0.634 nan 8.240 nan 0.000 0.446 65 K N 0.920 121.334 120.400 0.023 0.000 2.031 65 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 65 K C 2.754 179.372 176.600 0.031 0.000 1.049 65 K CA 1.042 57.348 56.287 0.031 0.000 0.939 65 K CB -0.278 32.246 32.500 0.040 0.000 0.717 65 K HN 0.268 nan 8.250 nan 0.000 0.438 66 A N 1.221 124.056 122.820 0.025 0.000 1.908 66 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 66 A C 2.389 179.965 177.584 -0.013 0.000 1.181 66 A CA 1.513 53.563 52.037 0.020 0.000 0.627 66 A CB -0.763 18.244 19.000 0.011 0.000 0.818 66 A HN 0.071 nan 8.150 nan 0.000 0.445 67 V N -0.194 119.710 119.914 -0.017 0.000 2.343 67 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 67 V C 3.039 179.110 176.094 -0.038 0.000 1.051 67 V CA 1.908 64.192 62.300 -0.028 0.000 1.036 67 V CB -1.184 30.628 31.823 -0.019 0.000 0.654 67 V HN 0.627 nan 8.190 nan 0.000 0.451 68 A N -0.061 122.744 122.820 -0.026 0.000 1.933 68 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 68 A C 2.428 179.967 177.584 -0.074 0.000 1.175 68 A CA 1.982 53.999 52.037 -0.033 0.000 0.628 68 A CB -0.700 18.295 19.000 -0.008 0.000 0.814 68 A HN 0.569 nan 8.150 nan 0.000 0.444 69 A N -0.469 122.298 122.820 -0.090 0.000 1.902 69 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 69 A C 2.230 179.618 177.584 -0.326 0.000 1.181 69 A CA 1.816 53.704 52.037 -0.249 0.000 0.623 69 A CB -0.956 17.925 19.000 -0.198 0.000 0.818 69 A HN 0.390 nan 8.150 nan 0.000 0.443 70 V N 1.020 120.817 119.914 -0.195 0.000 2.287 70 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 70 V C 2.180 178.195 176.094 -0.132 0.000 1.053 70 V CA 2.191 64.395 62.300 -0.159 0.000 1.027 70 V CB -0.867 30.901 31.823 -0.091 0.000 0.646 70 V HN 0.568 nan 8.190 nan 0.000 0.447 71 N N 0.032 118.672 118.700 -0.099 0.000 2.409 71 N HA -0.024 4.716 4.740 -0.000 0.000 0.179 71 N C 1.364 176.827 175.510 -0.077 0.000 1.032 71 N CA 1.275 54.282 53.050 -0.071 0.000 0.898 71 N CB 0.159 38.617 38.487 -0.048 0.000 0.971 71 N HN 0.564 nan 8.380 nan 0.000 0.441 72 G N 1.529 110.266 108.800 -0.105 0.000 2.529 72 G HA2 0.058 4.018 3.960 -0.000 0.000 0.220 72 G HA3 0.058 4.018 3.960 -0.000 0.000 0.220 72 G C -1.279 173.549 174.900 -0.121 0.000 1.976 72 G CA 0.065 45.110 45.100 -0.091 0.000 0.789 72 G HN 0.107 nan 8.290 nan 0.000 0.695 73 P HA 0.001 nan 4.420 nan 0.000 0.217 73 P C 1.913 179.073 177.300 -0.232 0.000 1.150 73 P CA 0.997 63.996 63.100 -0.168 0.000 0.832 73 P CB 0.102 31.706 31.700 -0.160 0.000 0.787 74 I N 0.162 120.492 120.570 -0.400 0.000 2.202 74 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 74 I C 2.677 178.711 176.117 -0.138 0.000 1.091 74 I CA 1.441 62.567 61.300 -0.290 0.000 1.368 74 I CB -0.955 36.839 38.000 -0.342 0.000 1.058 74 I HN -0.097 nan 8.210 nan 0.000 0.410 75 A N 1.216 123.962 122.820 -0.123 0.000 1.892 75 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 75 A C 2.300 179.855 177.584 -0.048 0.000 1.188 75 A CA 2.285 54.280 52.037 -0.069 0.000 0.631 75 A CB -0.976 17.988 19.000 -0.060 0.000 0.822 75 A HN 0.668 nan 8.150 nan 0.000 0.447 76 Q N -0.915 118.855 119.800 -0.051 0.000 2.167 76 Q HA 0.116 4.456 4.340 -0.000 0.000 0.202 76 Q C 1.957 177.946 176.000 -0.017 0.000 0.970 76 Q CA 1.449 57.234 55.803 -0.029 0.000 0.855 76 Q CB -0.473 28.250 28.738 -0.024 0.000 0.911 76 Q HN 0.489 nan 8.270 nan 0.000 0.438 77 A N 1.339 124.147 122.820 -0.020 0.000 1.930 77 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 77 A C 2.064 179.648 177.584 -0.000 0.000 1.175 77 A CA 1.017 53.054 52.037 -0.001 0.000 0.627 77 A CB -0.386 18.622 19.000 0.013 0.000 0.815 77 A HN 0.401 nan 8.150 nan 0.000 0.443 78 L N -0.647 120.570 121.223 -0.010 0.000 2.416 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.216 78 L C 0.365 177.235 176.870 0.001 0.000 1.098 78 L CA -0.232 54.607 54.840 -0.003 0.000 0.840 78 L CB -0.234 41.820 42.059 -0.008 0.000 0.981 78 L HN 0.225 nan 8.230 nan 0.000 0.462 79 I N 0.732 121.301 120.570 -0.002 0.000 2.710 79 I HA -0.027 4.143 4.170 -0.000 0.000 0.286 79 I C 1.445 177.566 176.117 0.006 0.000 1.181 79 I CA 1.170 62.471 61.300 0.003 0.000 1.430 79 I CB 0.529 38.528 38.000 -0.002 0.000 1.367 79 I HN 0.359 nan 8.210 nan 0.000 0.577 80 G N 4.353 113.160 108.800 0.011 0.000 2.217 80 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 80 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 80 G C 0.378 175.285 174.900 0.012 0.000 0.990 80 G CA -0.402 44.704 45.100 0.011 0.000 0.627 80 G HN 0.466 nan 8.290 nan 0.000 0.522 81 K N 0.985 121.392 120.400 0.011 0.000 2.107 81 K HA 0.417 4.737 4.320 -0.000 0.000 0.251 81 K C -0.379 176.228 176.600 0.012 0.000 1.012 81 K CA -0.648 55.645 56.287 0.011 0.000 0.920 81 K CB 0.680 33.186 32.500 0.010 0.000 1.033 81 K HN 0.208 nan 8.250 nan 0.000 0.478 82 D N 0.716 121.122 120.400 0.010 0.000 2.339 82 D HA 0.179 4.819 4.640 -0.000 0.000 0.241 82 D C 0.668 176.972 176.300 0.007 0.000 1.183 82 D CA -0.152 53.852 54.000 0.007 0.000 0.859 82 D CB 0.985 41.788 40.800 0.005 0.000 1.067 82 D HN 0.461 nan 8.370 nan 0.000 0.484 83 A N 4.819 127.640 122.820 0.001 0.000 2.070 83 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 83 A C 1.921 179.511 177.584 0.010 0.000 1.159 83 A CA 1.166 53.203 52.037 -0.001 0.000 0.656 83 A CB -0.241 18.748 19.000 -0.018 0.000 0.800 83 A HN 0.636 nan 8.150 nan 0.000 0.453 84 K N -0.343 120.059 120.400 0.002 0.000 2.211 84 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 84 K C 0.248 176.891 176.600 0.070 0.000 1.050 84 K CA 0.908 57.221 56.287 0.044 0.000 0.945 84 K CB -0.045 32.462 32.500 0.012 0.000 0.732 84 K HN 0.355 nan 8.250 nan 0.000 0.451 85 D N 1.200 121.622 120.400 0.037 0.000 2.619 85 D HA -0.033 4.607 4.640 -0.000 0.000 0.224 85 D C 0.988 177.305 176.300 0.028 0.000 1.133 85 D CA 0.066 54.082 54.000 0.027 0.000 1.017 85 D CB 0.597 41.406 40.800 0.015 0.000 1.077 85 D HN -0.031 nan 8.370 nan 0.000 0.503 86 Q N 2.388 122.210 119.800 0.038 0.000 2.096 86 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 86 Q C 1.774 177.782 176.000 0.014 0.000 0.982 86 Q CA 2.146 57.968 55.803 0.032 0.000 0.850 86 Q CB -0.211 28.542 28.738 0.026 0.000 0.901 86 Q HN 0.442 nan 8.270 nan 0.000 0.422 87 A N -0.362 122.461 122.820 0.005 0.000 1.933 87 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 87 A C 2.285 179.872 177.584 0.006 0.000 1.175 87 A CA 1.591 53.629 52.037 0.002 0.000 0.628 87 A CB -1.343 17.654 19.000 -0.004 0.000 0.814 87 A HN 0.565 nan 8.150 nan 0.000 0.444 88 G N 0.101 108.906 108.800 0.008 0.000 2.418 88 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 88 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 88 G C 1.406 176.314 174.900 0.014 0.000 1.158 88 G CA 1.105 46.212 45.100 0.010 0.000 0.771 88 G HN 0.353 nan 8.290 nan 0.000 0.545 89 I N 1.738 122.316 120.570 0.015 0.000 2.179 89 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 89 I C 2.269 178.396 176.117 0.017 0.000 1.088 89 I CA 1.242 62.551 61.300 0.015 0.000 1.357 89 I CB -0.952 37.057 38.000 0.015 0.000 1.051 89 I HN 0.110 nan 8.210 nan 0.000 0.409 90 D N 0.746 121.154 120.400 0.015 0.000 2.117 90 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 90 D C 2.166 178.479 176.300 0.022 0.000 0.987 90 D CA 1.164 55.173 54.000 0.016 0.000 0.829 90 D CB -0.158 40.648 40.800 0.009 0.000 0.961 90 D HN 0.330 nan 8.370 nan 0.000 0.460 91 K N 0.616 121.026 120.400 0.018 0.000 2.063 91 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 91 K C 2.286 178.903 176.600 0.028 0.000 1.048 91 K CA 0.789 57.087 56.287 0.018 0.000 0.928 91 K CB -0.173 32.334 32.500 0.012 0.000 0.713 91 K HN 0.068 nan 8.250 nan 0.000 0.442 92 I N 0.817 121.405 120.570 0.031 0.000 2.163 92 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 92 I C 2.513 178.673 176.117 0.071 0.000 1.085 92 I CA 1.508 62.833 61.300 0.042 0.000 1.347 92 I CB -0.162 37.858 38.000 0.034 0.000 1.044 92 I HN 0.304 nan 8.210 nan 0.000 0.408 93 M N -0.161 119.485 119.600 0.076 0.000 2.132 93 M HA -0.188 4.292 4.480 -0.000 0.000 0.263 93 M C 2.397 178.781 176.300 0.139 0.000 1.065 93 M CA 1.900 57.280 55.300 0.134 0.000 1.122 93 M CB -0.361 32.298 32.600 0.099 0.000 1.365 93 M HN 0.188 nan 8.290 nan 0.000 0.411 94 I N 0.352 120.964 120.570 0.070 0.000 2.179 94 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 94 I C 1.862 177.986 176.117 0.012 0.000 1.088 94 I CA 1.253 62.573 61.300 0.034 0.000 1.357 94 I CB -0.527 37.483 38.000 0.017 0.000 1.051 94 I HN 0.254 nan 8.210 nan 0.000 0.409 95 D N 0.476 120.890 120.400 0.023 0.000 2.144 95 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 95 D C 2.002 178.305 176.300 0.006 0.000 0.978 95 D CA 1.052 55.057 54.000 0.008 0.000 0.833 95 D CB -0.202 40.607 40.800 0.016 0.000 0.961 95 D HN 0.169 nan 8.370 nan 0.000 0.470 96 L N 1.027 122.285 121.223 0.058 0.000 2.056 96 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 96 L C 1.769 178.590 176.870 -0.083 0.000 1.078 96 L CA 1.669 56.570 54.840 0.102 0.000 0.749 96 L CB -0.452 41.775 42.059 0.280 0.000 0.901 96 L HN -0.037 nan 8.230 nan 0.000 0.433 97 D N -0.664 119.596 120.400 -0.233 0.000 2.104 97 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 97 D C 1.684 177.750 176.300 -0.389 0.000 0.994 97 D CA 1.637 55.207 54.000 -0.716 0.000 0.830 97 D CB 0.040 40.582 40.800 -0.430 0.000 0.959 97 D HN 0.523 nan 8.370 nan 0.000 0.452 98 G N 0.174 108.859 108.800 -0.192 0.000 2.179 98 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 98 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 98 G C 0.605 175.442 174.900 -0.105 0.000 0.977 98 G CA 1.247 46.273 45.100 -0.123 0.000 0.641 98 G HN 0.768 nan 8.290 nan 0.000 0.533 99 T N -3.922 110.559 114.554 -0.121 0.000 2.945 99 T HA 0.768 5.118 4.350 -0.000 0.000 0.286 99 T C 1.072 175.736 174.700 -0.059 0.000 1.025 99 T CA 0.913 62.962 62.100 -0.086 0.000 1.039 99 T CB 1.836 70.648 68.868 -0.094 0.000 1.068 99 T HN 1.105 nan 8.240 nan 0.000 0.497 100 E N 1.305 121.481 120.200 -0.041 0.000 2.204 100 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 100 E C 1.399 177.987 176.600 -0.020 0.000 0.989 100 E CA 1.339 57.723 56.400 -0.026 0.000 0.824 100 E CB -0.744 28.944 29.700 -0.019 0.000 0.756 100 E HN 0.878 nan 8.360 nan 0.000 0.477 101 N N -0.892 117.794 118.700 -0.023 0.000 2.235 101 N HA 0.092 4.832 4.740 -0.000 0.000 0.231 101 N C -0.162 175.339 175.510 -0.015 0.000 1.177 101 N CA 0.333 53.376 53.050 -0.012 0.000 0.874 101 N CB 0.511 38.995 38.487 -0.006 0.000 1.097 101 N HN 0.352 nan 8.380 nan 0.000 0.518 102 K N -0.336 120.045 120.400 -0.031 0.000 3.069 102 K HA -0.182 4.138 4.320 -0.000 0.000 0.267 102 K C 0.323 176.904 176.600 -0.031 0.000 1.082 102 K CA 0.936 57.205 56.287 -0.030 0.000 0.782 102 K CB -2.064 30.440 32.500 0.006 0.000 1.230 102 K HN 0.549 nan 8.250 nan 0.000 0.488 103 S N -0.664 115.006 115.700 -0.050 0.000 2.558 103 S HA -0.012 4.458 4.470 -0.000 0.000 0.217 103 S C 1.567 176.135 174.600 -0.053 0.000 0.975 103 S CA 0.456 58.635 58.200 -0.035 0.000 0.912 103 S CB 0.419 63.602 63.200 -0.029 0.000 0.776 103 S HN 0.424 nan 8.310 nan 0.000 0.526 104 K N 0.495 120.816 120.400 -0.133 0.000 2.029 104 K HA 0.096 4.416 4.320 -0.000 0.000 0.205 104 K C 1.049 177.622 176.600 -0.046 0.000 1.042 104 K CA 1.143 57.322 56.287 -0.180 0.000 0.949 104 K CB -0.189 32.076 32.500 -0.392 0.000 0.740 104 K HN 0.370 nan 8.250 nan 0.000 0.442 105 F N 0.427 120.373 119.950 -0.007 0.000 2.569 105 F HA 0.286 4.813 4.527 -0.000 0.000 0.295 105 F C 0.957 176.750 175.800 -0.012 0.000 1.115 105 F CA 0.557 58.552 58.000 -0.009 0.000 1.450 105 F CB -0.180 38.813 39.000 -0.011 0.000 1.107 105 F HN 0.289 nan 8.300 nan 0.000 0.563 106 G N -0.064 108.823 108.800 0.145 0.000 3.055 106 G HA2 0.153 4.113 3.960 -0.000 0.000 0.686 106 G HA3 0.153 4.113 3.960 -0.000 0.000 0.686 106 G C 0.693 175.635 174.900 0.070 0.000 1.087 106 G CA -0.531 44.617 45.100 0.079 0.000 0.779 106 G HN 0.468 nan 8.290 nan 0.000 0.599 107 A N 2.049 124.891 122.820 0.036 0.000 2.019 107 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 107 A C 2.341 179.925 177.584 -0.001 0.000 1.164 107 A CA 2.297 54.346 52.037 0.020 0.000 0.644 107 A CB -0.442 18.568 19.000 0.015 0.000 0.805 107 A HN 1.593 nan 8.150 nan 0.000 0.449 108 N N 1.279 119.980 118.700 0.001 0.000 2.106 108 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 108 N C 1.687 177.182 175.510 -0.025 0.000 1.029 108 N CA 1.955 54.993 53.050 -0.020 0.000 0.848 108 N CB -1.050 37.427 38.487 -0.018 0.000 1.007 108 N HN 0.353 nan 8.380 nan 0.000 0.423 109 A N 1.462 124.283 122.820 0.001 0.000 1.858 109 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 109 A C 2.480 180.055 177.584 -0.015 0.000 1.190 109 A CA 1.332 53.364 52.037 -0.008 0.000 0.617 109 A CB -0.868 18.142 19.000 0.015 0.000 0.827 109 A HN 0.294 nan 8.150 nan 0.000 0.443 110 I N -0.943 119.640 120.570 0.022 0.000 2.179 110 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 110 