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 2o56_1_G DATA FIRST_RESID 1 DATA SEQUENCE LMKITSVDII DVANDFXXXX XKWRPVVVKI NTDEGISGFG EVGLAYGVGA DATA SEQUENCE SAGIGMAKDL SAIIIGMDPM NNEAIWEKML KKTFWGQGGG GIFSAAMSGI DATA SEQUENCE DIALWDIKGK AWGVPLYKML GGKSREKIRT YASQLQFGWG DGSDXDMLTE DATA SEQUENCE PEQYAQAALT AVSEGYDAIK VDTVAMDRHG NWNQQNLNGP LTDKILRLGY DATA SEQUENCE DRMAAIRDAV GPDVDIIAEM HAFTDTTSAI QFGRMIEELG IFYYEEPVMP DATA SEQUENCE LNPAQMKQVA DKVNIPLAAG ERIYWRWGYR PFLENGSLSV IQPDICTCGG DATA SEQUENCE ITEVKKICDM AHVYDKTVQI HVCGGPISTA VALHMETAIP NFVIHELHRY DATA SEQUENCE ALLEPNTQTC KYNYLPKNGM YEVPELPGIG QELTEETMKK SPTITVK 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.872 176.870 0.003 0.000 1.165 1 L CA 0.000 54.846 54.840 0.010 0.000 0.813 1 L CB 0.000 42.063 42.059 0.006 0.000 0.961 2 M N -0.014 119.586 119.600 -0.001 0.000 2.198 2 M HA 0.600 5.080 4.480 -0.000 0.000 0.315 2 M C -0.488 175.801 176.300 -0.018 0.000 1.134 2 M CA 0.203 55.496 55.300 -0.011 0.000 1.171 2 M CB 0.588 33.177 32.600 -0.018 0.000 1.413 2 M HN 0.673 nan 8.290 nan 0.000 0.467 3 K N 1.324 121.712 120.400 -0.021 0.000 2.464 3 K HA 0.586 4.906 4.320 -0.000 0.000 0.253 3 K C -1.375 175.207 176.600 -0.030 0.000 0.933 3 K CA -0.638 55.635 56.287 -0.024 0.000 0.801 3 K CB 2.554 35.043 32.500 -0.018 0.000 1.271 3 K HN 0.664 nan 8.250 nan 0.000 0.430 4 I N 2.597 123.146 120.570 -0.035 0.000 2.533 4 I HA -0.039 4.131 4.170 -0.000 0.000 0.284 4 I C 1.446 177.542 176.117 -0.035 0.000 1.109 4 I CA 0.391 61.667 61.300 -0.040 0.000 1.412 4 I CB 1.005 38.978 38.000 -0.045 0.000 1.396 4 I HN 0.839 nan 8.210 nan 0.000 0.543 5 T N 0.127 114.659 114.554 -0.037 0.000 3.018 5 T HA 0.178 4.528 4.350 -0.000 0.000 0.246 5 T C 0.510 175.190 174.700 -0.034 0.000 1.026 5 T CA 0.247 62.329 62.100 -0.031 0.000 1.081 5 T CB 0.285 69.137 68.868 -0.026 0.000 0.970 5 T HN 0.639 nan 8.240 nan 0.000 0.475 6 S N -0.261 115.413 115.700 -0.043 0.000 2.588 6 S HA 0.692 5.162 4.470 -0.000 0.000 0.269 6 S C -1.730 172.832 174.600 -0.062 0.000 1.157 6 S CA -0.815 57.357 58.200 -0.047 0.000 0.824 6 S CB 2.005 65.179 63.200 -0.042 0.000 1.126 6 S HN 0.226 nan 8.310 nan 0.000 0.464 7 V N 1.816 121.692 119.914 -0.063 0.000 2.638 7 V HA 0.522 4.642 4.120 -0.000 0.000 0.306 7 V C -1.308 174.742 176.094 -0.074 0.000 1.052 7 V CA -0.671 61.582 62.300 -0.078 0.000 0.885 7 V CB 1.880 33.660 31.823 -0.072 0.000 0.999 7 V HN 0.971 nan 8.190 nan 0.000 0.424 8 D N 4.471 124.817 120.400 -0.090 0.000 2.193 8 D HA 0.564 5.204 4.640 -0.000 0.000 0.244 8 D C -0.747 175.512 176.300 -0.068 0.000 1.064 8 D CA -0.155 53.801 54.000 -0.073 0.000 0.845 8 D CB 2.788 43.544 40.800 -0.074 0.000 1.148 8 D HN 0.256 nan 8.370 nan 0.000 0.464 9 I N 2.711 123.250 120.570 -0.051 0.000 2.382 9 I HA 0.292 4.462 4.170 -0.000 0.000 0.285 9 I C -0.078 176.019 176.117 -0.034 0.000 1.007 9 I