I C 2.477 178.571 176.117 -0.039 0.000 1.088 110 I CA 1.384 62.695 61.300 0.019 0.000 1.357 110 I CB -0.297 37.743 38.000 0.067 0.000 1.051 110 I HN 0.402 nan 8.210 nan 0.000 0.409 111 L N 1.158 122.337 121.223 -0.073 0.000 2.046 111 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 111 L C 2.562 179.328 176.870 -0.173 0.000 1.077 111 L CA 2.052 56.797 54.840 -0.160 0.000 0.747 111 L CB -0.676 41.243 42.059 -0.232 0.000 0.896 111 L HN 0.178 nan 8.230 nan 0.000 0.432 112 A N -1.097 121.648 122.820 -0.126 0.000 1.902 112 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 112 A C 2.236 179.771 177.584 -0.082 0.000 1.181 112 A CA 2.077 54.050 52.037 -0.106 0.000 0.623 112 A CB -1.103 17.852 19.000 -0.074 0.000 0.818 112 A HN 0.313 nan 8.150 nan 0.000 0.443 113 V N -0.573 119.301 119.914 -0.066 0.000 2.358 113 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 113 V C 2.773 178.839 176.094 -0.047 0.000 1.047 113 V CA 2.192 64.462 62.300 -0.050 0.000 1.035 113 V CB -0.816 30.980 31.823 -0.045 0.000 0.658 113 V HN 0.656 nan 8.190 nan 0.000 0.452 114 S N -0.175 115.490 115.700 -0.057 0.000 2.359 114 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 114 S C 1.905 176.477 174.600 -0.047 0.000 1.035 114 S CA 1.883 60.054 58.200 -0.048 0.000 1.018 114 S CB -0.300 62.861 63.200 -0.065 0.000 0.876 114 S HN 0.521 nan 8.310 nan 0.000 0.448 115 L N 0.788 121.960 121.223 -0.085 0.000 2.072 115 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 115 L C 2.963 179.818 176.870 -0.026 0.000 1.079 115 L CA 1.046 55.850 54.840 -0.060 0.000 0.752 115 L CB -0.748 41.243 42.059 -0.114 0.000 0.906 115 L HN 0.381 nan 8.230 nan 0.000 0.436 116 A N 0.660 123.456 122.820 -0.040 0.000 1.902 116 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 116 A C 2.041 179.606 177.584 -0.031 0.000 1.181 116 A CA 2.244 54.259 52.037 -0.037 0.000 0.623 116 A CB -0.845 18.130 19.000 -0.042 0.000 0.818 116 A HN 0.508 nan 8.150 nan 0.000 0.443 117 N N 0.149 118.836 118.700 -0.021 0.000 2.069 117 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 117 N C 1.762 177.273 175.510 0.002 0.000 1.031 117 N CA 2.094 55.138 53.050 -0.010 0.000 0.852 117 N CB -0.349 38.139 38.487 0.000 0.000 1.018 117 N HN 0.355 nan 8.380 nan 0.000 0.423 118 A N 0.463 123.306 122.820 0.038 0.000 1.902 118 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 118 A C 2.079 179.690 177.584 0.044 0.000 1.181 118 A CA 1.546 53.653 52.037 0.117 0.000 0.623 118 A CB -0.511 18.576 19.000 0.145 0.000 0.818 118 A HN 0.396 nan 8.150 nan 0.000 0.443 119 K N -0.297 120.109 120.400 0.009 0.000 2.057 119 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 119 K C 2.321 178.870 176.600 -0.084 0.000 1.049 119 K CA 1.109 57.379 56.287 -0.029 0.000 0.931 119 K CB -0.339 32.151 32.500 -0.017 0.000 0.714 119 K HN 0.443 nan 8.250 nan 0.000 0.440 120 A N 1.681 124.454 122.820 -0.078 0.000 1.877 120 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 120 A C 2.417 179.910 177.584 -0.151 0.000 1.186 120 A CA 1.863 53.854 52.037 -0.077 0.000 0.620 120 A CB -0.771 18.199 19.000 -0.051 0.000 0.822 120 A HN 0.330 nan 8.150 nan 0.000 0.443 121 A N -0.068 122.624 122.820 -0.213 0.000 1.908 121 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 121 A C 2.527 179.758 177.584 -0.588 0.000 1.181 121 A CA 2.323 54.138 52.037 -0.371 0.000 0.627 121 A CB -1.106 17.688 19.000 -0.345 0.000 0.818 121 A HN 1.114 nan 8.150 nan 0.000 0.445 122 A N -0.129 122.305 122.820 -0.644 0.000 1.883 122 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 122 A C 2.540 179.933 177.584 -0.319 0.000 1.186 122 A CA 2.386 54.124 52.037 -0.498 0.000 0.624 122 A CB -1.128 17.725 19.000 -0.246 0.000 0.822 122 A HN 1.142 nan 8.150 nan 0.000 0.444 123 A N -0.215 122.462 122.820 -0.238 0.000 1.902 123 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 123 A C 2.512 179.838 177.584 -0.429 0.000 1.181 123 A CA 2.201 54.148 52.037 -0.151 0.000 0.623 123 A CB -1.063 17.959 19.000 0.036 0.000 0.818 123 A HN 1.151 nan 8.150 nan 0.000 0.443 124 A N -0.310 122.055 122.820 -0.758 0.000 1.978 124 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 124 A C 1.996 179.103 177.584 -0.795 0.000 1.170 124 A CA 1.813 52.992 52.037 -1.430 0.000 0.636 124 A CB -0.366 18.102 19.000 -0.886 0.000 0.810 124 A HN 0.547 nan 8.150 nan 0.000 0.448 125 K N -1.290 118.827 120.400 -0.472 0.000 2.444 125 K HA 0.239 4.559 4.320 -0.000 0.000 0.193 125 K C 0.870 177.352 176.600 -0.198 0.000 1.024 125 K CA 0.411 56.530 56.287 -0.280 0.000 1.077 125 K CB -0.051 32.319 32.500 -0.217 0.000 0.833 125 K HN 0.624 nan 8.250 nan 0.000 0.517 126 G N 2.788 111.462 108.800 -0.210 0.000 2.246 126 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 126 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 126 G C -0.096 174.751 174.900 -0.089 0.000 1.055 126 G CA 0.905 45.942 45.100 -0.106 0.000 0.851 126 G HN 0.394 nan 8.290 nan 0.000 0.500 127 M N -2.314 117.213 119.600 -0.122 0.000 2.575 127 M HA 0.810 5.290 4.480 -0.000 0.000 0.284 127 M C -2.961 173.229 176.300 -0.183 0.000 1.253 127 M CA -2.599 52.623 55.300 -0.131 0.000 0.861 127 M CB 1.985 34.523 32.600 -0.104 0.000 1.733 127 M HN -0.099 nan 8.290 nan 0.000 0.462 128 P HA 0.131 nan 4.420 nan 0.000 0.274 128 P C 0.459 177.533 177.300 -0.377 0.000 1.237 128 P CA -0.560 62.311 63.100 -0.381 0.000 0.793 128 P CB 0.679 31.971 31.700 -0.680 0.000 0.977 129 L N 2.437 123.544 121.223 -0.194 0.000 2.043 129 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 129 L C 2.476 179.343 176.870 -0.005 0.000 1.075 129 L CA 1.932 56.753 54.840 -0.032 0.000 0.752 129 L CB -1.801 40.288 42.059 0.051 0.000 0.891 129 L HN 0.480 nan 8.230 nan 0.000 0.432 130 Y N -1.214 119.121 120.300 0.058 0.000 2.207 130 Y HA -0.202 4.347 4.550 -0.000 0.000 0.287 130 Y C 2.420 178.416 175.900 0.161 0.000 1.156 130 Y CA 1.475 59.614 58.100 0.063 0.000 1.182 130 Y CB -1.153 37.281 38.460 -0.043 0.000 0.979 130 Y HN 0.410 nan 8.280 nan 0.000 0.521 131 E N -0.128 119.960 120.200 -0.185 0.000 2.072 131 E HA -0.278 4.072 4.350 -0.000 0.000 0.191 131 E C 2.085 178.756 176.600 0.118 0.000 0.985 131 E CA 1.162 57.627 56.400 0.109 0.000 0.801 131 E CB -0.315 29.343 29.700 -0.070 0.000 0.750 131 E HN 0.683 nan 8.360 nan 0.000 0.452 132 H N 0.613 119.653 119.070 -0.051 0.000 2.353 132 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 132 H C 1.936 177.273 175.328 0.016 0.000 1.090 132 H CA 1.956 57.986 56.048 -0.029 0.000 1.327 132 H CB -0.200 29.526 29.762 -0.061 0.000 1.383 132 H HN 0.186 nan 8.280 nan 0.000 0.508 133 I N 0.067 120.611 120.570 -0.043 0.000 2.208 133 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 133 I C 2.673 178.767 176.117 -0.038 0.000 1.097 133 I CA 1.119 62.381 61.300 -0.063 0.000 1.363 133 I CB -0.544 37.493 38.000 0.063 0.000 1.051 133 I HN 0.437 nan 8.210 nan 0.000 0.413 134 A N 0.360 123.214 122.820 0.057 0.000 1.933 134 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 134 A C 2.204 179.757 177.584 -0.051 0.000 1.175 134 A CA 1.653 53.697 52.037 0.012 0.000 0.628 134 A CB -0.546 18.459 19.000 0.009 0.000 0.814 134 A HN 0.454 nan 8.150 nan 0.000 0.444 135 E N -0.109 120.057 120.200 -0.056 0.000 2.051 135 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 135 E C 1.952 178.482 176.600 -0.117 0.000 0.991 135 E CA 1.170 57.526 56.400 -0.073 0.000 0.799 135 E CB -0.355 29.328 29.700 -0.029 0.000 0.748 135 E HN 0.630 nan 8.360 nan 0.000 0.449 136 L N 1.292 122.384 121.223 -0.218 0.000 2.129 136 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 136 L C 2.335 179.143 176.870 -0.104 0.000 1.087 136 L CA 0.910 55.635 54.840 -0.192 0.000 0.757 136 L CB -0.498 41.395 42.059 -0.276 0.000 0.896 136 L HN 0.233 nan 8.230 nan 0.000 0.434 137 N N -0.086 118.563 118.700 -0.085 0.000 2.467 137 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 137 N C 1.258 176.737 175.510 -0.053 0.000 1.106 137 N CA 0.688 53.704 53.050 -0.056 0.000 0.892 137 N CB 0.321 38.782 38.487 -0.043 0.000 0.969 137 N HN 0.414 nan 8.380 nan 0.000 0.454 138 G N 0.635 109.400 108.800 -0.058 0.000 2.148 138 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 138 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 138 G C 0.245 175.112 174.900 -0.055 0.000 0.981 138 G CA 0.797 45.867 45.100 -0.050 0.000 0.670 138 G HN 0.498 nan 8.290 nan 0.000 0.528 139 T N -1.082 113.432 114.554 -0.067 0.000 3.630 139 T HA 0.590 4.940 4.350 -0.000 0.000 0.238 139 T C -2.205 172.420 174.700 -0.125 0.000 1.195 139 T CA -1.206 60.843 62.100 -0.086 0.000 1.433 139 T CB 2.219 71.037 68.868 -0.083 0.000 0.940 139 T HN 0.223 nan 8.240 nan 0.000 0.641 140 P HA 0.256 nan 4.420 nan 0.000 0.265 140 P C 1.222 178.397 177.300 -0.208 0.000 1.193 140 P CA 0.990 64.019 63.100 -0.117 0.000 0.765 140 P CB 0.425 32.089 31.700 -0.059 0.000 0.823 141 G N 1.619 110.200 108.800 -0.364 0.000 2.184 141 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 141 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 141 G C 0.219 174.629 174.900 -0.817 0.000 0.975 141 G CA 0.417 45.184 45.100 -0.556 0.000 0.642 141 G HN 0.723 nan 8.290 nan 0.000 0.536 142 K N 0.697 120.676 120.400 -0.702 0.000 2.267 142 K HA 0.655 4.975 4.320 -0.000 0.000 0.282 142 K C -0.715 175.624 176.600 -0.435 0.000 1.078 142 K CA -0.768 55.258 56.287 -0.435 0.000 0.903 142 K CB -0.048 32.324 32.500 -0.212 0.000 1.111 142 K HN 0.242 nan 8.250 nan 0.000 0.475 143 Y N 0.621 120.928 120.300 0.013 0.000 2.581 143 Y HA 0.561 5.111 4.550 -0.000 0.000 0.345 143 Y C -0.098 175.794 175.900 -0.014 0.000 1.036 143 Y CA -0.988 57.114 58.100 0.003 0.000 1.042 143 Y CB 2.283 40.744 38.460 0.001 0.000 1.289 143 Y HN 0.610 nan 8.280 nan 0.000 0.471 144 S N 1.340 117.136 115.700 0.160 0.000 2.556 144 S HA 0.709 5.179 4.470 -0.000 0.000 0.271 144 S C -1.455 173.168 174.600 0.037 0.000 1.135 144 S CA -1.071 57.171 58.200 0.070 0.000 0.858 144 S CB 1.502 64.713 63.200 0.018 0.000 1.114 144 S HN 0.405 nan 8.310 nan 0.000 0.468 145 M N 3.105 122.731 119.600 0.043 0.000 2.120 145 M HA 0.430 4.910 4.480 -0.000 0.000 0.354 145 M C -2.473 173.865 176.300 0.063 0.000 1.287 145 M CA -2.744 52.598 55.300 0.070 0.000 1.103 145 M CB 0.278 32.968 32.600 0.149 0.000 1.623 145 M HN 0.525 nan 8.290 nan 0.000 0.471 146 P HA 0.152 nan 4.420 nan 0.000 0.275 146 P C -0.471 176.843 177.300 0.024 0.000 1.228 146 P CA -0.366 62.727 63.100 -0.012 0.000 0.786 146 P CB 0.714 32.408 31.700 -0.010 0.000 0.927 147 V N 5.582 125.428 119.914 -0.112 0.000 2.415 147 V HA 0.137 4.257 4.120 -0.000 0.000 0.267 147 V C -1.596 174.519 176.094 0.036 0.000 1.042 147 V CA -1.257 61.001 62.300 -0.070 0.000 1.000 147 V CB 0.291 31.985 31.823 -0.214 0.000 1.015 147 V HN 0.589 nan 8.190 nan 0.000 0.478 148 P HA 0.294 nan 4.420 nan 0.000 0.285 148 P C -0.711 176.627 177.300 0.063 0.000 1.259 148 P CA -0.544 62.622 63.100 0.109 0.000 0.794 148 P CB 1.066 32.900 31.700 0.224 0.000 0.940 149 M N 2.367 121.985 119.600 0.031 0.000 2.129 149 M HA 0.552 5.032 4.480 -0.000 0.000 0.348 149 M C -0.509 175.812 176.300 0.035 0.000 1.116 149 M CA -0.329 54.986 55.300 0.024 0.000 1.022 149 M CB 0.990 33.593 32.600 0.005 0.000 1.599 149 M HN 0.094 nan 8.290 nan 0.000 0.449 150 M N 3.457 123.087 119.600 0.051 0.000 2.167 150 M HA 0.325 4.805 4.480 -0.000 0.000 0.333 150 M C -0.054 176.291 176.300 0.076 0.000 1.030 150 M CA -0.509 54.831 55.300 0.066 0.000 0.963 150 M CB 1.385 33.998 32.600 0.021 0.000 1.589 150 M HN 0.769 nan 8.290 nan 0.000 0.431 151 N N 2.262 121.017 118.700 0.090 0.000 2.293 151 N HA -0.072 4.668 4.740 -0.000 0.000 0.253 151 N C -0.341 175.240 175.510 0.119 0.000 1.248 151 N CA 0.774 53.893 53.050 0.115 0.000 0.845 151 N CB 0.858 39.424 38.487 0.132 0.000 1.073 151 N HN 0.742 nan 8.380 nan 0.000 0.464 152 I N 3.689 124.355 120.570 0.161 0.000 4.547 152 I HA 0.332 4.502 4.170 -0.000 0.000 0.303 152 I C -0.638 175.622 176.117 0.238 0.000 1.188 152 I CA 0.205 61.623 61.300 0.197 0.000 1.320 152 I CB 0.458 38.576 38.000 0.197 0.000 1.495 152 I HN 0.439 nan 8.210 nan 0.000 0.462 153 I N 1.881 122.604 120.570 0.256 0.000 2.569 153 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 153 I C -0.958 175.317 176.117 0.263 0.000 1.088 153 I CA -0.567 60.900 61.300 0.278 0.000 1.047 153 I CB 1.476 39.652 38.000 0.292 0.000 1.237 153 I HN 0.026 nan 8.210 nan 0.000 0.421 154 N N 3.070 121.901 118.700 0.218 0.000 2.456 154 N HA 0.804 5.544 4.740 -0.000 0.000 0.296 154 N C 0.125 175.745 175.510 0.182 0.000 1.102 154 N CA -0.156 53.007 53.050 0.188 0.000 0.924 154 N CB 2.405 41.003 38.487 0.184 0.000 1.186 154 N HN 0.886 nan 8.380 nan 0.000 0.492 155 G N -1.444 107.443 108.800 0.145 0.000 2.911 155 G HA2 0.589 4.549 3.960 -0.000 0.000 0.299 155 G HA3 0.589 4.549 3.960 -0.000 0.000 0.299 155 G C 0.195 175.158 174.900 0.105 0.000 1.283 155 G CA 0.041 45.223 45.100 0.135 0.000 0.805 155 G HN 0.729 nan 8.290 nan 0.000 0.548 156 G N -0.166 108.697 108.800 0.106 0.000 2.652 156 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.318 156 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.318 156 G C 0.932 175.885 174.900 0.089 0.000 1.295 156 G CA 0.920 46.078 45.100 0.095 0.000 0.999 156 G HN 0.727 nan 8.290 nan 0.000 0.548 157 E N 0.893 121.123 120.200 0.050 0.000 2.472 157 E HA -0.025 4.325 4.350 -0.000 0.000 0.200 157 E C 1.636 178.388 176.600 0.254 0.000 1.046 157 E CA 0.910 57.373 56.400 0.105 0.000 0.871 157 E CB -0.197 29.543 29.700 0.066 0.000 0.806 157 E HN 0.761 nan 8.360 nan 0.000 0.533 158 H N -1.074 118.021 119.070 0.041 0.000 2.505 158 H HA 0.471 5.027 4.556 -0.000 0.000 0.286 158 H C 0.373 175.734 175.328 0.054 0.000 1.072 158 H CA -0.183 55.889 56.048 0.040 0.000 1.141 158 H CB 0.780 30.562 29.762 0.034 0.000 1.550 158 H HN 0.021 nan 8.280 nan 0.000 0.547 159 A N -0.136 122.786 122.820 0.170 0.000 2.515 159 A HA 0.479 4.799 4.320 -0.000 0.000 0.299 159 A C -1.015 176.630 177.584 0.102 0.000 1.179 159 A CA 0.031 52.144 52.037 0.127 0.000 0.656 159 A CB 0.425 19.506 19.000 0.134 0.000 1.306 159 A HN 0.269 nan 8.150 nan 0.000 0.459 160 D N 0.432 120.885 120.400 0.089 0.000 3.010 160 D HA 0.504 5.144 4.640 -0.000 0.000 0.347 160 D C -0.323 176.021 176.300 0.073 0.000 1.340 160 D CA 0.153 54.197 54.000 0.074 0.000 0.858 160 D CB -0.392 40.446 40.800 0.062 0.000 1.111 160 D HN 0.795 nan 8.370 nan 0.000 0.482 161 N N -2.517 116.233 118.700 0.083 0.000 3.167 161 N HA 0.530 5.270 4.740 -0.000 0.000 0.323 161 N C 0.265 175.825 175.510 0.083 0.000 1.478 161 N CA -0.078 53.020 53.050 0.081 0.000 0.753 161 N CB 0.315 38.857 38.487 0.091 0.000 1.721 161 N HN 0.096 nan 8.380 nan 0.000 0.618 162 N N -1.001 117.748 118.700 0.081 0.000 2.376 162 N HA 0.387 5.127 4.740 -0.000 0.000 0.249 162 N C -0.743 174.828 175.510 0.102 0.000 1.140 162 N CA -0.421 52.678 53.050 0.082 0.000 0.870 162 N CB -0.304 38.224 38.487 0.068 0.000 1.124 162 N HN 0.387 nan 8.380 nan 0.000 0.505 163 V N 0.769 120.757 119.914 0.124 0.000 2.407 163 V HA 0.221 4.341 4.120 -0.000 0.000 0.278 163 V C 0.111 176.297 176.094 0.152 0.000 1.037 163 V CA -0.601 61.797 62.300 0.163 0.000 0.900 163 V CB 1.544 33.492 31.823 0.210 0.000 0.983 163 V HN 0.405 nan 8.190 nan 0.000 0.459 164 D N 2.459 122.951 120.400 0.153 0.000 2.183 164 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 164 D C 0.884 177.311 176.300 0.212 0.000 0.962 164 D CA 0.726 54.813 54.000 0.145 0.000 0.849 164 D CB 0.257 41.069 40.800 0.020 0.000 0.978 164 D HN 0.281 nan 8.370 nan 0.000 0.488 165 I N 1.967 122.628 120.570 0.151 0.000 2.752 165 I HA -0.083 4.087 4.170 -0.000 0.000 0.287 165 I C 1.825 177.900 176.117 -0.070 0.000 1.188 165 I CA 0.491 61.799 61.300 0.013 0.000 1.427 165 I CB 0.765 38.581 38.000 -0.306 0.000 1.365 165 I HN 0.027 nan 8.210 nan 0.000 0.585 166 Q N 4.627 124.363 119.800 -0.107 0.000 2.083 166 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 166 Q C -0.180 175.749 176.000 -0.119 0.000 0.969 166 Q CA 1.242 56.958 55.803 -0.145 0.000 0.838 166 Q CB 0.498 29.077 28.738 -0.265 0.000 0.900 166 Q HN 0.802 nan 8.270 nan 0.000 0.436 167 E N -1.666 118.413 120.200 -0.201 0.000 2.375 167 E HA 0.359 4.709 4.350 -0.000 0.000 0.280 167 E C -1.453 174.957 176.600 -0.316 0.000 0.972 167 E CA -0.783 55.540 56.400 -0.129 0.000 0.782 167 E CB 0.679 30.397 29.700 0.030 0.000 1.229 167 E HN -0.047 nan 8.360 nan 0.000 0.439 168 F N 1.314 121.300 119.950 0.060 0.000 2.458 168 F HA 0.591 5.118 4.527 -0.000 0.000 0.330 168 F C 0.225 176.054 175.800 0.048 0.000 1.082 168 F CA -0.623 57.400 58.000 0.037 0.000 0.995 168 F CB 1.915 40.922 39.000 0.013 0.000 1.170 168 F HN 0.327 nan 8.300 nan 0.000 0.478 169 M N 3.922 123.657 119.600 0.224 0.000 2.572 169 M HA 0.586 5.066 4.480 -0.000 0.000 0.299 169 M C -0.944 175.426 176.300 0.117 0.000 1.205 169 M CA -0.832 54.552 55.300 0.140 0.000 0.876 169 M CB 2.948 35.600 32.600 0.086 0.000 1.728 169 M HN 0.491 nan 8.290 nan 0.000 0.458 170 I N -0.742 119.879 120.570 0.086 0.000 2.525 170 I HA 0.565 4.735 4.170 -0.000 0.000 0.301 170 I C -1.178 174.959 176.117 0.034 0.000 0.992 170 I CA -0.669 60.665 61.300 0.057 0.000 1.162 170 I CB 1.582 39.611 38.000 0.049 0.000 1.332 170 I HN 0.662 nan 8.210 nan 0.000 0.458 171 Q N 5.565 125.379 119.800 0.024 0.000 2.347 171 Q HA 0.372 4.712 4.340 -0.000 0.000 0.265 171 Q C -2.448 173.557 176.000 0.010 0.000 1.024 171 Q CA -1.788 54.027 55.803 0.021 0.000 0.731 171 Q CB 2.312 31.062 28.738 0.020 0.000 1.245 171 Q HN 0.494 nan 8.270 nan 0.000 0.472 172 P HA -0.046 nan 4.420 nan 0.000 0.226 172 P C 0.991 178.334 177.300 0.072 0.000 1.783 172 P CA 0.079 63.158 63.100 -0.035 0.000 0.980 172 P CB -0.127 31.508 31.700 -0.108 0.000 1.967 173 V N -0.424 119.529 119.914 0.064 0.000 2.594 173 V HA -0.077 4.043 4.120 -0.000 0.000 0.253 173 V C 2.177 178.346 176.094 0.125 0.000 1.069 173 V CA 2.107 64.462 62.300 0.092 0.000 1.082 173 V CB -1.904 29.935 31.823 0.026 0.000 0.680 173 V HN 0.284 nan 8.190 nan 0.000 0.469 174 G N 0.075 108.913 108.800 0.064 0.000 2.650 174 G HA2 0.281 4.241 3.960 -0.000 0.000 0.214 174 G HA3 0.281 4.241 3.960 -0.000 0.000 0.214 174 G C 0.806 175.736 174.900 0.051 0.000 1.136 174 G CA 0.435 45.567 45.100 0.054 0.000 0.789 174 G HN 1.000 nan 8.290 nan 0.000 0.536 175 A N -0.111 122.726 122.820 0.028 0.000 2.466 175 A HA 0.478 4.798 4.320 -0.000 0.000 0.238 175 A C 1.104 178.664 177.584 -0.041 0.000 1.074 175 A CA 0.203 52.178 52.037 -0.103 0.000 0.774 175 A CB 0.458 19.250 19.000 -0.347 0.000 1.015 175 A HN 0.297 nan 8.150 nan 0.000 0.498 176 K N -0.428 119.910 120.400 -0.103 0.000 2.354 176 K HA 0.124 4.444 4.320 -0.000 0.000 0.194 176 K C 0.209 176.764 176.600 -0.076 0.000 1.038 176 K CA 1.063 57.346 56.287 -0.007 0.000 1.052 176 K CB 0.466 32.968 32.500 0.003 0.000 0.861 176 K HN 0.889 nan 8.250 nan 0.000 0.535 177 T N -3.928 110.433 114.554 -0.322 0.000 2.864 177 T HA 0.192 4.542 4.350 -0.000 0.000 0.299 177 T C 0.669 174.962 174.700 -0.679 0.000 1.166 177 T CA -0.897 61.008 62.100 -0.325 0.000 1.007 177 T CB 1.619 70.390 68.868 -0.161 0.000 1.219 177 T HN -0.236 nan 8.240 nan 0.000 0.506 178 V N 1.076 120.735 119.914 -0.425 0.000 2.626 178 V HA -0.053 4.067 4.120 -0.000 0.000 0.252 178 V C 2.625 178.580 176.094 -0.233 0.000 1.067 178 V CA 2.329 64.431 62.300 -0.329 0.000 1.081 178 V CB -0.728 31.095 31.823 -0.001 0.000 0.686 178 V HN 0.994 nan 8.190 nan 0.000 0.468 179 K N -0.036 120.259 120.400 -0.176 0.000 2.057 179 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 179 K C 2.176 178.689 176.600 -0.146 0.000 1.049 179 K CA 2.166 58.380 56.287 -0.121 0.000 0.931 179 K CB -0.255 32.194 32.500 -0.083 0.000 0.714 179 K HN 0.649 nan 8.250 nan 0.000 0.440 180 E N -0.160 119.925 120.200 -0.191 0.000 2.072 180 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 180 E C 1.783 178.252 176.600 -0.218 0.000 0.985 180 E CA 0.939 57.235 56.400 -0.173 0.000 0.801 180 E CB -0.127 29.471 29.700 -0.170 0.000 0.750 180 E HN 0.433 nan 8.360 nan 0.000 0.452 181 A N 1.068 123.692 122.820 -0.326 0.000 1.908 181 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 181 A C 2.137 179.585 177.584 -0.227 0.000 1.181 181 A CA 1.391 53.258 52.037 -0.283 0.000 0.627 181 A CB -0.602 18.212 19.000 -0.310 0.000 0.818 181 A HN 0.338 nan 8.150 nan 0.000 0.445 182 I N -1.234 119.203 120.570 -0.222 0.000 2.202 182 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 182 I C 2.694 178.698 176.117 -0.188 0.000 1.091 182 I CA 1.637 62.778 61.300 -0.265 0.000 1.368 182 I CB -0.286 37.589 38.000 -0.208 0.000 1.058 182 I HN 0.376 nan 8.210 nan 0.000 0.410 183 R N 1.074 121.505 120.500 -0.116 0.000 2.083 183 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 183 R C 2.380 178.673 176.300 -0.011 0.000 1.137 183 R CA 1.791 57.869 56.100 -0.037 0.000 0.951 183 R CB -0.202 30.093 30.300 -0.007 0.000 0.851 183 R HN 0.224 nan 8.270 nan 0.000 0.434 184 M N -0.398 119.147 119.600 -0.092 0.000 2.082 184 M HA -0.124 4.356 4.480 -0.000 0.000 0.258 184 M C 2.386 178.621 176.300 -0.108 0.000 1.069 184 M CA 1.994 57.179 55.300 -0.193 0.000 1.102 184 M CB -0.655 31.643 32.600 -0.502 0.000 1.336 184 M HN 0.445 nan 8.290 nan 0.000 0.404 185 G N -0.576 108.141 108.800 -0.139 0.000 2.440 185 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 185 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 185 G C 1.622 176.510 174.900 -0.021 0.000 1.154 185 G CA 1.331 46.365 45.100 -0.109 0.000 0.767 185 G HN 0.482 nan 8.290 nan 0.000 0.552 186 S N 0.375 116.059 115.700 -0.027 0.000 2.359 186 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 186 S C 2.254 177.028 174.600 0.290 0.000 1.035 186 S CA 1.984 60.235 58.200 0.085 0.000 1.018 186 S CB -0.365 62.899 63.200 0.107 0.000 0.876 186 S HN 0.583 nan 8.310 nan 0.000 0.448 187 E N -0.008 120.364 120.200 0.287 0.000 2.085 187 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 187 E C 2.175 179.030 176.600 0.426 0.000 0.994 187 E CA 1.528 58.161 56.400 0.389 0.000 0.801 187 E CB -0.241 29.696 29.700 0.395 0.000 0.743 187 E HN 0.409 nan 8.360 nan 0.000 0.453 188 V N 1.013 121.123 119.914 0.327 0.000 2.358 188 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 188 V C 1.987 178.248 176.094 0.279 0.000 1.047 188 V CA 1.677 64.150 62.300 0.289 0.000 1.035 188 V CB -0.538 31.401 31.823 0.193 0.000 0.658 188 V HN 0.243 nan 8.190 nan 0.000 0.452 189 F N 1.195 121.193 119.950 0.080 0.000 2.091 189 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 189 F C 2.340 178.180 175.800 0.066 0.000 1.103 189 F CA 2.417 60.436 58.000 0.032 0.000 1.228 189 F CB -0.490 38.405 39.000 -0.175 0.000 0.984 189 F HN 0.285 nan 8.300 nan 0.000 0.477 190 H N -2.078 117.082 119.070 0.151 0.000 2.363 190 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 190 H C 2.238 177.493 175.328 -0.123 0.000 1.074 190 H CA 1.627 57.653 56.048 -0.036 0.000 1.354 190 H CB -0.320 29.445 29.762 0.006 0.000 1.397 190 H HN 0.300 nan 8.280 nan 0.000 0.516 191 H N -0.166 118.981 119.070 0.128 0.000 2.387 191 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 191 H C 2.183 177.499 175.328 -0.020 0.000 1.090 191 H CA 1.168 57.247 56.048 0.052 0.000 1.332 191 H CB -0.123 29.681 29.762 0.071 0.000 1.386 191 H HN 0.238 nan 8.280 nan 0.000 0.516 192 L N 1.008 122.270 121.223 0.065 0.000 2.083 192 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 192 L C 2.550 179.240 176.870 -0.301 0.000 1.083 192 L CA 1.674 56.477 54.840 -0.062 0.000 0.752 192 L CB -0.841 41.237 42.059 0.031 0.000 0.899 192 L HN 0.140 nan 8.230 nan 0.000 0.433 193 A N -0.485 122.094 122.820 -0.403 0.000 1.908 193 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 193 A C 2.320 179.748 177.584 -0.260 0.000 1.181 193 A CA 2.057 53.799 52.037 -0.491 0.000 0.627 193 A CB -0.503 18.302 19.000 -0.325 0.000 0.818 193 A HN 0.518 nan 8.150 nan 0.000 0.445 194 K N -0.503 119.807 120.400 -0.150 0.000 2.026 194 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 194 K C 1.908 178.463 176.600 -0.076 0.000 1.048 194 K CA 1.462 57.696 56.287 -0.089 0.000 0.929 194 K CB -0.491 31.980 32.500 -0.049 0.000 0.713 194 K HN 0.296 nan 8.250 nan 0.000 0.439 195 V N 2.153 122.027 119.914 -0.067 0.000 2.255 195 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 195 V C 2.290 178.328 176.094 -0.093 0.000 1.051 195 V CA 1.756 64.022 62.300 -0.058 0.000 1.018 195 V CB -0.483 31.317 31.823 -0.038 0.000 0.641 195 V HN 0.284 nan 8.190 nan 0.000 0.445 196 L N 0.066 121.192 121.223 -0.162 0.000 2.046 196 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 196 L C 2.978 179.772 176.870 -0.127 0.000 1.077 196 L CA 2.135 56.873 54.840 -0.169 0.000 0.747 196 L CB -0.994 40.890 42.059 -0.292 0.000 0.896 196 L HN 0.449 nan 8.230 nan 0.000 0.432 197 K N 0.451 120.772 120.400 -0.131 0.000 2.097 197 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 197 K C 2.199 178.765 176.600 -0.057 0.000 1.049 197 K CA 1.423 57.657 56.287 -0.088 0.000 0.933 197 K CB -1.204 31.246 32.500 -0.083 0.000 0.717 197 K HN 0.429 nan 8.250 nan 0.000 0.442 198 A N 1.318 124.106 122.820 -0.053 0.000 2.019 198 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 198 A C 2.139 179.705 177.584 -0.030 0.000 1.164 198 A CA 1.717 53.733 52.037 -0.035 0.000 0.644 198 A CB -0.158 18.825 19.000 -0.028 0.000 0.805 198 A HN 0.581 nan 8.150 nan 0.000 0.449 199 K N -1.178 119.199 120.400 -0.037 0.000 2.444 199 K HA 0.236 4.556 4.320 -0.000 0.000 0.193 199 K C 0.900 177.485 176.600 -0.025 0.000 1.024 199 K CA 0.400 56.670 56.287 -0.029 0.000 1.077 199 K CB -0.034 32.447 32.500 -0.031 0.000 0.833 199 K HN 0.599 nan 8.250 nan 0.000 0.517 200 G N 2.050 110.833 108.800 -0.029 0.000 2.198 200 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 200 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 200 G C 0.019 174.906 174.900 -0.022 0.000 1.025 200 G CA 0.300 45.387 45.100 -0.022 0.000 0.769 200 G HN 0.187 nan 8.290 nan 0.000 0.507 201 M N -0.117 119.461 119.600 -0.037 0.000 