CA -0.312 60.960 61.300 -0.046 0.000 1.142 9 I CB 1.284 39.253 38.000 -0.052 0.000 1.289 9 I HN 0.152 nan 8.210 nan 0.000 0.453 10 I N 5.005 125.562 120.570 -0.022 0.000 2.389 10 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 10 I C -0.477 175.632 176.117 -0.013 0.000 0.999 10 I CA -0.567 60.730 61.300 -0.005 0.000 1.129 10 I CB 1.596 39.612 38.000 0.027 0.000 1.288 10 I HN 0.432 nan 8.210 nan 0.000 0.444 11 D N 6.987 127.376 120.400 -0.019 0.000 2.468 11 D HA 0.160 4.800 4.640 -0.000 0.000 0.218 11 D C -0.356 175.932 176.300 -0.020 0.000 1.155 11 D CA -0.259 53.720 54.000 -0.035 0.000 0.924 11 D CB 0.851 41.629 40.800 -0.037 0.000 1.029 11 D HN 0.081 nan 8.370 nan 0.000 0.515 12 V N 3.244 123.145 119.914 -0.022 0.000 2.450 12 V HA 0.237 4.357 4.120 -0.000 0.000 0.281 12 V C 0.910 177.019 176.094 0.025 0.000 1.019 12 V CA -0.450 61.858 62.300 0.013 0.000 1.062 12 V CB 0.378 32.216 31.823 0.026 0.000 0.979 12 V HN 0.665 nan 8.190 nan 0.000 0.477 13 A N 5.741 128.586 122.820 0.043 0.000 2.376 13 A HA 0.566 4.886 4.320 -0.000 0.000 0.298 13 A C 0.392 178.029 177.584 0.089 0.000 1.271 13 A CA -0.373 51.698 52.037 0.056 0.000 0.926 13 A CB -0.314 18.712 19.000 0.044 0.000 1.141 13 A HN 1.059 nan 8.150 nan 0.000 0.539 14 N N 0.646 119.424 118.700 0.130 0.000 3.427 14 N HA 0.573 5.313 4.740 -0.000 0.000 0.364 14 N C 0.159 175.783 175.510 0.190 0.000 1.538 14 N CA -0.027 53.129 53.050 0.176 0.000 0.662 14 N CB 0.506 39.164 38.487 0.284 0.000 1.881 14 N HN 0.251 nan 8.380 nan 0.000 0.634 15 D N -1.865 118.693 120.400 0.263 0.000 2.422 15 D HA 0.156 4.796 4.640 -0.000 0.000 0.218 15 D C -0.100 176.283 176.300 0.138 0.000 1.047 15 D CA 0.035 54.130 54.000 0.158 0.000 0.885 15 D CB -0.030 40.826 40.800 0.093 0.000 1.035 15 D HN 0.314 nan 8.370 nan 0.000 0.502 23 W N 1.754 122.781 121.300 -0.456 0.000 2.361 23 W HA 0.456 5.116 4.660 -0.000 0.000 0.314 23 W C -1.028 175.276 176.519 -0.358 0.000 1.041 23 W CA -0.657 56.298 57.345 -0.650 0.000 1.241 23 W CB 1.364 29.860 29.460 -1.606 0.000 1.279 23 W HN 0.511 nan 8.180 nan 0.000 0.436 24 R N 6.436 126.510 120.500 -0.710 0.000 2.644 24 R HA 0.201 4.541 4.340 -0.000 0.000 0.271 24 R C -2.454 173.493 176.300 -0.589 0.000 1.687 24 R CA -1.485 54.315 56.100 -0.499 0.000 1.655 24 R CB 1.384 31.515 30.300 -0.282 0.000 1.285 24 R HN 0.169 nan 8.270 nan 0.000 0.643 25 P HA 0.066 nan 4.420 nan 0.000 0.271 25 P C -0.375 176.797 177.300 -0.213 0.000 1.216 25 P CA -0.031 62.805 63.100 -0.440 0.000 0.771 25 P CB 1.518 33.040 31.700 -0.296 0.000 0.864 26 V N 4.367 124.192 119.914 -0.149 0.000 2.588 26 V HA 0.321 4.441 4.120 -0.000 0.000 0.304 26 V C 0.155 176.233 176.094 -0.027 0.000 1.042 26 V CA -0.728 61.521 62.300 -0.085 0.000 0.877 26 V CB 2.457 34.220 31.823 -0.101 0.000 0.996 26 V HN 0.274 nan 8.190 nan 0.000 0.425 27 V N 5.144 125.064 119.914 0.009 0.000 