2.528 201 M HA 0.322 4.802 4.480 -0.000 0.000 0.318 201 M C 0.609 176.883 176.300 -0.044 0.000 1.195 201 M CA -0.847 54.432 55.300 -0.034 0.000 1.000 201 M CB 1.006 33.581 32.600 -0.041 0.000 1.615 201 M HN 0.167 nan 8.290 nan 0.000 0.469 202 N N 0.860 119.549 118.700 -0.018 0.000 2.488 202 N HA 0.105 4.845 4.740 -0.000 0.000 0.274 202 N C -0.067 175.440 175.510 -0.005 0.000 1.111 202 N CA 0.278 53.328 53.050 0.001 0.000 0.974 202 N CB 1.080 39.586 38.487 0.032 0.000 1.089 202 N HN 0.752 nan 8.380 nan 0.000 0.465 203 T N 0.003 114.557 114.554 0.001 0.000 3.174 203 T HA 0.401 4.751 4.350 -0.000 0.000 0.269 203 T C 0.716 175.559 174.700 0.239 0.000 1.017 203 T CA -0.565 61.554 62.100 0.032 0.000 0.899 203 T CB 0.071 68.851 68.868 -0.147 0.000 1.077 203 T HN 0.506 nan 8.240 nan 0.000 0.552 204 A N 1.680 124.599 122.820 0.166 0.000 2.429 204 A HA 0.619 4.939 4.320 -0.000 0.000 0.242 204 A C 0.607 178.308 177.584 0.194 0.000 1.088 204 A CA -0.201 51.931 52.037 0.158 0.000 0.784 204 A CB 0.056 19.117 19.000 0.101 0.000 1.038 204 A HN 1.114 nan 8.150 nan 0.000 0.501 205 V N -0.762 119.232 119.914 0.133 0.000 2.919 205 V HA 0.906 5.026 4.120 -0.000 0.000 0.316 205 V C 0.556 176.684 176.094 0.057 0.000 1.077 205 V CA -0.060 62.294 62.300 0.089 0.000 0.977 205 V CB 1.202 33.057 31.823 0.053 0.000 1.039 205 V HN 1.347 nan 8.190 nan 0.000 0.441 206 G N 0.838 109.661 108.800 0.039 0.000 2.531 206 G HA2 0.344 4.304 3.960 -0.000 0.000 0.281 206 G HA3 0.344 4.304 3.960 -0.000 0.000 0.281 206 G C 0.130 175.018 174.900 -0.020 0.000 1.382 206 G CA 0.075 45.183 45.100 0.013 0.000 1.045 206 G HN 0.755 nan 8.290 nan 0.000 0.533 207 D N -0.249 120.113 120.400 -0.062 0.000 2.182 207 D HA -0.068 4.572 4.640 -0.000 0.000 0.201 207 D C 2.047 178.293 176.300 -0.090 0.000 0.986 207 D CA 1.145 55.090 54.000 -0.092 0.000 0.847 207 D CB 0.137 40.844 40.800 -0.155 0.000 0.942 207 D HN 0.475 nan 8.370 nan 0.000 0.467 208 E N -0.971 119.191 120.200 -0.064 0.000 2.479 208 E HA 0.297 4.647 4.350 -0.000 0.000 0.193 208 E C 1.357 177.959 176.600 0.002 0.000 1.049 208 E CA 0.488 56.878 56.400 -0.017 0.000 0.870 208 E CB 0.450 30.197 29.700 0.078 0.000 0.944 208 E HN 0.222 nan 8.360 nan 0.000 0.492 209 G N -0.092 108.695 108.800 -0.023 0.000 2.157 209 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.239 209 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.239 209 G C 0.541 175.394 174.900 -0.078 0.000 0.982 209 G CA -0.200 44.868 45.100 -0.054 0.000 0.650 209 G HN 0.551 nan 8.290 nan 0.000 0.527 210 G N -1.183 107.586 108.800 -0.052 0.000 2.613 210 G HA2 0.667 4.627 3.960 -0.000 0.000 0.303 210 G HA3 0.667 4.627 3.960 -0.000 0.000 0.303 210 G C -0.377 174.438 174.900 -0.142 0.000 1.312 210 G CA -1.030 44.002 45.100 -0.114 0.000 1.036 210 G HN 0.257 nan 8.290 nan 0.000 0.513 211 Y N -1.005 119.392 120.300 0.162 0.000 2.335 211 Y HA 0.518 5.068 4.550 -0.000 0.000 0.323 211 Y C 0.735 176.694 175.900 0.098 0.000 1.224 211 Y CA -0.496 57.662 58.100 0.097 0.000 1.241 211 Y CB 1.938 40.421 38.460 0.038 0.000 1.235 211 Y HN 0.537 nan 8.280 nan 0.000 0.492 212 A N 2.819 125.787 122.820 0.246 0.000 3.355 212 A HA 0.415 4.735 4.320 -0.000 0.000 0.290 212 A C -2.708 174.960 177.584 0.139 0.000 0.973 212 A CA -1.277 50.865 52.037 0.175 0.000 0.933 212 A CB -0.631 18.453 19.000 0.141 0.000 1.138 212 A HN 0.462 nan 8.150 nan 0.000 0.490 213 P HA 0.083 nan 4.420 nan 0.000 0.276 213 P C -0.244 177.097 177.300 0.069 0.000 1.261 213 P CA -0.510 62.635 63.100 0.075 0.000 0.800 213 P CB 0.618 32.338 31.700 0.032 0.000 1.066 214 N N 0.640 119.369 118.700 0.050 0.000 3.193 214 N HA 0.087 4.827 4.740 -0.000 0.000 0.312 214 N C -0.237 175.300 175.510 0.044 0.000 1.261 214 N CA -0.272 52.808 53.050 0.049 0.000 1.208 214 N CB -0.561 37.950 38.487 0.039 0.000 1.471 214 N HN 0.271 nan 8.380 nan 0.000 0.548 215 L N 0.078 121.334 121.223 0.055 0.000 2.417 215 L HA 0.209 4.549 4.340 -0.000 0.000 0.268 215 L C 1.785 178.689 176.870 0.058 0.000 1.158 215 L CA -0.427 54.443 54.840 0.050 0.000 0.819 215 L CB 1.032 43.124 42.059 0.055 0.000 1.112 215 L HN 0.275 nan 8.230 nan 0.000 0.458 216 G N 0.565 109.394 108.800 0.048 0.000 2.777 216 G HA2 0.125 4.085 3.960 -0.000 0.000 0.211 216 G HA3 0.125 4.085 3.960 -0.000 0.000 0.211 216 G C 0.300 175.240 174.900 0.066 0.000 1.149 216 G CA 0.693 45.824 45.100 0.053 0.000 0.785 216 G HN 0.641 nan 8.290 nan 0.000 0.536 217 S N -1.786 113.958 115.700 0.073 0.000 2.595 217 S HA 0.242 4.712 4.470 -0.000 0.000 0.270 217 S C 0.349 175.011 174.600 0.104 0.000 1.145 217 S CA -0.691 57.565 58.200 0.093 0.000 0.825 217 S CB 0.817 64.067 63.200 0.083 0.000 1.107 217 S HN -0.088 nan 8.310 nan 0.000 0.461 218 N N 1.336 120.130 118.700 0.156 0.000 2.061 218 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 218 N C 2.040 177.532 175.510 -0.030 0.000 1.030 218 N CA 2.059 55.220 53.050 0.185 0.000 0.856 218 N CB -1.151 37.512 38.487 0.292 0.000 1.023 218 N HN 0.843 nan 8.380 nan 0.000 0.424 219 A N 1.128 123.949 122.820 0.001 0.000 1.883 219 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 219 A C 2.187 179.724 177.584 -0.077 0.000 1.186 219 A CA 1.705 53.720 52.037 -0.036 0.000 0.624 219 A CB -0.662 18.368 19.000 0.050 0.000 0.822 219 A HN 0.434 nan 8.150 nan 0.000 0.444 220 E N -0.330 119.849 120.200 -0.035 0.000 2.110 220 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 220 E C 2.160 178.702 176.600 -0.097 0.000 0.988 220 E CA 0.915 57.291 56.400 -0.039 0.000 0.804 220 E CB -0.233 29.466 29.700 -0.002 0.000 0.745 220 E HN 0.562 nan 8.360 nan 0.000 0.458 221 A N 0.909 123.648 122.820 -0.135 0.000 1.877 221 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 221 A C 2.164 179.494 177.584 -0.422 0.000 1.186 221 A CA 1.190 53.098 52.037 -0.215 0.000 0.620 221 A CB -0.690 18.208 19.000 -0.170 0.000 0.822 221 A HN 0.290 nan 8.150 nan 0.000 0.443 222 L N -0.801 120.034 121.223 -0.647 0.000 2.131 222 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 222 L C 3.048 179.642 176.870 -0.460 0.000 1.092 222 L CA 0.938 55.267 54.840 -0.852 0.000 0.759 222 L CB -0.442 40.748 42.059 -1.449 0.000 0.903 222 L HN 0.444 nan 8.230 nan 0.000 0.435 223 A N 0.000 122.687 122.820 -0.222 0.000 1.898 223 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 223 A C 2.331 179.893 177.584 -0.037 0.000 1.181 223 A CA 1.860 53.880 52.037 -0.029 0.000 0.620 223 A CB -0.907 18.100 19.000 0.012 0.000 0.819 223 A HN 0.305 nan 8.150 nan 0.000 0.442 224 V N -1.759 118.114 119.914 -0.069 0.000 2.515 224 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 224 V C 2.192 178.266 176.094 -0.034 0.000 1.058 224 V CA 1.786 64.059 62.300 -0.045 0.000 1.064 224 V CB -0.924 30.871 31.823 -0.047 0.000 0.675 224 V HN 0.467 nan 8.190 nan 0.000 0.461 225 I N 1.471 121.999 120.570 -0.069 0.000 2.142 225 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 225 I C 3.027 179.145 176.117 0.000 0.000 1.078 225 I CA 1.800 63.078 61.300 -0.036 0.000 1.343 225 I CB -0.780 37.161 38.000 -0.098 0.000 1.046 225 I HN 0.367 nan 8.210 nan 0.000 0.405 226 A N 0.291 123.112 122.820 0.001 0.000 1.883 226 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 226 A C 2.324 179.932 177.584 0.039 0.000 1.186 226 A CA 2.195 54.266 52.037 0.058 0.000 0.624 226 A CB -0.772 18.310 19.000 0.137 0.000 0.822 226 A HN 0.529 nan 8.150 nan 0.000 0.444 227 E N -0.299 119.915 120.200 0.023 0.000 2.085 227 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 227 E C 2.136 178.743 176.600 0.013 0.000 0.994 227 E CA 1.115 57.522 56.400 0.013 0.000 0.801 227 E CB -0.262 29.441 29.700 0.005 0.000 0.743 227 E HN 0.553 nan 8.360 nan 0.000 0.453 228 A N 0.390 123.228 122.820 0.031 0.000 1.898 228 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 228 A C 2.394 180.013 177.584 0.057 0.000 1.181 228 A CA 1.298 53.373 52.037 0.064 0.000 0.620 228 A CB -0.587 18.468 19.000 0.091 0.000 0.819 228 A HN 0.224 nan 8.150 nan 0.000 0.442 229 V N 0.235 120.190 119.914 0.068 0.000 2.295 229 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 229 V C 2.553 178.678 176.094 0.052 0.000 1.049 229 V CA 2.478 64.837 62.300 0.099 0.000 1.024 229 V CB -0.647 31.234 31.823 0.097 0.000 0.648 229 V HN 0.703 nan 8.190 nan 0.000 0.447 230 K N 0.262 120.667 120.400 0.008 0.000 2.026 230 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 230 K C 2.170 178.698 176.600 -0.120 0.000 1.048 230 K CA 1.578 57.843 56.287 -0.037 0.000 0.929 230 K CB -0.398 32.089 32.500 -0.022 0.000 0.713 230 K HN 0.414 nan 8.250 nan 0.000 0.439 231 A N 0.758 123.486 122.820 -0.152 0.000 1.972 231 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 231 A C 2.197 179.372 177.584 -0.681 0.000 1.169 231 A CA 1.758 53.618 52.037 -0.295 0.000 0.635 231 A CB -0.680 18.218 19.000 -0.170 0.000 0.810 231 A HN 0.475 nan 8.150 nan 0.000 0.446 232 A N -1.914 120.544 122.820 -0.603 0.000 2.206 232 A HA 0.382 4.702 4.320 -0.000 0.000 0.211 232 A C 1.824 179.126 177.584 -0.470 0.000 1.158 232 A CA 1.322 53.043 52.037 -0.527 0.000 0.761 232 A CB -0.855 18.173 19.000 0.048 0.000 0.801 232 A HN 1.896 nan 8.150 nan 0.000 0.473 233 G N -2.912 105.644 108.800 -0.406 0.000 2.141 233 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.231 233 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.231 233 G C -0.147 174.446 174.900 -0.512 0.000 0.984 233 G CA 0.284 45.119 45.100 -0.443 0.000 0.660 233 G HN 0.413 nan 8.290 nan 0.000 0.525 234 Y N 0.091 120.364 120.300 -0.045 0.000 2.496 234 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 234 Y C 0.579 176.469 175.900 -0.016 0.000 1.140 234 Y CA -1.275 56.813 58.100 -0.021 0.000 1.166 234 Y CB 1.193 39.649 38.460 -0.007 0.000 1.249 234 Y HN 0.170 nan 8.280 nan 0.000 0.479 235 E N 2.143 122.448 120.200 0.176 0.000 2.109 235 E HA 0.310 4.660 4.350 -0.000 0.000 0.278 235 E C -1.394 175.256 176.600 0.083 0.000 0.954 235 E CA -0.890 55.563 56.400 0.090 0.000 0.779 235 E CB 0.756 30.492 29.700 0.061 0.000 1.093 235 E HN 0.582 nan 8.360 nan 0.000 0.401 236 L N 5.106 126.369 121.223 0.067 0.000 2.513 236 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 236 L C 1.159 178.055 176.870 0.043 0.000 1.187 236 L CA 1.953 56.830 54.840 0.061 0.000 0.895 236 L CB 0.583 42.682 42.059 0.067 0.000 1.147 236 L HN 0.902 nan 8.230 nan 0.000 0.483 237 G N 2.935 111.760 108.800 0.041 0.000 2.234 237 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.235 237 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.235 237 G C 1.021 175.934 174.900 0.023 0.000 0.997 237 G CA 0.522 45.638 45.100 0.028 0.000 0.623 237 G HN 0.685 nan 8.290 nan 0.000 0.514 238 K N -0.458 119.960 120.400 0.031 0.000 2.309 238 K HA 0.153 4.473 4.320 -0.000 0.000 0.210 238 K C 1.546 178.168 176.600 0.037 0.000 1.114 238 K CA 0.534 56.840 56.287 0.031 0.000 0.912 238 K CB 0.227 32.747 32.500 0.033 0.000 1.198 238 K HN 0.105 nan 8.250 nan 0.000 0.471 239 D N 0.411 120.842 120.400 0.052 0.000 2.183 239 D HA 0.083 4.723 4.640 -0.000 0.000 0.205 239 D C 0.318 176.609 176.300 -0.014 0.000 0.962 239 D CA 0.914 54.936 54.000 0.036 0.000 0.849 239 D CB 0.756 41.617 40.800 0.102 0.000 0.978 239 D HN 0.180 nan 8.370 nan 0.000 0.488 240 I N 0.732 121.306 120.570 0.007 0.000 2.512 240 I HA 0.111 4.281 4.170 -0.000 0.000 0.287 240 I C 0.031 176.163 176.117 0.024 0.000 1.069 240 I CA -0.460 60.838 61.300 -0.003 0.000 1.056 240 I CB 2.299 40.292 38.000 -0.012 0.000 1.229 240 I HN -0.191 nan 8.210 nan 0.000 0.429 241 T N 4.107 118.675 114.554 0.023 0.000 2.937 241 T HA 0.786 5.136 4.350 -0.000 0.000 0.283 241 T C -0.425 174.301 174.700 0.044 0.000 1.012 241 T CA -0.854 61.266 62.100 0.033 0.000 0.997 241 T CB 1.578 70.460 68.868 0.023 0.000 1.136 241 T HN 0.318 nan 8.240 nan 0.000 0.551 242 L N 0.671 121.927 121.223 0.056 0.000 2.346 242 L HA 0.780 5.120 4.340 -0.000 0.000 0.274 242 L C -0.030 176.887 176.870 0.078 0.000 1.007 242 L CA -1.244 53.642 54.840 0.077 0.000 0.818 242 L CB 1.827 43.939 42.059 0.089 0.000 1.284 242 L HN 1.008 nan 8.230 nan 0.000 0.424 243 A N 4.187 127.062 122.820 0.092 0.000 2.413 243 A HA 0.990 5.310 4.320 -0.000 0.000 0.307 243 A C -0.691 176.943 177.584 0.083 0.000 1.087 243 A CA -0.617 51.460 52.037 0.066 0.000 0.750 243 A CB 2.104 21.125 19.000 0.035 0.000 1.296 243 A HN 0.769 nan 8.150 nan 0.000 0.423 244 M N 0.187 119.799 119.600 0.020 0.000 2.618 244 M HA 0.725 5.205 4.480 -0.000 0.000 0.281 244 M C -1.968 174.279 176.300 -0.087 0.000 1.267 244 M CA -0.679 54.572 55.300 -0.083 0.000 0.845 244 M CB 2.293 34.787 32.600 -0.177 0.000 1.732 244 M HN 0.485 nan 8.290 nan 0.000 0.461 245 D N 0.660 120.977 120.400 -0.138 0.000 2.471 245 D HA 0.445 5.085 4.640 -0.000 0.000 0.245 245 D C -0.172 176.063 176.300 -0.108 0.000 1.116 245 D CA -0.503 53.444 54.000 -0.089 0.000 0.853 245 D CB 1.792 42.553 40.800 -0.066 0.000 1.123 245 D HN 0.762 nan 8.370 nan 0.000 0.540 246 C N 3.060 122.340 119.300 -0.033 0.000 2.464 246 C HA 0.333 4.793 4.460 -0.000 0.000 0.278 246 C C 1.557 176.528 174.990 -0.032 0.000 1.375 246 C CA 0.493 59.552 59.018 0.068 0.000 1.761 246 C CB -1.351 26.523 27.740 0.222 0.000 1.944 246 C HN 0.900 nan 8.230 nan 0.000 0.509 247 A N 0.502 123.254 122.820 -0.113 0.000 2.511 247 A HA -0.121 4.199 4.320 -0.000 0.000 0.297 247 A C 1.396 178.730 177.584 -0.417 0.000 1.476 247 A CA 0.927 52.839 52.037 -0.207 0.000 0.757 247 A CB -1.438 17.422 19.000 -0.234 0.000 1.072 247 A HN 1.042 nan 8.150 nan 0.000 0.413 248 A N 0.450 123.044 122.820 -0.377 0.000 2.125 248 A HA 0.111 4.431 4.320 -0.000 0.000 0.219 248 A C 2.408 179.664 177.584 -0.547 0.000 1.156 248 A CA 1.958 53.601 52.037 -0.657 0.000 0.671 248 A CB -0.852 18.038 19.000 -0.183 0.000 0.794 248 A HN 2.176 nan 8.150 nan 0.000 0.459 249 S N 0.095 115.605 115.700 -0.316 0.000 2.419 249 S HA -0.182 4.288 4.470 -0.000 0.000 0.235 249 S C 1.455 175.930 174.600 -0.209 0.000 1.019 249 S CA 1.319 59.411 58.200 -0.179 0.000 0.982 249 S CB -0.330 62.812 63.200 -0.097 0.000 0.789 249 S HN 0.575 nan 8.310 nan 0.000 0.490 250 E N 1.518 121.483 120.200 -0.392 0.000 2.204 250 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 250 E C 1.257 177.748 176.600 -0.182 0.000 0.989 250 E CA 0.964 57.196 56.400 -0.279 0.000 0.824 250 E CB -0.369 29.175 29.700 -0.259 0.000 0.756 250 E HN 0.984 nan 8.360 nan 0.000 0.477 251 F N -2.214 117.745 119.950 0.016 0.000 2.668 251 F HA 0.270 4.797 4.527 -0.000 0.000 0.301 251 F C 0.334 176.122 175.800 -0.020 0.000 1.106 251 F CA -1.170 56.825 58.000 -0.008 0.000 1.289 251 F CB -0.369 38.609 39.000 -0.037 0.000 1.006 251 F HN -0.258 nan 8.300 nan 0.000 0.535 252 Y N 3.640 123.851 120.300 -0.147 0.000 2.436 252 Y HA 0.523 5.073 4.550 -0.000 0.000 0.343 252 Y C -0.063 175.705 175.900 -0.219 0.000 1.008 252 Y CA -0.921 56.972 58.100 -0.345 0.000 1.241 252 Y CB -0.035 38.205 38.460 -0.367 0.000 1.153 252 Y HN 0.193 nan 8.280 nan 0.000 0.521 253 K N 2.254 122.375 120.400 -0.465 0.000 2.535 253 K HA 0.560 4.880 4.320 -0.000 0.000 0.250 253 K C 0.129 176.464 176.600 -0.442 0.000 0.948 253 K CA -0.233 55.828 56.287 -0.377 0.000 0.796 253 K CB 0.154 32.548 32.500 -0.177 0.000 1.216 253 K HN 1.152 nan 8.250 nan 0.000 0.432 254 D N 0.256 120.411 120.400 -0.409 0.000 2.708 254 D HA 0.234 4.874 4.640 -0.000 0.000 0.236 254 D C 1.885 177.967 176.300 -0.364 0.000 1.146 254 D CA 2.350 56.162 54.000 -0.312 0.000 0.662 254 D CB -1.957 38.730 40.800 -0.188 0.000 1.059 254 D HN 2.535 nan 8.370 nan 0.000 0.428 255 G N -1.627 106.788 108.800 -0.643 0.000 2.184 255 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 255 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 255 G C 0.475 175.187 174.900 -0.315 0.000 0.975 255 G CA 1.290 46.106 45.100 -0.473 0.000 0.642 255 G HN 1.148 nan 8.290 nan 0.000 0.536 256 K N -1.154 118.988 120.400 -0.430 0.000 2.306 256 K HA 0.650 4.970 4.320 -0.000 0.000 0.236 256 K C -1.175 175.247 176.600 -0.296 0.000 1.013 256 K CA -0.965 55.213 56.287 -0.183 0.000 0.857 256 K CB 1.372 33.831 32.500 -0.069 0.000 1.214 256 K HN 0.069 nan 8.250 nan 0.000 0.449 257 Y N 0.386 120.758 120.300 0.120 0.000 2.402 257 Y HA 0.245 4.795 4.550 -0.000 0.000 0.332 257 Y C -0.431 175.487 175.900 0.031 0.000 0.960 257 Y CA -0.933 57.203 58.100 0.061 0.000 1.228 257 Y CB 1.336 39.628 38.460 -0.280 0.000 1.120 257 Y HN 0.064 nan 8.280 nan 0.000 0.491 258 V N 5.949 125.937 119.914 0.124 0.000 2.318 258 V HA 0.229 4.349 4.120 -0.000 0.000 0.271 258 V C -0.356 175.703 176.094 -0.058 0.000 1.030 258 V CA -0.615 61.712 62.300 0.046 0.000 0.844 258 V CB 0.499 32.337 31.823 0.025 0.000 1.015 258 V HN 0.484 nan 8.190 nan 0.000 0.460 259 L N 5.249 126.403 121.223 -0.115 0.000 2.255 259 L HA 0.650 4.990 4.340 -0.000 0.000 0.289 259 L C 0.826 177.656 176.870 -0.067 0.000 1.046 259 L CA 0.530 55.225 54.840 -0.242 0.000 0.816 259 L CB 1.135 42.968 42.059 -0.375 0.000 1.197 259 L HN 0.730 nan 8.230 nan 0.000 0.427 265 K N 1.185 121.525 120.400 -0.099 0.000 2.484 265 K HA 0.517 4.837 4.320 -0.000 0.000 0.280 265 K C 0.397 176.851 176.600 -0.242 0.000 1.013 265 K CA 0.471 56.609 56.287 -0.248 0.000 1.029 265 K CB 0.522 32.745 32.500 -0.461 0.000 0.902 265 K HN 0.605 nan 8.250 nan 0.000 0.481 266 A N 6.229 128.917 122.820 -0.220 0.000 2.582 266 A HA 0.316 4.636 4.320 -0.000 0.000 0.336 266 A C -0.809 176.730 177.584 -0.074 0.000 1.445 266 A CA -0.717 51.268 52.037 -0.087 0.000 0.997 266 A CB -0.337 18.623 19.000 -0.066 0.000 1.148 266 A HN 0.651 nan 8.150 nan 0.000 0.514 267 F N 1.789 121.764 119.950 0.041 0.000 2.471 267 F HA 0.275 4.802 4.527 -0.000 0.000 0.353 267 F C 1.817 177.732 175.800 0.191 0.000 1.113 267 F CA 0.620 58.692 58.000 0.121 0.000 1.262 267 F CB 0.900 40.008 39.000 0.180 0.000 1.146 267 F HN 0.614 nan 8.300 nan 0.000 0.578 268 T N -1.005 113.752 114.554 0.338 0.000 2.766 268 T HA 0.080 4.430 4.350 -0.000 0.000 0.295 268 T C 1.255 176.189 174.700 0.390 0.000 1.024 268 T CA -0.473 61.802 62.100 0.290 0.000 1.018 268 T CB 0.942 69.903 68.868 0.156 0.000 1.002 268 T HN 0.568 nan 8.240 nan 0.000 0.532 269 S N 1.005 116.914 115.700 0.349 0.000 2.365 269 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 269 S C 1.986 176.643 174.600 0.096 0.000 1.039 269 S CA 1.776 60.132 58.200 0.261 0.000 1.033 269 S CB -0.580 62.742 63.200 0.204 0.000 0.887 269 S HN 0.845 nan 8.310 nan 0.000 0.447 270 E N 1.246 121.428 120.200 -0.030 0.000 2.047 270 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 270 E C 2.115 178.828 176.600 0.189 0.000 0.987 270 E CA 1.087 57.382 56.400 -0.176 0.000 0.799 270 E CB -0.239 29.163 29.700 -0.498 0.000 0.752 270 E HN 0.572 nan 8.360 nan 0.000 0.449 271 E N -0.354 120.009 120.200 0.273 0.000 2.077 271 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 271 E C 1.745 178.587 176.600 0.404 0.000 0.989 271 E CA 0.846 57.500 56.400 0.423 0.000 0.800 271 E CB -0.188 29.791 29.700 0.466 0.000 0.746 271 E HN 0.184 nan 8.360 nan 0.000 0.452 272 F N 1.521 121.534 119.950 0.105 0.000 2.186 272 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 272 F C 2.294 178.023 175.800 -0.119 0.000 1.090 272 F CA 1.367 59.249 58.000 -0.196 0.000 1.307 272 F CB -0.481 38.293 39.000 -0.378 0.000 1.019 272 F HN -0.122 nan 8.300 nan 0.000 0.489 273 T N -0.468 114.001 114.554 -0.140 0.000 2.699 273 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 273 T C 1.806 176.338 174.700 -0.280 0.000 1.036 273 T CA 1.936 63.884 62.100 -0.254 0.000 1.147 273 T CB -0.476 68.321 68.868 -0.117 0.000 0.862 273 T HN 0.394 nan 8.240 nan 0.000 0.446 274 H N -0.641 118.449 119.070 0.034 0.000 2.462 274 H HA 0.078 4.634 4.556 -0.000 0.000 0.292 274 H C 2.068 177.384 175.328 -0.020 0.000 1.049 274 H CA 0.745 56.812 56.048 0.032 0.000 1.334 274 H CB -0.488 29.342 29.762 0.113 0.000 1.404 274 H HN 0.408 nan 8.280 nan 0.000 0.544 275 F N 1.811 121.683 119.950 -0.130 0.000 2.102 275 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 275 F C 2.187 177.790 175.800 -0.328 0.000 1.105 275 F CA 1.082 58.923 58.000 -0.265 0.000 1.239 275 F CB -0.476 38.181 39.000 -0.573 0.000 0.991 275 F HN -0.042 nan 8.300 nan 0.000 0.474 276 L N 0.151 121.142 121.223 -0.387 0.000 2.046 276 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 276 L C 2.534 179.242 176.870 -0.270 0.000 1.077 276 L CA 1.832 56.437 54.840 -0.392 0.000 0.747 276 L CB -0.992 40.819 42.059 -0.413 0.000 0.896 276 L HN 0.265 nan 8.230 nan 0.000 0.432 277 E N 0.697 120.779 120.200 -0.197 0.000 2.070 277 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 277 E C 2.223 178.760 176.600 -0.104 0.000 1.004 277 E CA 2.011 58.345 56.400 -0.110 0.000 0.805 277 E CB 0.097 29.783 29.700 -0.022 0.000 0.744 277 E HN 0.539 nan 8.360 nan 0.000 0.451 278 E N 1.116 121.236 120.200 -0.134 0.000 2.085 278 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 278 E C 2.057 178.558 176.600 -0.164 0.000 0.994 278 E CA 1.509 57.825 56.400 -0.141 0.000 0.801 278 E CB -1.024 28.577 29.700 -0.165 0.000 0.743 278 E HN 0.366 nan 8.360 nan 0.000 0.453 279 L N 1.112 122.183 121.223 -0.253 0.000 2.079 279 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 279 L C 3.140 179.993 176.870 -0.029 0.000 1.081 279 L CA 2.096 56.848 54.840 -0.146 0.000 0.752 279 L CB -0.684 41.253 42.059 -0.203 0.000 0.896 279 L HN 0.625 nan 8.230 nan 0.000 0.433 280 T N -3.789 110.729 114.554 -0.060 0.000 3.035 280 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 280 T C 1.792 176.477 174.700 -0.026 0.000 1.109 280 T CA 0.460 62.545 62.100 -0.025 0.000 1.119 280 T CB -0.031 68.809 68.868 -0.046 0.000 0.900 280 T HN 0.122 nan 8.240 nan 0.000 0.503 281 K N 1.275 121.647 120.400 -0.047 0.000 2.186 281 K HA 0.145 4.465 4.320 -0.000 0.000 0.202 281 K C 2.467 179.018 176.600 -0.081 0.000 1.052 281 K CA 0.867 57.121 56.287 -0.056 0.000 0.965 281 K CB -0.223 32.244 32.500 -0.055 0.000 0.746 281 K HN 0.562 nan 8.250 nan 0.000 0.457 282 Q N -0.927 118.821 119.800 -0.086 0.000 2.163 282 Q HA 0.012 4.352 4.340 -0.000 0.000 0.198 282 Q C 0.009 175.782 176.000 -0.379 0.000 0.954 282 Q CA 0.948 56.632 55.803 -0.199 0.000 0.851 282 Q CB 0.244 28.907 28.738 -0.126 0.000 0.928 282 Q HN 0.174 nan 8.270 nan 0.000 0.459 283 Y N -0.439 119.825 120.300 -0.061 0.000 2.536 283 Y HA 0.270 4.820 4.550 -0.000 0.000 0.347 283 Y C -2.110 173.768 175.900 -0.036 0.000 1.000 283 Y CA -2.841 55.229 58.100 -0.050 0.000 1.051 283 Y CB 1.558 39.982 38.460 -0.061 0.000 1.259 283 Y HN -0.111 nan 8.280 nan 0.000 0.468 284 P HA 0.160 nan 4.420 nan 0.000 0.225 284 P C -0.512 176.835 177.300 0.077 0.000 1.768 284 P CA 0.479 63.623 63.100 0.073 0.000 0.943 284 P CB -0.655 31.079 31.700 0.056 0.000 1.936 285 I N 1.461 122.082 120.570 0.085 0.000 2.363 285 I HA -0.005 4.165 4.170 -0.000 0.000 0.292 285 I C 1.662 177.796 176.117 0.028 0.000 1.075 285 I CA -0.144 61.197 61.300 0.068 0.000 1.333 285 I CB 1.197 39.245 38.000 0.080 0.000 1.415 285 I HN -0.012 nan 8.210 nan 0.000 0.502 286 V N 1.511 121.437 119.914 0.020 0.000 3.477 286 V HA 0.324 4.444 4.120 -0.000 0.000 0.297 286 V C 0.410 176.496 176.094 -0.014 0.000 1.433 286 V CA -0.037 62.262 62.300 -0.003 0.000 1.052 286 V CB 0.440 32.260 31.823 -0.005 0.000 0.895 286 V HN 0.612 nan 8.190 nan 0.000 0.438 287 S N 0.326 116.024 115.700 -0.004 0.000 2.614 287 S HA 0.794 5.264 4.470 -0.000 0.000 0.275 287 S C -1.179 173.416 174.600 -0.009 0.000 1.161 287 S CA -0.477 57.715 58.200 -0.013 0.000 0.969 287 S CB 1.540 64.733 63.200 -0.011 0.000 1.059 287 S HN 0.363 nan 8.310 nan 0.000 0.482 288 I N 3.496 124.056 120.570 -0.018 0.000 2.468 288 I HA 0.406 4.576 4.170 -0.000 0.000 0.285 288 I C -0.223 175.893 176.117 -0.002 0.000 1.039 288 I CA -0.500 60.790 61.300 -0.017 0.000 1.074 288 I CB 1.937 39.917 38.000 -0.034 0.000 1.228 288 I HN 0.594 nan 8.210 nan 0.000 0.436 289 E N 5.875 126.074 120.200 -0.002 0.000 2.197 289 E HA 0.155 4.505 4.350 -0.000 0.000 0.281 289 E C -0.788 175.829 176.600 0.029 0.000 0.995 289 E CA -0.425 55.981 56.400 0.010 0.000 0.808 289 E CB 0.822 30.521 29.700 -0.002 0.000 1.093 289 E HN 0.496 nan 8.360 nan 0.000 0.394 290 D N 3.149 123.590 120.400 0.069 0.000 2.735 290 D HA -0.166 4.474 4.640 -0.000 0.000 0.235 290 D C 0.734 177.089 176.300 0.092 0.000 1.175 290 D CA 1.057 55.131 54.000 0.124 0.000 0.683 290 D CB -1.104 39.713 40.800 0.029 0.000 1.008 290 D HN 0.741 nan 8.370 nan 0.000 0.416 291 G N -1.011 107.845 108.800 0.094 0.000 2.598 291 G HA2 0.212 4.172 3.960 -0.000 0.000 0.215 291 G HA3 0.212 4.172 3.960 -0.000 0.000 0.215 291 G C 0.756 175.538 174.900 -0.197 0.000 1.131 291 G CA 0.397 45.483 45.100 -0.022 0.000 0.785 291 G HN 0.404 nan 8.290 nan 0.000 0.539 292 L N -1.804 119.113 121.223 -0.510 0.000 2.397 292 L HA 0.372 4.712 4.340 -0.000 0.000 0.251 292 L C -0.988 175.721 176.870 -0.269 0.000 1.064 292 L CA -1.232 53.232 54.840 -0.626 0.000 0.859 292 L CB 1.960 43.391 42.059 -1.048 0.000 1.468 292 L HN -0.134 nan 8.230 nan 0.000 0.411 293 D N -0.210 120.074 120.400 -0.193 0.000 2.443 293 D HA 0.014 4.654 4.640 -0.000 0.000 0.239 293 D C 0.902 177.234 176.300 0.053 0.000 1.136 293 D CA 0.085 53.955 54.000 -0.217 0.000 0.879 293 D CB 1.124 41.446 40.800 -0.797 0.000 1.195 293 D HN 0.619 nan 8.370 nan 0.000 0.443 294 E N 1.020 121.291 120.200 0.117 0.000 2.219 294 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 294 E C 1.548 178.361 176.600 0.356 0.000 0.998 294 E CA 1.768 58.296 56.400 0.214 0.000 0.818 294 E CB -0.425 29.344 29.700 0.116 0.000 0.741 294 E HN 0.309 nan 8.360 nan 0.000 0.477 295 S N -0.389 115.449 115.700 0.230 0.000 2.461 295 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 295 S C 1.003 175.814 174.600 0.352 0.000 1.005 295 S CA 0.545 58.891 58.200 0.243 0.000 0.942 295 S CB -0.230 63.063 63.200 0.154 0.000 0.776 295 S HN 0.181 nan 8.310 nan 0.000 0.514 296 D N 0.636 121.209 120.400 0.289 0.000 2.688 296 D HA 0.161 4.801 4.640 -0.000 0.000 0.228 296 D C -0.156 176.397 176.300 0.422 0.000 1.116 296 D CA -0.501 53.649 