2.628 27 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 27 V C -0.394 175.714 176.094 0.024 0.000 1.045 27 V CA -0.630 61.706 62.300 0.060 0.000 0.905 27 V CB 2.364 34.272 31.823 0.142 0.000 0.997 27 V HN 0.595 nan 8.190 nan 0.000 0.436 28 V N 4.670 124.595 119.914 0.019 0.000 2.370 28 V HA 0.457 4.577 4.120 -0.000 0.000 0.283 28 V C -0.032 175.996 176.094 -0.111 0.000 1.023 28 V CA -0.681 61.597 62.300 -0.038 0.000 0.857 28 V CB 1.503 33.310 31.823 -0.027 0.000 0.985 28 V HN 0.814 nan 8.190 nan 0.000 0.443 29 K N 5.891 126.170 120.400 -0.202 0.000 2.425 29 K HA 0.587 4.907 4.320 -0.000 0.000 0.259 29 K C -1.147 175.285 176.600 -0.280 0.000 0.978 29 K CA -0.527 55.508 56.287 -0.421 0.000 0.883 29 K CB 1.071 33.235 32.500 -0.560 0.000 1.110 29 K HN 0.626 nan 8.250 nan 0.000 0.436 30 I N 4.088 124.509 120.570 -0.249 0.000 2.336 30 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 30 I C -0.282 175.747 176.117 -0.147 0.000 0.991 30 I CA -0.888 60.320 61.300 -0.153 0.000 1.227 30 I CB 1.325 39.263 38.000 -0.104 0.000 1.366 30 I HN 0.537 nan 8.210 nan 0.000 0.466 31 N N 4.365 122.999 118.700 -0.110 0.000 2.361 31 N HA 0.488 5.228 4.740 -0.000 0.000 0.302 31 N C -0.473 175.001 175.510 -0.059 0.000 1.074 31 N CA -0.430 52.569 53.050 -0.085 0.000 0.850 31 N CB 2.360 40.802 38.487 -0.075 0.000 1.228 31 N HN 0.599 nan 8.380 nan 0.000 0.491 32 T N -3.007 111.519 114.554 -0.046 0.000 2.942 32 T HA 0.252 4.602 4.350 -0.000 0.000 0.289 32 T C 0.691 175.377 174.700 -0.023 0.000 1.044 32 T CA -0.744 61.335 62.100 -0.035 0.000 1.023 32 T CB 1.411 70.258 68.868 -0.036 0.000 1.123 32 T HN 0.412 nan 8.240 nan 0.000 0.512 33 D N -0.129 120.260 120.400 -0.019 0.000 2.310 33 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 33 D C 1.033 177.330 176.300 -0.005 0.000 0.965 33 D CA 0.827 54.821 54.000 -0.011 0.000 0.879 33 D CB -0.215 40.579 40.800 -0.010 0.000 0.921 33 D HN 0.815 nan 8.370 nan 0.000 0.510 34 E N -0.567 119.630 120.200 -0.005 0.000 2.463 34 E HA 0.264 4.614 4.350 -0.000 0.000 0.193 34 E C 1.078 177.682 176.600 0.006 0.000 1.041 34 E CA 0.226 56.627 56.400 0.002 0.000 0.879 34 E CB 0.255 29.958 29.700 0.005 0.000 0.997 34 E HN 0.442 nan 8.360 nan 0.000 0.478 35 G N 1.806 110.607 108.800 0.002 0.000 2.179 35 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 35 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 35 G C 0.314 175.223 174.900 0.015 0.000 0.977 35 G CA -0.006 45.100 45.100 0.009 0.000 0.641 35 G HN 0.258 nan 8.290 nan 0.000 0.533 36 I N 2.153 122.728 120.570 0.008 0.000 2.396 36 I HA 0.373 4.543 4.170 -0.000 0.000 0.289 36 I C 0.397 176.511 176.117 -0.005 0.000 1.056 36 I CA 0.053 61.360 61.300 0.012 0.000 1.365 36 I CB 1.322 39.320 38.000 -0.003 0.000 1.407 36 I HN 0.063 nan 8.210 nan 0.000 0.509 37 S N 4.036 119.746 115.700 0.016 0.000 2.472 37 S HA 0.691 5.161 4.470 -0.000 0.000 0.303 37 S C 0.140 174.734 174.600 -0.010 0.000 1.099 37 S CA -0.697 57.476 58.200 -0.044 0.000 1.077 37 S CB 1.858 65.010 63.200 -0.080 0.000 1.031 37 S HN 0.788 nan 8.310 nan 0.000 0.487 38 G N 1.249 109.991 108.800 -0.096 0.000 2.420 38 G HA2 0.703 4.663 3.960 -0.000 0.000 0.331 38 G HA3 0.703 4.663 3.960 -0.000 0.000 0.331 38 G C -1.356 173.462 174.900 -0.136 0.000 1.168 38 G CA -0.542 44.557 45.100 -0.002 0.000 0.936 38 G HN 0.516 nan 8.290 nan 0.000 0.479 39 F N 0.612 120.592 119.950 0.050 0.000 2.458 39 F HA 0.679 5.206 4.527 -0.000 0.000 0.336 39 F C 0.845 176.686 175.800 0.069 0.000 1.114 39 F CA -0.193 57.842 58.000 0.059 0.000 0.987 39 F CB 2.695 41.740 39.000 0.075 0.000 1.130 39 F HN 0.682 nan 8.300 nan 0.000 0.458 40 G N 1.619 110.535 108.800 0.192 0.000 2.730 40 G HA2 0.586 4.546 3.960 -0.000 0.000 0.289 40 G HA3 0.586 4.546 3.960 -0.000 0.000 0.289 40 G C -2.050 172.936 174.900 0.143 0.000 1.341 40 G CA -0.634 44.564 45.100 0.164 0.000 0.932 40 G HN 0.536 nan 8.290 nan 0.000 0.481 41 E N -0.570 119.703 120.200 0.122 0.000 2.248 41 E HA 0.520 4.870 4.350 -0.000 0.000 0.267 41 E C -1.129 175.508 176.600 0.062 0.000 0.877 41 E CA -0.667 55.788 56.400 0.092 0.000 0.759 41 E CB 2.393 32.157 29.700 0.108 0.000 1.182 41 E HN 0.213 nan 8.360 nan 0.000 0.418 42 V N 3.550 123.474 119.914 0.016 0.000 2.385 42 V HA 0.345 4.465 4.120 -0.000 0.000 0.269 42 V C 0.837 176.911 176.094 -0.033 0.000 1.043 42 V CA -0.161 62.132 62.300 -0.011 0.000 0.906 42 V CB 1.208 33.001 31.823 -0.050 0.000 0.995 42 V HN 0.827 nan 8.190 nan 0.000 0.467 43 G N 5.300 114.102 108.800 0.004 0.000 3.458 43 G HA2 0.430 4.390 3.960 -0.000 0.000 0.256 43 G HA3 0.430 4.390 3.960 -0.000 0.000 0.256 43 G C 0.084 174.927 174.900 -0.094 0.000 0.938 43 G CA -0.157 44.952 45.100 0.014 0.000 1.890 43 G HN 0.694 nan 8.290 nan 0.000 0.639 44 L N 0.858 121.963 121.223 -0.197 0.000 3.186 44 L HA 0.283 4.623 4.340 -0.000 0.000 0.292 44 L C 1.810 178.431 176.870 -0.415 0.000 1.303 44 L CA -0.421 54.225 54.840 -0.324 0.000 0.940 44 L CB 1.014 42.933 42.059 -0.234 0.000 1.358 44 L HN 0.321 nan 8.230 nan 0.000 0.581 45 A N -0.117 122.419 122.820 -0.472 0.000 2.066 45 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 45 A C 0.710 178.028 177.584 -0.443 0.000 1.157 45 A CA 1.008 52.649 52.037 -0.661 0.000 0.670 45 A CB -0.275 17.991 19.000 -1.223 0.000 0.804 45 A HN 0.528 nan 8.150 nan 0.000 0.453 46 Y N -4.255 115.929 120.300 -0.193 0.000 2.753 46 Y HA 0.654 5.204 4.550 -0.000 0.000 0.324 46 Y C 0.954 176.866 175.900 0.019 0.000 1.147 46 Y CA -1.377 56.717 58.100 -0.010 0.000 1.173 46 Y CB 0.002 38.548 38.460 0.144 0.000 1.361 46 Y HN 0.672 nan 8.280 nan 0.000 0.545 47 G N -0.119 108.795 108.800 0.191 0.000 2.641 47 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.254 47 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.254 