54.000 0.250 0.000 1.023 296 D CB -0.607 40.199 40.800 0.009 0.000 1.100 296 D HN 0.390 nan 8.370 nan 0.000 0.487 297 W N 0.729 122.140 121.300 0.185 0.000 2.418 297 W HA -0.045 4.615 4.660 -0.000 0.000 0.292 297 W C 1.831 178.464 176.519 0.191 0.000 1.213 297 W CA 0.236 57.707 57.345 0.210 0.000 1.283 297 W CB -0.097 29.443 29.460 0.133 0.000 1.119 297 W HN 0.239 nan 8.180 nan 0.000 0.542 298 D N -0.779 119.833 120.400 0.353 0.000 2.104 298 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 298 D C 2.389 178.815 176.300 0.211 0.000 0.994 298 D CA 1.972 56.118 54.000 0.244 0.000 0.830 298 D CB -1.113 39.799 40.800 0.186 0.000 0.959 298 D HN 0.233 nan 8.370 nan 0.000 0.452 299 G N 0.076 108.984 108.800 0.179 0.000 2.446 299 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 299 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 299 G C 1.494 176.432 174.900 0.065 0.000 1.168 299 G CA 0.251 45.410 45.100 0.099 0.000 0.771 299 G HN 0.157 nan 8.290 nan 0.000 0.551 300 F N 1.898 121.863 119.950 0.025 0.000 2.171 300 F HA 0.060 4.587 4.527 -0.000 0.000 0.300 300 F C 2.993 178.763 175.800 -0.050 0.000 1.090 300 F CA 0.716 58.665 58.000 -0.084 0.000 1.293 300 F CB -0.395 38.436 39.000 -0.282 0.000 1.013 300 F HN 0.246 nan 8.300 nan 0.000 0.486 301 A N -0.901 122.043 122.820 0.207 0.000 1.883 301 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 301 A C 2.106 179.772 177.584 0.136 0.000 1.186 301 A CA 1.835 53.963 52.037 0.153 0.000 0.624 301 A CB -1.508 17.598 19.000 0.176 0.000 0.822 301 A HN 0.480 nan 8.150 nan 0.000 0.444 302 Y N 0.099 120.425 120.300 0.044 0.000 2.114 302 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 302 Y C 2.658 178.534 175.900 -0.040 0.000 1.143 302 Y CA 2.443 60.549 58.100 0.009 0.000 1.135 302 Y CB -0.470 37.996 38.460 0.010 0.000 0.980 302 Y HN 0.483 nan 8.280 nan 0.000 0.499 303 Q N -0.814 119.011 119.800 0.042 0.000 2.135 303 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 303 Q C 1.859 177.795 176.000 -0.107 0.000 0.981 303 Q CA 2.300 58.050 55.803 -0.088 0.000 0.856 303 Q CB -0.135 28.546 28.738 -0.097 0.000 0.902 303 Q HN 0.492 nan 8.270 nan 0.000 0.425 304 T N 0.336 114.870 114.554 -0.034 0.000 2.857 304 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 304 T C 2.091 176.733 174.700 -0.097 0.000 1.048 304 T CA 1.734 63.803 62.100 -0.050 0.000 1.139 304 T CB -0.328 68.530 68.868 -0.017 0.000 0.874 304 T HN 0.477 nan 8.240 nan 0.000 0.455 305 K N 1.236 121.560 120.400 -0.126 0.000 2.026 305 K HA -0.017 4.303 4.320 -0.000 0.000 0.208 305 K C 2.506 178.983 176.600 -0.205 0.000 1.048 305 K CA 1.597 57.791 56.287 -0.154 0.000 0.929 305 K CB -1.390 31.005 32.500 -0.175 0.000 0.713 305 K HN 0.312 nan 8.250 nan 0.000 0.439 306 V N 0.015 119.735 119.914 -0.323 0.000 2.323 306 V HA -0.108 4.012 4.120 -0.000 0.000 0.244 306 V C 2.215 178.202 176.094 -0.178 0.000 1.041 306 V CA 1.430 63.552 62.300 -0.296 0.000 1.025 306 V CB -0.135 31.409 31.823 -0.466 0.000 0.656 306 V HN 0.431 nan 8.190 nan 0.000 0.451 307 L N 0.234 121.357 121.223 -0.167 0.000 2.609 307 L HA 0.353 4.693 4.340 -0.000 0.000 0.230 307 L C 2.329 179.139 176.870 -0.100 0.000 1.087 307 L CA 1.393 56.160 54.840 -0.123 0.000 0.874 307 L CB -1.090 40.892 42.059 -0.127 0.000 1.114 307 L HN 0.291 nan 8.230 nan 0.000 0.488 308 G N -0.510 108.229 108.800 -0.102 0.000 2.432 308 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 308 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 308 G C 1.144 175.991 174.900 -0.089 0.000 1.135 308 G CA 0.790 45.831 45.100 -0.098 0.000 0.767 308 G HN 0.319 nan 8.290 nan 0.000 0.550 309 D N 0.059 120.414 120.400 -0.076 0.000 2.224 309 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 309 D C 2.137 178.403 176.300 -0.057 0.000 0.965 309 D CA 0.875 54.838 54.000 -0.062 0.000 0.852 309 D CB 0.090 40.860 40.800 -0.051 0.000 0.947 309 D HN 0.325 nan 8.370 nan 0.000 0.494 310 K N -0.740 119.624 120.400 -0.060 0.000 2.440 310 K HA 0.185 4.505 4.320 -0.000 0.000 0.207 310 K C -0.131 176.437 176.600 -0.053 0.000 1.112 310 K CA -0.040 56.216 56.287 -0.051 0.000 1.036 310 K CB 1.854 34.326 32.500 -0.046 0.000 0.935 310 K HN -0.036 nan 8.250 nan 0.000 0.564 311 I N 1.235 121.767 120.570 -0.063 0.000 2.582 311 I HA 0.191 4.361 4.170 -0.000 0.000 0.292 311 I C -0.315 175.759 176.117 -0.071 0.000 1.066 311 I CA -0.754 60.510 61.300 -0.060 0.000 1.053 311 I CB 1.816 39.778 38.000 -0.063 0.000 1.241 311 I HN 0.028 nan 8.210 nan 0.000 0.421 312 Q N 5.425 125.187 119.800 -0.064 0.000 2.296 312 Q HA 0.424 4.764 4.340 -0.000 0.000 0.262 312 Q C -1.533 174.428 176.000 -0.065 0.000 0.981 312 Q CA -0.112 55.646 55.803 -0.074 0.000 0.905 312 Q CB 0.752 29.455 28.738 -0.059 0.000 1.186 312 Q HN 0.539 nan 8.270 nan 0.000 0.399 313 L N 5.162 126.334 121.223 -0.085 0.000 2.318 313 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 313 L C -0.992 175.846 176.870 -0.053 0.000 1.008 313 L CA -0.922 53.887 54.840 -0.052 0.000 0.846 313 L CB 1.547 43.580 42.059 -0.045 0.000 1.220 313 L HN 0.418 nan 8.230 nan 0.000 0.423 314 V N 2.163 122.066 119.914 -0.019 0.000 2.364 314 V HA 0.406 4.526 4.120 -0.000 0.000 0.272 314 V C 0.881 176.964 176.094 -0.018 0.000 1.036 314 V CA -0.525 61.777 62.300 0.003 0.000 0.880 314 V CB 1.324 33.151 31.823 0.007 0.000 0.991 314 V HN 0.810 nan 8.190 nan 0.000 0.460 315 G N 2.468 111.266 108.800 -0.004 0.000 2.349 315 G HA2 0.360 4.320 3.960 -0.000 0.000 0.281 315 G HA3 0.360 4.320 3.960 -0.000 0.000 0.281 315 G C 0.060 174.965 174.900 0.009 0.000 1.182 315 G CA -0.061 44.912 45.100 -0.211 0.000 0.899 315 G HN 0.774 nan 8.290 nan 0.000 0.455 316 D N 1.451 121.827 120.400 -0.040 0.000 2.928 316 D HA -0.072 4.568 4.640 -0.000 0.000 0.265 316 D C 1.627 177.934 176.300 0.012 0.000 1.542 316 D CA 0.214 54.228 54.000 0.024 0.000 1.133 316 D CB -0.021 40.794 40.800 0.024 0.000 1.057 316 D HN 0.281 nan 8.370 nan 0.000 0.331 317 D N -0.612 119.784 120.400 -0.006 0.000 2.221 317 D HA -0.143 4.497 4.640 -0.000 0.000 0.204 317 D C 2.091 178.374 176.300 -0.029 0.000 0.982 317 D CA 0.487 54.488 54.000 0.002 0.000 0.857 317 D CB -0.222 40.579 40.800 0.002 0.000 0.934 317 D HN 0.192 nan 8.370 nan 0.000 0.475 318 L N -0.754 120.374 121.223 -0.159 0.000 2.012 318 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 318 L C 1.517 178.196 176.870 -0.319 0.000 1.073 318 L CA 1.813 56.416 54.840 -0.395 0.000 0.748 318 L CB -0.523 40.941 42.059 -0.991 0.000 0.891 318 L HN 0.029 nan 8.230 nan 0.000 0.431 319 F N -1.293 118.659 119.950 0.004 0.000 2.694 319 F HA 0.242 4.769 4.527 -0.000 0.000 0.292 319 F C 1.371 177.198 175.800 0.045 0.000 1.121 319 F CA 0.371 58.392 58.000 0.035 0.000 1.352 319 F CB -0.539 38.461 39.000 -0.000 0.000 1.107 319 F HN -0.095 nan 8.300 nan 0.000 0.597 320 V N -0.379 119.652 119.914 0.195 0.000 4.931 320 V HA -0.375 3.745 4.120 -0.000 0.000 0.254 320 V C 0.350 176.521 176.094 0.129 0.000 0.620 320 V CA 0.614 62.995 62.300 0.135 0.000 0.715 320 V CB -3.296 28.587 31.823 0.100 0.000 0.589 320 V HN 0.575 nan 8.190 nan 0.000 0.982 321 T N -1.433 113.206 114.554 0.141 0.000 3.996 321 T HA -0.269 4.081 4.350 -0.000 0.000 0.348 321 T C 0.226 174.967 174.700 0.068 0.000 0.757 321 T CA 1.515 63.670 62.100 0.091 0.000 1.898 321 T CB -1.669 67.250 68.868 0.085 0.000 1.861 321 T HN 1.369 nan 8.240 nan 0.000 0.821 322 N N 1.245 119.996 118.700 0.086 0.000 2.444 322 N HA 0.265 5.005 4.740 -0.000 0.000 0.262 322 N C 1.262 176.786 175.510 0.024 0.000 0.974 322 N CA 0.282 53.371 53.050 0.065 0.000 0.933 322 N CB 1.695 40.242 38.487 0.099 0.000 1.137 322 N HN 0.395 nan 8.380 nan 0.000 0.498 323 T N 0.514 115.062 114.554 -0.011 0.000 2.915 323 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 323 T C 1.998 176.675 174.700 -0.039 0.000 1.071 323 T CA 1.697 63.764 62.100 -0.055 0.000 1.132 323 T CB -0.135 68.701 68.868 -0.053 0.000 0.878 323 T HN 0.503 nan 8.240 nan 0.000 0.479 324 K N 1.664 122.064 120.400 0.000 0.000 2.057 324 K HA 0.210 4.530 4.320 -0.000 0.000 0.206 324 K C 2.248 178.883 176.600 0.058 0.000 1.050 324 K CA 1.429 57.725 56.287 0.015 0.000 0.935 324 K CB -1.132 31.377 32.500 0.015 0.000 0.715 324 K HN 0.669 nan 8.250 nan 0.000 0.439 325 I N -0.015 120.624 120.570 0.115 0.000 2.286 325 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 325 I C 2.554 178.858 176.117 0.312 0.000 1.104 325 I CA 0.798 62.263 61.300 0.275 0.000 1.397 325 I CB -0.160 38.062 38.000 0.370 0.000 1.072 325 I HN 0.263 nan 8.210 nan 0.000 0.417 326 L N 1.383 122.610 121.223 0.007 0.000 2.046 326 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 326 L C 2.474 179.192 176.870 -0.253 0.000 1.077 326 L CA 1.927 56.505 54.840 -0.437 0.000 0.747 326 L CB -0.714 40.991 42.059 -0.591 0.000 0.896 326 L HN 0.086 nan 8.230 nan 0.000 0.432 327 K N -0.532 119.793 120.400 -0.125 0.000 2.032 327 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 327 K C 2.186 178.794 176.600 0.014 0.000 1.048 327 K CA 2.032 58.269 56.287 -0.084 0.000 0.927 327 K CB -0.196 32.275 32.500 -0.049 0.000 0.712 327 K HN 0.527 nan 8.250 nan 0.000 0.441 328 E N -0.815 119.463 120.200 0.130 0.000 2.106 328 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 328 E C 1.877 178.732 176.600 0.425 0.000 0.984 328 E CA 1.043 57.593 56.400 0.249 0.000 0.806 328 E CB -0.095 29.739 29.700 0.223 0.000 0.750 328 E HN 0.495 nan 8.360 nan 0.000 0.458 329 G N 1.246 110.315 108.800 0.447 0.000 2.418 329 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 329 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 329 G C 1.577 176.551 174.900 0.123 0.000 1.158 329 G CA 0.727 45.968 45.100 0.236 0.000 0.771 329 G HN 0.205 nan 8.290 nan 0.000 0.545 330 I N 0.587 121.128 120.570 -0.048 0.000 2.226 330 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 330 I C 2.727 178.858 176.117 0.023 0.000 1.100 330 I CA 1.309 62.533 61.300 -0.126 0.000 1.374 330 I CB -0.275 37.511 38.000 -0.358 0.000 1.057 330 I HN 0.226 nan 8.210 nan 0.000 0.413 331 E N 0.781 121.008 120.200 0.045 0.000 2.153 331 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 331 E C 1.656 178.323 176.600 0.111 0.000 0.988 331 E CA 1.032 57.475 56.400 0.072 0.000 0.811 331 E CB 0.015 29.761 29.700 0.077 0.000 0.746 331 E HN 0.447 nan 8.360 nan 0.000 0.466 332 K N -0.581 119.917 120.400 0.164 0.000 2.387 332 K HA 0.125 4.445 4.320 -0.000 0.000 0.198 332 K C 0.489 177.171 176.600 0.137 0.000 1.022 332 K CA 0.411 56.808 56.287 0.183 0.000 1.128 332 K CB 1.130 33.818 32.500 0.313 0.000 0.853 332 K HN 0.176 nan 8.250 nan 0.000 0.523 333 G N 2.471 111.345 108.800 0.122 0.000 2.272 333 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.280 333 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.280 333 G C -0.146 174.794 174.900 0.066 0.000 1.067 333 G CA -0.234 44.929 45.100 0.105 0.000 0.902 333 G HN 0.167 nan 8.290 nan 0.000 0.500 334 I N 0.505 121.105 120.570 0.049 0.000 2.312 334 I HA 0.627 4.797 4.170 -0.000 0.000 0.290 334 I C 1.103 177.186 176.117 -0.056 0.000 1.008 334 I CA 0.270 61.490 61.300 -0.132 0.000 1.226 334 I CB 0.004 37.685 38.000 -0.531 0.000 1.371 334 I HN 1.532 nan 8.210 nan 0.000 0.468 335 A N 6.588 129.318 122.820 -0.148 0.000 6.647 335 A HA -0.252 4.068 4.320 -0.000 0.000 0.236 335 A C 0.412 177.754 177.584 -0.404 0.000 2.220 335 A CA 1.128 53.057 52.037 -0.180 0.000 0.695 335 A CB -1.008 17.872 19.000 -0.201 0.000 0.942 335 A HN 1.091 nan 8.150 nan 0.000 0.371 336 N N -1.553 116.802 118.700 -0.576 0.000 2.193 336 N HA 0.485 5.225 4.740 -0.000 0.000 0.236 336 N C -0.428 174.620 175.510 -0.770 0.000 1.347 336 N CA 0.976 53.334 53.050 -1.154 0.000 0.812 336 N CB 0.789 38.913 38.487 -0.606 0.000 1.297 336 N HN 1.648 nan 8.380 nan 0.000 0.499 337 S N -0.111 115.405 115.700 -0.306 0.000 2.547 337 S HA 0.671 5.141 4.470 -0.000 0.000 0.270 337 S C -2.118 172.583 174.600 0.169 0.000 1.150 337 S CA -0.810 57.379 58.200 -0.018 0.000 0.850 337 S CB 1.000 64.171 63.200 -0.049 0.000 1.118 337 S HN 0.283 nan 8.310 nan 0.000 0.461 338 I N 3.340 123.996 120.570 0.143 0.000 2.569 338 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 338 I C -1.573 174.602 176.117 0.096 0.000 1.088 338 I CA -1.055 60.354 61.300 0.181 0.000 1.047 338 I CB 1.466 39.493 38.000 0.045 0.000 1.237 338 I HN 0.676 nan 8.210 nan 0.000 0.421 339 L N 8.181 129.470 121.223 0.110 0.000 2.367 339 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 339 L C -0.606 176.293 176.870 0.047 0.000 1.129 339 L CA 0.116 54.989 54.840 0.055 0.000 0.839 339 L CB 0.752 42.844 42.059 0.056 0.000 1.133 339 L HN 0.352 nan 8.230 nan 0.000 0.453 340 I N 5.637 126.210 120.570 0.004 0.000 2.330 340 I HA 0.256 4.425 4.170 -0.000 0.000 0.286 340 I C -0.114 175.987 176.117 -0.027 0.000 1.025 340 I CA -0.394 60.904 61.300 -0.004 0.000 1.197 340 I CB 0.763 38.745 38.000 -0.030 0.000 1.358 340 I HN 0.548 nan 8.210 nan 0.000 0.467 341 K N 6.656 127.077 120.400 0.036 0.000 2.404 341 K HA 0.245 4.565 4.320 -0.000 0.000 0.257 341 K C 0.843 177.561 176.600 0.197 0.000 1.026 341 K CA -0.559 55.770 56.287 0.070 0.000 0.951 341 K CB 1.123 33.681 32.500 0.096 0.000 1.203 341 K HN 0.398 nan 8.250 nan 0.000 0.446 342 F N 2.164 122.129 119.950 0.025 0.000 2.365 342 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 342 F C 1.355 177.167 175.800 0.020 0.000 1.090 342 F CA 0.668 58.679 58.000 0.019 0.000 1.408 342 F CB -1.094 37.915 39.000 0.014 0.000 1.060 342 F HN 0.421 nan 8.300 nan 0.000 0.534 343 N N 1.137 120.076 118.700 0.399 0.000 2.494 343 N HA -0.167 4.573 4.740 -0.000 0.000 0.182 343 N C 1.489 177.060 175.510 0.101 0.000 1.076 343 N CA 0.801 53.930 53.050 0.132 0.000 0.908 343 N CB -0.695 37.858 38.487 0.110 0.000 0.967 343 N HN 0.611 nan 8.380 nan 0.000 0.449 344 Q N -0.718 119.158 119.800 0.128 0.000 2.331 344 Q HA 0.139 4.479 4.340 -0.000 0.000 0.203 344 Q C 1.222 177.267 176.000 0.075 0.000 0.944 344 Q CA 0.416 56.274 55.803 0.091 0.000 0.892 344 Q CB 0.148 28.944 28.738 0.097 0.000 0.983 344 Q HN 0.321 nan 8.270 nan 0.000 0.482 345 I N -2.031 118.589 120.570 0.083 0.000 2.947 345 I HA 0.240 4.410 4.170 -0.000 0.000 0.263 345 I C 1.214 177.354 176.117 0.039 0.000 1.130 345 I CA 1.573 62.909 61.300 0.060 0.000 1.448 345 I CB 0.823 38.862 38.000 0.064 0.000 1.222 345 I HN 0.217 nan 8.210 nan 0.000 0.453 346 G N 0.215 109.034 108.800 0.032 0.000 2.192 346 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.193 346 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.193 346 G C 0.323 175.203 174.900 -0.033 0.000 0.999 346 G CA 0.296 45.391 45.100 -0.007 0.000 0.659 346 G HN 0.904 nan 8.290 nan 0.000 0.503 347 S N -1.029 114.660 115.700 -0.018 0.000 2.556 347 S HA 0.702 5.172 4.470 -0.000 0.000 0.271 347 S C 0.631 175.227 174.600 -0.006 0.000 1.135 347 S CA 0.012 58.196 58.200 -0.027 0.000 0.858 347 S CB 1.935 65.132 63.200 -0.005 0.000 1.114 347 S HN 1.125 nan 8.310 nan 0.000 0.468 348 L N 2.203 123.418 121.223 -0.013 0.000 2.046 348 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 348 L C 2.383 179.271 176.870 0.030 0.000 1.077 348 L CA 2.494 57.352 54.840 0.029 0.000 0.747 348 L CB -1.491 40.582 42.059 0.023 0.000 0.896 348 L HN 0.977 nan 8.230 nan 0.000 0.432 349 T N -0.437 114.124 114.554 0.012 0.000 2.684 349 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 349 T C 1.701 176.406 174.700 0.009 0.000 1.036 349 T CA 1.920 64.022 62.100 0.005 0.000 1.148 349 T CB -0.231 68.637 68.868 0.001 0.000 0.863 349 T HN 0.474 nan 8.240 nan 0.000 0.436 350 E N 0.261 120.470 120.200 0.015 0.000 2.150 350 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 350 E C 2.431 179.047 176.600 0.026 0.000 0.985 350 E CA 1.177 57.586 56.400 0.015 0.000 0.814 350 E CB -0.147 29.564 29.700 0.018 0.000 0.752 350 E HN 0.379 nan 8.360 nan 0.000 0.466 351 T N 1.494 116.079 114.554 0.052 0.000 2.737 351 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 351 T C 1.925 176.650 174.700 0.042 0.000 1.038 351 T CA 0.766 62.911 62.100 0.076 0.000 1.144 351 T CB -0.162 68.801 68.868 0.158 0.000 0.866 351 T HN 0.093 nan 8.240 nan 0.000 0.434 352 L N 0.823 122.065 121.223 0.032 0.000 2.079 352 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 352 L C 3.059 179.924 176.870 -0.008 0.000 1.081 352 L CA 1.247 56.093 54.840 0.009 0.000 0.752 352 L CB -0.748 41.310 42.059 -0.001 0.000 0.896 352 L HN 0.249 nan 8.230 nan 0.000 0.433 353 A N 0.145 122.959 122.820 -0.010 0.000 1.902 353 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 353 A C 2.562 180.125 177.584 -0.036 0.000 1.181 353 A CA 1.764 53.787 52.037 -0.023 0.000 0.623 353 A CB -0.674 18.314 19.000 -0.021 0.000 0.818 353 A HN 0.402 nan 8.150 nan 0.000 0.443 354 A N -0.067 122.736 122.820 -0.029 0.000 1.902 354 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 354 A C 2.121 179.671 177.584 -0.056 0.000 1.181 354 A CA 1.562 53.570 52.037 -0.048 0.000 0.623 354 A CB -0.625 18.359 19.000 -0.026 0.000 0.818 354 A HN 0.497 nan 8.150 nan 0.000 0.443 355 I N -0.560 119.990 120.570 -0.033 0.000 2.226 355 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 355 I C 2.556 178.648 176.117 -0.041 0.000 1.100 355 I CA 1.853 63.133 61.300 -0.032 0.000 1.374 355 I CB -0.218 37.772 38.000 -0.017 0.000 1.057 355 I HN 0.369 nan 8.210 nan 0.000 0.413 356 K N 1.038 121.413 120.400 -0.041 0.000 2.026 356 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 356 K C 2.315 178.877 176.600 -0.063 0.000 1.048 356 K CA 1.574 57.834 56.287 -0.045 0.000 0.929 356 K CB -0.115 32.361 32.500 -0.041 0.000 0.713 356 K HN 0.200 nan 8.250 nan 0.000 0.439 357 M N 0.434 119.986 119.600 -0.081 0.000 2.080 357 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 357 M C 2.036 178.246 176.300 -0.150 0.000 1.068 357 M CA 1.932 57.163 55.300 -0.116 0.000 1.109 357 M CB -0.198 32.321 32.600 -0.135 0.000 1.342 357 M HN 0.252 nan 8.290 nan 0.000 0.405 358 A N 1.245 123.981 122.820 -0.141 0.000 1.865 358 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 358 A C 1.996 179.552 177.584 -0.047 0.000 1.191 358 A CA 2.378 54.342 52.037 -0.122 0.000 0.623 358 A CB -0.760 18.202 19.000 -0.062 0.000 0.826 358 A HN 0.701 nan 8.150 nan 0.000 0.444 359 K N -0.345 120.034 120.400 -0.035 0.000 2.063 359 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 359 K C 1.454 178.041 176.600 -0.022 0.000 1.048 359 K CA 1.471 57.748 56.287 -0.017 0.000 0.928 359 K CB -0.444 32.041 32.500 -0.024 0.000 0.713 359 K HN 0.324 nan 8.250 nan 0.000 0.442 360 D N 1.144 121.517 120.400 -0.046 0.000 2.149 360 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 360 D C 1.743 178.015 176.300 -0.048 0.000 0.990 360 D CA 1.445 55.416 54.000 -0.048 0.000 0.839 360 D CB -0.152 40.611 40.800 -0.061 0.000 0.948 360 D HN 0.338 nan 8.370 nan 0.000 0.460 361 A N -0.628 122.146 122.820 -0.076 0.000 2.208 361 A HA 0.404 4.724 4.320 -0.000 0.000 0.209 361 A C 1.836 179.467 177.584 0.078 0.000 1.161 361 A CA 1.124 53.116 52.037 -0.075 0.000 0.782 361 A CB -0.178 18.637 19.000 -0.308 0.000 0.816 361 A HN 0.254 nan 8.150 nan 0.000 0.477 362 G N -2.375 106.474 108.800 0.082 0.000 2.159 362 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.256 362 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.256 362 G C -0.019 174.988 174.900 0.179 0.000 0.977 362 G CA 0.376 45.539 45.100 0.105 0.000 0.652 362 G HN 0.367 nan 8.290 nan 0.000 0.531 363 Y N 1.883 122.145 120.300 -0.064 0.000 2.326 363 Y HA 0.487 5.037 4.550 -0.000 0.000 0.333 363 Y C 1.568 177.430 175.900 -0.063 0.000 1.240 363 Y CA -0.138 57.921 58.100 -0.069 0.000 1.365 363 Y CB 0.743 39.140 38.460 -0.104 0.000 1.289 363 Y HN 0.289 nan 8.280 nan 0.000 0.548 364 T N -0.310 114.277 114.554 0.054 0.000 2.909 364 T HA 0.788 5.137 4.350 -0.000 0.000 0.286 364 T C -0.310 174.404 174.700 0.024 0.000 1.002 364 T CA -0.912 61.196 62.100 0.014 0.000 1.074 364 T CB 1.302 70.154 68.868 -0.026 0.000 0.984 364 T HN 0.764 nan 8.240 nan 0.000 0.495 365 A N 2.330 125.151 122.820 0.002 0.000 2.288 365 A HA 0.661 4.981 4.320 -0.000 0.000 0.320 365 A C -0.394 177.176 177.584 -0.023 0.000 1.217 365 A CA -0.828 51.205 52.037 -0.007 0.000 0.840 365 A CB 0.887 19.877 19.000 -0.017 0.000 1.179 365 A HN 0.824 nan 8.150 nan 0.000 0.504 366 V N 5.042 124.941 119.914 -0.024 0.000 2.334 366 V HA 0.218 4.338 4.120 -0.000 0.000 0.281 366 V C -0.222 175.834 176.094 -0.064 0.000 1.016 366 V CA -0.603 61.671 62.300 -0.043 0.000 0.832 366 V CB 0.989 32.791 31.823 -0.035 0.000 0.999 366 V HN 0.706 nan 8.190 nan 0.000 0.439 367 I N 3.834 124.350 120.570 -0.091 0.000 2.533 367 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 367 I C 0.670 176.685 176.117 -0.170 0.000 1.109 367 I CA 0.892 62.108 61.300 -0.139 0.000 1.412 367 I CB 0.892 38.797 38.000 -0.157 0.000 1.396 367 I HN 0.606 nan 8.210 nan 0.000 0.543 368 S N 6.158 121.753 115.700 -0.175 0.000 2.532 368 S HA 0.442 4.912 4.470 -0.000 0.000 0.301 368 S C -0.099 174.443 174.600 -0.096 0.000 1.083 368 S CA -0.683 57.434 58.200 -0.138 0.000 1.025 368 S CB 0.840 64.021 63.200 -0.032 0.000 1.056 368 S HN 0.762 nan 8.310 nan 0.000 0.494 369 H N 2.281 121.279 119.070 -0.120 0.000 2.598 369 H HA 0.586 5.142 4.556 -0.000 0.000 0.371 369 H C -0.110 175.197 175.328 -0.035 0.000 1.468 369 H CA -1.021 54.974 56.048 -0.090 0.000 1.454 369 H CB 0.407 30.120 29.762 -0.082 0.000 1.579 369 H HN 0.318 nan 8.280 nan 0.000 0.611 370 R N -0.288 120.237 120.500 0.041 0.000 2.902 370 R HA 0.213 4.553 4.340 -0.000 0.000 0.258 370 R C 1.101 177.246 176.300 -0.258 0.000 1.071 370 R CA -0.888 55.175 56.100 -0.060 0.000 1.024 370 R CB 1.474 31.782 30.300 0.013 0.000 1.184 370 R HN 0.729 nan 8.270 nan 0.000 0.492 371 S N 0.104 115.688 115.700 -0.193 0.000 2.368 371 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 371 S C 1.052 175.554 174.600 -0.163 0.000 1.030 371 S CA 1.589 59.657 58.200 -0.220 0.000 0.999 371 S CB -0.117 62.983 63.200 -0.166 0.000 0.844 371 S HN 0.706 nan 8.310 nan 0.000 0.459 372 G N 2.075 110.814 108.800 -0.101 0.000 2.356 372 G HA2 0.500 4.460 3.960 -0.000 0.000 0.312 372 G HA3 0.500 4.460 3.960 -0.000 0.000 0.312 372 G C -0.400 174.470 174.900 -0.050 0.000 1.096 372 G CA -0.357 44.702 45.100 -0.069 0.000 0.950 372 G HN 0.053 nan 8.290 nan 0.000 0.428 373 E N 0.406 120.577 120.200 -0.049 0.000 2.370 373 E HA 0.644 4.994 4.350 -0.000 0.000 0.259 373 E C 0.266 176.859 176.600 -0.011 0.000 0.947 373 E CA -0.488 55.901 56.400 -0.020 0.000 0.809 373 E CB 2.194 31.878 29.700 -0.027 0.000 1.300 373 E HN 0.583 nan 8.360 nan 0.000 0.419 374 T N -2.678 111.879 114.554 0.005 0.000 2.773 374 T HA 0.206 4.556 4.350 -0.000 0.000 0.278 374 T C 0.931 175.634 174.700 0.006 0.000 1.011 374 T CA -0.628 61.474 62.100 0.003 0.000 1.014 374 T CB 0.913 69.784 68.868 0.005 0.000 1.293 374 T HN 0.389 nan 8.240 nan 0.000 0.554 375 E N 0.475 120.679 120.200 0.006 0.000 2.333 375 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 375 E C 0.412 177.019 176.600 0.013 0.000 1.007 375 E CA 0.415 56.820 56.400 0.007 0.000 0.845 375 E CB -0.711 28.995 29.700 0.009 0.000 0.766 375 E HN 0.781 nan 8.360 nan 0.000 0.507 376 D N 0.964 121.377 120.400 0.022 0.000 2.525 376 D HA 0.019 4.659 4.640 -0.000 0.000 0.235 376 D C -0.287 176.037 176.300 0.040 0.000 1.137 376 D CA 0.785 54.808 54.000 0.038 0.000 0.868 376 D CB 0.701 41.534 40.800 0.055 0.000 1.180 376 D HN 0.160 nan 8.370 nan 0.000 0.465 377 A N 3.206 126.050 122.820 0.041 0.000 2.631 377 A HA 0.151 4.471 4.320 -0.000 0.000 0.294 377 A C 1.560 179.171 177.584 0.046 0.000 1.156 377 A CA -0.357 51.693 52.037 0.021 0.000 0.963 377 A CB 0.235 19.236 19.000 0.002 0.000 1.202 377 A HN 0.615 nan 8.150 nan 0.000 0.523 378 T N 1.235 115.853 114.554 0.107 0.000 2.737 378 T HA -0.215 4.135 4.350 -0.000 0.000 0.269 378 T C 1.841 176.608 174.700 0.111 0.000 1.040 378 T CA 1.974 64.171 62.100 0.161 0.000 1.142 378 T CB -0.692 68.349 68.868 0.287 0.000 0.861 378 T HN 0.782 nan 8.240 nan 0.000 0.456 379 I N 0.233 120.803 120.570 0.000 0.000 2.454 379 I HA 0.006 4.176 4.170 -0.000 0.000 0.254 379 I C 2.641 178.696 176.117 -0.104 0.000 1.156 379 I CA 1.108 62.304 61.300 -0.174 0.000 1.433 379 I CB -0.665 37.126 38.000 -0.347 0.000 1.082 379 I HN 0.121 nan 8.210 nan 0.000 0.432 380 A N 2.058 124.840 122.820 -0.063 0.000 1.855 380 A HA -0.223 4.097 4.320 -0.000 0.000 0.215 380 A C 1.829 179.411 177.584 -0.003 0.000 1.191 380 A CA 2.289 54.295 52.037 -0.051 0.000 0.613 380 A CB -1.016 17.955 19.000 -0.049 0.000 0.829 380 A HN 0.497 nan 8.150 nan 0.000 0.442 381 D N -0.539 119.894 120.400 0.056 0.000 2.123 381 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 381 D C 1.783 178.155 176.300 0.121 0.000 0.992 381 D CA 1.320 55.400 54.000 0.134 0.000 0.833 381 D CB -0.206 40.702 40.800 0.180 0.000 0.954 381 D HN 0.342 nan 8.370 nan 0.000 0.455 382 L N 0.679 121.950 121.223 0.080 0.000 2.017 382 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 382 L C 2.035 178.924 176.870 0.032 0.000 1.073 382 L CA 1.845 56.723 54.840 0.063 0.000 0.745 382 L CB -0.825 41.254 42.059 0.033 0.000 0.894 382 L HN 0.033 nan 8.230 nan 0.000 0.432 383 A N -1.205 121.610 122.820 -0.009 0.000 1.902 383 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 383 A C 2.236 179.831 177.584 0.018 0.000 1.181 383 A CA 2.036 54.062 52.037 -0.018 0.000 0.623 383 A CB -1.065 17.906 19.000 -0.048 0.000 0.818 383 A HN 0.328 nan 8.150 nan 0.000 0.443 384 V N -0.280 119.650 119.914 0.026 0.000 2.323 384 V HA -0.116 4.004 4.120 -0.000 0.000 0.244 384 V C 2.763 178.972 176.094 0.192 0.000 1.041 384 V CA 1.887 64.211 62.300 0.041 0.000 1.025 384 V CB -1.375 30.381 31.823 -0.113 0.000 0.656 384 V HN 0.594 nan 8.190 nan 0.000 0.451 385 G N -0.094 108.842 108.800 0.228 0.000 2.509 385 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 385 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 385 G C 1.471 176.471 174.900 0.167 0.000 1.124 385 G CA 1.404 46.690 45.100 0.311 0.000 0.776 385 G HN 0.601 