47 G C -1.449 173.456 174.900 0.007 0.000 1.315 47 G CA -0.249 44.911 45.100 0.100 0.000 0.907 47 G HN 1.063 nan 8.290 nan 0.000 0.572 48 V N 0.913 120.824 119.914 -0.005 0.000 2.378 48 V HA 0.701 4.821 4.120 -0.000 0.000 0.288 48 V C 1.102 177.164 176.094 -0.053 0.000 1.016 48 V CA 1.118 63.407 62.300 -0.019 0.000 0.840 48 V CB 0.538 32.366 31.823 0.009 0.000 0.994 48 V HN 2.500 nan 8.190 nan 0.000 0.431 49 G N 3.511 112.266 108.800 -0.076 0.000 3.658 49 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.220 49 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.220 49 G C 0.938 175.772 174.900 -0.110 0.000 0.917 49 G CA 0.529 45.575 45.100 -0.089 0.000 0.865 49 G HN 0.931 nan 8.290 nan 0.000 0.652 50 A N 1.218 123.961 122.820 -0.127 0.000 1.940 50 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 50 A C 2.520 180.038 177.584 -0.111 0.000 1.176 50 A CA 2.779 54.731 52.037 -0.142 0.000 0.631 50 A CB -0.588 18.309 19.000 -0.172 0.000 0.814 50 A HN 0.829 nan 8.150 nan 0.000 0.446 51 S N -0.109 115.538 115.700 -0.090 0.000 2.402 51 S HA 0.026 4.496 4.470 -0.000 0.000 0.229 51 S C 2.203 176.758 174.600 -0.075 0.000 1.021 51 S CA 1.008 59.163 58.200 -0.074 0.000 0.974 51 S CB -0.372 62.792 63.200 -0.059 0.000 0.800 51 S HN 0.805 nan 8.310 nan 0.000 0.484 52 A N 1.670 124.443 122.820 -0.079 0.000 1.930 52 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 52 A C 2.330 179.859 177.584 -0.092 0.000 1.175 52 A CA 1.482 53.471 52.037 -0.081 0.000 0.627 52 A CB -1.343 17.609 19.000 -0.079 0.000 0.815 52 A HN 0.504 nan 8.150 nan 0.000 0.443 53 G N 0.143 108.882 108.800 -0.101 0.000 2.422 53 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 53 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 53 G C 1.514 176.354 174.900 -0.101 0.000 1.146 53 G CA 1.141 46.176 45.100 -0.108 0.000 0.769 53 G HN 0.474 nan 8.290 nan 0.000 0.547 54 I N 1.141 121.656 120.570 -0.091 0.000 2.142 54 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 54 I C 3.104 179.175 176.117 -0.077 0.000 1.078 54 I CA 1.172 62.425 61.300 -0.079 0.000 1.343 54 I CB -0.487 37.471 38.000 -0.071 0.000 1.046 54 I HN 0.244 nan 8.210 nan 0.000 0.405 55 G N 0.210 108.965 108.800 -0.074 0.000 2.422 55 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 55 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 55 G C 1.618 176.468 174.900 -0.082 0.000 1.146 55 G CA 0.707 45.765 45.100 -0.069 0.000 0.769 55 G HN 0.178 nan 8.290 nan 0.000 0.547 56 M N 1.413 120.950 119.600 -0.106 0.000 2.099 56 M HA 0.218 4.698 4.480 -0.000 0.000 0.262 56 M C 2.723 178.919 176.300 -0.173 0.000 1.067 56 M CA 1.571 56.779 55.300 -0.155 0.000 1.124 56 M CB -0.484 32.002 32.600 -0.191 0.000 1.353 56 M HN 0.217 nan 8.290 nan 0.000 0.410 57 A N -0.283 122.452 122.820 -0.141 0.000 1.933 57 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 