nan 8.290 nan 0.000 0.547 386 T N -3.437 111.178 114.554 0.101 0.000 3.054 386 T HA 0.510 4.860 4.350 -0.000 0.000 0.255 386 T C 1.429 176.146 174.700 0.029 0.000 1.035 386 T CA 0.904 63.030 62.100 0.043 0.000 0.941 386 T CB 0.245 69.126 68.868 0.022 0.000 1.026 386 T HN 1.221 nan 8.240 nan 0.000 0.533 387 A N 0.726 123.580 122.820 0.057 0.000 2.640 387 A HA -0.072 4.248 4.320 -0.000 0.000 0.300 387 A C 1.855 179.440 177.584 0.001 0.000 1.499 387 A CA 1.006 53.064 52.037 0.035 0.000 0.759 387 A CB -2.237 16.776 19.000 0.021 0.000 1.048 387 A HN 1.349 nan 8.150 nan 0.000 0.450 388 A N -1.009 121.808 122.820 -0.004 0.000 1.902 388 A HA 0.347 4.667 4.320 -0.000 0.000 0.217 388 A C 2.823 180.386 177.584 -0.034 0.000 1.181 388 A CA 2.481 54.506 52.037 -0.021 0.000 0.623 388 A CB -0.590 18.393 19.000 -0.028 0.000 0.818 388 A HN 2.792 nan 8.150 nan 0.000 0.443 389 G N -2.773 106.002 108.800 -0.041 0.000 2.259 389 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 389 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 389 G C 0.099 174.948 174.900 -0.084 0.000 1.001 389 G CA 0.341 45.400 45.100 -0.069 0.000 0.627 389 G HN 0.713 nan 8.290 nan 0.000 0.501 390 Q N -0.604 119.158 119.800 -0.063 0.000 2.418 390 Q HA 0.780 5.120 4.340 -0.000 0.000 0.282 390 Q C -1.327 174.638 176.000 -0.059 0.000 1.044 390 Q CA -0.703 55.064 55.803 -0.060 0.000 0.813 390 Q CB 3.073 31.777 28.738 -0.057 0.000 1.428 390 Q HN 0.414 nan 8.270 nan 0.000 0.402 391 I N 0.699 121.236 120.570 -0.055 0.000 2.802 391 I HA 0.434 4.604 4.170 -0.000 0.000 0.298 391 I C -1.800 174.252 176.117 -0.108 0.000 1.176 391 I CA -0.559 60.687 61.300 -0.091 0.000 1.025 391 I CB 1.945 39.891 38.000 -0.090 0.000 1.243 391 I HN 0.473 nan 8.210 nan 0.000 0.424 392 K N 4.605 124.888 120.400 -0.196 0.000 2.575 392 K HA 0.356 4.676 4.320 -0.000 0.000 0.236 392 K C -0.718 175.516 176.600 -0.610 0.000 0.976 392 K CA -0.197 55.913 56.287 -0.295 0.000 0.985 392 K CB 1.280 33.632 32.500 -0.247 0.000 1.198 392 K HN 0.660 nan 8.250 nan 0.000 0.464 393 T N 1.627 115.879 114.554 -0.504 0.000 3.332 393 T HA 0.369 4.719 4.350 -0.000 0.000 0.304 393 T C -0.110 174.495 174.700 -0.159 0.000 0.971 393 T CA 0.391 62.200 62.100 -0.485 0.000 0.954 393 T CB 0.180 68.792 68.868 -0.426 0.000 1.175 393 T HN 0.895 nan 8.240 nan 0.000 0.519 394 G N 0.614 109.387 108.800 -0.045 0.000 2.381 394 G HA2 0.163 4.123 3.960 -0.000 0.000 0.672 394 G HA3 0.163 4.123 3.960 -0.000 0.000 0.672 394 G C -0.384 174.617 174.900 0.169 0.000 1.324 394 G CA -0.241 44.973 45.100 0.189 0.000 0.975 394 G HN 0.333 nan 8.290 nan 0.000 0.593 395 S N -1.571 114.167 115.700 0.063 0.000 2.625 395 S HA 0.492 4.962 4.470 -0.000 0.000 0.258 395 S C 1.198 175.667 174.600 -0.219 0.000 1.256 395 S CA 0.477 58.622 58.200 -0.093 0.000 0.983 395 S CB 0.653 63.757 63.200 -0.159 0.000 1.032 395 S HN 1.041 nan 8.310 nan 0.000 0.572 396 M N 2.620 121.830 119.600 -0.651 0.000 3.029 396 M HA 0.333 4.813 4.480 -0.000 0.000 0.267 396 M C -0.456 175.321 176.300 -0.872 0.000 1.270 396 M CA -0.107 54.779 55.300 -0.690 0.000 1.101 396 M CB -1.014 31.193 32.600 -0.656 0.000 1.266 396 M HN 0.531 nan 8.290 nan 0.000 0.503 397 S N -0.456 114.880 115.700 -0.607 0.000 2.596 397 S HA 0.885 5.355 4.470 -0.000 0.000 0.270 397 S C -0.969 173.555 174.600 -0.127 0.000 1.155 397 S CA -1.033 56.975 58.200 -0.320 0.000 0.827 397 S CB 1.653 64.717 63.200 -0.227 0.000 1.130 397 S HN 0.490 nan 8.310 nan 0.000 0.467 398 R N 0.296 120.768 120.500 -0.045 0.000 1.181 398 R HA -0.083 4.257 4.340 -0.000 0.000 0.422 398 R C 0.287 176.583 176.300 -0.007 0.000 1.335 398 R CA 0.512 56.604 56.100 -0.014 0.000 1.047 398 R CB -1.743 28.546 30.300 -0.017 0.000 3.189 398 R HN 0.789 nan 8.270 nan 0.000 0.504 399 S N 1.423 117.125 115.700 0.004 0.000 2.474 399 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 399 S C 1.366 175.965 174.600 -0.002 0.000 0.997 399 S CA 1.322 59.527 58.200 0.008 0.000 0.949 399 S CB -0.131 63.077 63.200 0.013 0.000 0.766 399 S HN 0.760 nan 8.310 nan 0.000 0.517 400 D N 1.269 121.665 120.400 -0.007 0.000 2.263 400 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 400 D C 1.673 177.960 176.300 -0.022 0.000 0.971 400 D CA 0.746 54.738 54.000 -0.014 0.000 0.867 400 D CB -0.023 40.765 40.800 -0.020 0.000 0.929 400 D HN 0.294 nan 8.370 nan 0.000 0.492 401 R N 0.562 121.051 120.500 -0.018 0.000 2.087 401 R HA 0.142 4.482 4.340 -0.000 0.000 0.213 401 R C 2.708 178.965 176.300 -0.072 0.000 1.137 401 R CA 0.197 56.275 56.100 -0.038 0.000 1.022 401 R CB -1.111 29.208 30.300 0.032 0.000 0.920 401 R HN 0.126 nan 8.270 nan 0.000 0.451 402 V N 2.321 122.259 119.914 0.041 0.000 2.594 402 V HA -0.145 3.975 4.120 -0.000 0.000 0.253 402 V C 2.489 178.616 176.094 0.055 0.000 1.069 402 V CA 1.678 64.058 62.300 0.132 0.000 1.082 402 V CB -0.930 30.944 31.823 0.086 0.000 0.680 402 V HN 0.290 nan 8.190 nan 0.000 0.469 403 A N 0.014 122.835 122.820 0.000 0.000 1.978 403 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 403 A C 2.237 179.796 177.584 -0.041 0.000 1.170 403 A CA 2.105 54.137 52.037 -0.008 0.000 0.636 403 A CB -0.391 18.604 19.000 -0.007 0.000 0.810 403 A HN 0.489 nan 8.150 nan 0.000 0.448 404 K N -1.156 119.166 120.400 -0.131 0.000 2.062 404 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 404 K C 1.654 178.141 176.600 -0.188 0.000 1.051 404 K CA 1.386 57.549 56.287 -0.205 0.000 0.941 404 K CB -0.543 31.748 32.500 -0.348 0.000 0.719 404 K HN 0.568 nan 8.250 nan 0.000 0.440 405 Y N 1.497 121.777 120.300 -0.035 0.000 2.181 405 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 405 Y C 1.878 177.757 175.900 -0.035 0.000 1.146 405 Y CA 1.054 59.129 58.100 -0.042 0.000 1.164 405 Y CB -0.655 37.773 38.460 -0.054 0.000 0.982 405 Y HN 0.123 nan 8.280 nan 0.000 0.515 406 N N 0.001 118.768 118.700 0.113 0.000 2.120 406 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 406 N C 1.898 177.427 175.510 0.031 0.000 1.024 406 N CA 1.417 54.502 53.050 0.059 0.000 0.852 406 N CB -0.555 37.959 38.487 0.044 0.000 1.003 406 N HN 0.354 nan 8.380 nan 0.000 0.424 407 Q N 0.919 120.728 119.800 0.016 0.000 2.084 407 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 407 Q C 2.042 178.037 176.000 -0.008 0.000 0.978 407 Q CA 1.108 56.916 55.803 0.008 0.000 0.844 407 Q CB -0.383 28.358 28.738 0.005 0.000 0.898 407 Q HN 0.379 nan 8.270 nan 0.000 0.426 408 L N -0.342 120.877 121.223 -0.008 0.000 2.042 408 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 408 L C 2.350 179.203 176.870 -0.028 0.000 1.076 408 L CA 1.174 56.002 54.840 -0.020 0.000 0.749 408 L CB -0.515 41.563 42.059 0.031 0.000 0.893 408 L HN 0.299 nan 8.230 nan 0.000 0.432 409 I N -0.496 120.074 120.570 0.000 0.000 2.163 409 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 409 I C 2.787 178.888 176.117 -0.027 0.000 1.085 409 I CA 1.400 62.692 61.300 -0.014 0.000 1.347 409 I CB -0.323 37.678 38.000 0.002 0.000 1.044 409 I HN 0.217 nan 8.210 nan 0.000 0.408 410 R N 0.523 121.014 120.500 -0.015 0.000 2.081 410 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 410 R C 2.306 178.583 176.300 -0.038 0.000 1.131 410 R CA 1.380 57.475 56.100 -0.008 0.000 0.960 410 R CB -0.382 29.930 30.300 0.019 0.000 0.856 410 R HN 0.371 nan 8.270 nan 0.000 0.436 411 I N 0.555 121.066 120.570 -0.098 0.000 2.202 411 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 411 I C 2.588 178.538 176.117 -0.278 0.000 1.091 411 I CA 1.279 62.411 61.300 -0.281 0.000 1.368 411 I CB -0.271 37.455 38.000 -0.457 0.000 1.058 411 I HN 0.237 nan 8.210 nan 0.000 0.410 412 E N 0.992 121.085 120.200 -0.179 0.000 2.110 412 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 412 E C 2.102 178.650 176.600 -0.086 0.000 0.988 412 E CA 1.262 57.586 56.400 -0.128 0.000 0.804 412 E CB 0.010 29.662 29.700 -0.080 0.000 0.745 412 E HN 0.425 nan 8.360 nan 0.000 0.458 413 E N -0.166 119.997 120.200 -0.063 0.000 2.058 413 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 413 E C 1.856 178.441 176.600 -0.024 0.000 0.997 413 E CA 1.236 57.616 56.400 -0.033 0.000 0.801 413 E CB -0.129 29.561 29.700 -0.018 0.000 0.746 413 E HN 0.331 nan 8.360 nan 0.000 0.450 414 A N 0.521 123.324 122.820 -0.028 0.000 1.898 414 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 414 A C 2.144 179.722 177.584 -0.011 0.000 1.183 414 A CA 0.772 52.812 52.037 0.005 0.000 0.622 414 A CB -0.329 18.710 19.000 0.066 0.000 0.824 414 A HN 0.285 nan 8.150 nan 0.000 0.444 415 L N -1.590 119.585 121.223 -0.080 0.000 2.162 415 L HA 0.175 4.515 4.340 -0.000 0.000 0.205 415 L C 2.059 178.914 176.870 -0.026 0.000 1.086 415 L CA 0.535 55.327 54.840 -0.080 0.000 0.778 415 L CB -0.864 41.051 42.059 -0.240 0.000 0.928 415 L HN 0.616 nan 8.230 nan 0.000 0.446 416 G N 0.681 109.460 108.800 -0.035 0.000 2.651 416 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.315 416 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.315 416 G C 0.941 175.847 174.900 0.010 0.000 1.258 416 G CA 1.114 46.209 45.100 -0.009 0.000 1.002 416 G HN 0.350 nan 8.290 nan 0.000 0.551 417 E N 0.428 120.643 120.200 0.025 0.000 2.333 417 E HA -0.052 4.298 4.350 -0.000 0.000 0.198 417 E C 2.261 178.896 176.600 0.058 0.000 1.007 417 E CA 2.058 58.480 56.400 0.038 0.000 0.845 417 E CB -0.577 29.143 29.700 0.033 0.000 0.766 417 E HN 0.763 nan 8.360 nan 0.000 0.507 418 K N -0.625 119.820 120.400 0.076 0.000 2.283 418 K HA 0.142 4.462 4.320 -0.000 0.000 0.202 418 K C 0.928 177.642 176.600 0.189 0.000 1.048 418 K CA 0.755 57.130 56.287 0.145 0.000 0.948 418 K CB 0.223 32.845 32.500 0.203 0.000 0.742 418 K HN 0.342 nan 8.250 nan 0.000 0.458 419 A N 2.791 125.669 122.820 0.097 0.000 2.842 419 A HA 0.282 4.602 4.320 -0.000 0.000 0.339 419 A C -2.605 175.017 177.584 0.064 0.000 1.177 419 A CA -1.556 50.530 52.037 0.082 0.000 0.797 419 A CB 0.286 19.259 19.000 -0.045 0.000 1.094 419 A HN -0.094 nan 8.150 nan 0.000 0.474 420 P HA 0.012 nan 4.420 nan 0.000 0.269 420 P C -0.951 176.408 177.300 0.099 0.000 1.209 420 P CA 0.248 63.393 63.100 0.075 0.000 0.776 420 P CB 0.473 32.202 31.700 0.049 0.000 0.876 421 Y N 3.158 123.453 120.300 -0.008 0.000 2.454 421 Y HA 0.203 4.753 4.550 -0.000 0.000 0.345 421 Y C 1.180 177.074 175.900 -0.010 0.000 0.970 421 Y CA -0.076 58.016 58.100 -0.013 0.000 1.204 421 Y CB 0.126 38.575 38.460 -0.018 0.000 1.122 421 Y HN 0.244 nan 8.280 nan 0.000 0.514 422 N N 4.180 122.719 118.700 -0.268 0.000 2.412 422 N HA 0.110 4.850 4.740 -0.000 0.000 0.184 422 N C 1.127 176.507 175.510 -0.216 0.000 1.101 422 N CA 0.879 53.826 53.050 -0.172 0.000 0.881 422 N CB 0.267 38.674 38.487 -0.133 0.000 0.969 422 N HN 1.021 nan 8.380 nan 0.000 0.459 423 G N 1.808 110.321 108.800 -0.478 0.000 2.566 423 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.280 423 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.280 423 G C 0.783 175.577 174.900 -0.177 0.000 1.225 423 G CA 0.466 45.400 45.100 -0.275 0.000 0.966 423 G HN 0.311 nan 8.290 nan 0.000 0.560 424 R N 1.280 121.735 120.500 -0.074 0.000 2.133 424 R HA -0.186 4.154 4.340 -0.000 0.000 0.247 424 R C 2.735 178.996 176.300 -0.065 0.000 1.151 424 R CA 2.471 58.538 56.100 -0.054 0.000 0.971 424 R CB -0.477 29.809 30.300 -0.023 0.000 0.866 424 R HN 0.712 nan 8.270 nan 0.000 0.447 425 K N -0.199 120.161 120.400 -0.067 0.000 2.442 425 K HA -0.091 4.229 4.320 -0.000 0.000 0.198 425 K C 1.270 177.827 176.600 -0.071 0.000 1.044 425 K CA 1.191 57.442 56.287 -0.059 0.000 0.948 425 K CB 0.067 32.538 32.500 -0.049 0.000 0.762 425 K HN 0.150 nan 8.250 nan 0.000 0.472 426 E N 1.254 121.394 120.200 -0.099 0.000 2.153 426 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 426 E C 0.718 177.272 176.600 -0.076 0.000 0.988 426 E CA 0.636 56.977 56.400 -0.098 0.000 0.811 426 E CB -0.180 29.436 29.700 -0.140 0.000 0.746 426 E HN 0.464 nan 8.360 nan 0.000 0.466 427 I N 2.222 122.750 120.570 -0.071 0.000 2.496 427 I HA -0.008 4.162 4.170 -0.000 0.000 0.285 427 I C 0.649 176.732 176.117 -0.057 0.000 1.080 427 I CA -0.473 60.792 61.300 -0.059 0.000 1.404 427 I CB 0.423 38.393 38.000 -0.049 0.000 1.403 427 I HN -0.284 nan 8.210 nan 0.000 0.539 428 K N 4.664 125.027 120.400 -0.062 0.000 2.416 428 K HA 0.287 4.607 4.320 -0.000 0.000 0.283 428 K C 0.785 177.344 176.600 -0.069 0.000 1.037 428 K CA 1.080 57.323 56.287 -0.073 0.000 0.995 428 K CB 0.205 32.644 32.500 -0.102 0.000 0.938 428 K HN 0.808 nan 8.250 nan 0.000 0.475 429 G N 2.565 111.327 108.800 -0.063 0.000 2.232 429 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 429 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 429 G C -0.099 174.774 174.900 -0.044 0.000 0.996 429 G CA -0.068 44.999 45.100 -0.056 0.000 0.626 429 G HN 0.552 nan 8.290 nan 0.000 0.509 430 Q N 0.000 119.775 119.800 -0.042 0.000 2.315 430 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 430 Q CA 0.000 55.782 55.803 -0.036 0.000 1.022 430 Q CB 0.000 28.717 28.738 -0.035 0.000 1.108 430 Q HN 0.000 nan 8.270 nan 0.000 0.481