57 A C 2.240 179.765 177.584 -0.099 0.000 1.175 57 A CA 2.085 54.049 52.037 -0.122 0.000 0.628 57 A CB -0.861 18.083 19.000 -0.093 0.000 0.814 57 A HN 0.602 nan 8.150 nan 0.000 0.444 58 K N -0.482 119.868 120.400 -0.083 0.000 2.032 58 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 58 K C 1.337 177.900 176.600 -0.063 0.000 1.048 58 K CA 1.899 58.147 56.287 -0.066 0.000 0.927 58 K CB -0.276 32.191 32.500 -0.055 0.000 0.712 58 K HN 0.344 nan 8.250 nan 0.000 0.441 59 D N 0.871 121.230 120.400 -0.068 0.000 2.117 59 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 59 D C 2.040 178.302 176.300 -0.063 0.000 0.982 59 D CA 0.956 54.925 54.000 -0.051 0.000 0.828 59 D CB -0.150 40.628 40.800 -0.038 0.000 0.967 59 D HN 0.220 nan 8.370 nan 0.000 0.464 60 L N 0.527 121.682 121.223 -0.112 0.000 2.083 60 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 60 L C 2.419 179.238 176.870 -0.085 0.000 1.083 60 L CA 0.819 55.584 54.840 -0.125 0.000 0.752 60 L CB -0.288 41.645 42.059 -0.210 0.000 0.899 60 L HN -0.057 nan 8.230 nan 0.000 0.433 61 S N -0.036 115.616 115.700 -0.079 0.000 2.400 61 S HA -0.194 4.275 4.470 -0.000 0.000 0.232 61 S C 2.171 176.742 174.600 -0.048 0.000 1.025 61 S CA 1.163 59.326 58.200 -0.062 0.000 0.993 61 S CB -0.295 62.868 63.200 -0.062 0.000 0.808 61 S HN 0.518 nan 8.310 nan 0.000 0.478 62 A N 1.696 124.491 122.820 -0.041 0.000 2.019 62 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 62 A C 2.052 179.622 177.584 -0.024 0.000 1.164 62 A CA 1.385 53.405 52.037 -0.029 0.000 0.644 62 A CB -0.761 18.226 19.000 -0.022 0.000 0.805 62 A HN 0.718 nan 8.150 nan 0.000 0.449 63 I N -2.413 118.141 120.570 -0.026 0.000 3.578 63 I HA 0.161 4.331 4.170 -0.000 0.000 0.295 63 I C 1.652 177.754 176.117 -0.024 0.000 1.280 63 I CA 0.679 61.968 61.300 -0.020 0.000 1.347 63 I CB 0.004 37.997 38.000 -0.012 0.000 1.051 63 I HN 0.369 nan 8.210 nan 0.000 0.460 64 I N -0.864 119.687 120.570 -0.032 0.000 3.968 64 I HA 0.286 4.456 4.170 -0.000 0.000 0.328 64 I C 0.538 176.636 176.117 -0.032 0.000 1.290 64 I CA -0.334 60.946 61.300 -0.032 0.000 1.163 64 I CB 0.062 38.039 38.000 -0.039 0.000 1.024 64 I HN -0.133 nan 8.210 nan 0.000 0.413 65 I N 3.836 124.388 120.570 -0.031 0.000 2.752 65 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 65 I C 1.569 177.672 176.117 -0.024 0.000 1.197 65 I CA 1.518 62.801 61.300 -0.029 0.000 1.432 65 I CB -0.440 37.544 38.000 -0.027 0.000 1.359 65 I HN 0.624 nan 8.210 nan 0.000 0.571 66 G N 5.486 114.272 108.800 -0.024 0.000 2.195 66 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 66 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 66 G C 0.371 175.259 174.900 -0.020 0.000 0.984 66 G CA -0.174 44.914 45.100 -0.020 0.000 0.633 66 G HN 0.493 nan 8.290 nan 0.000 0.525 67 M N 0.928 120.514 119.600 -0.023 0.000 2.247 67 M HA 0.340 4.820 4.480 -0.000 0.000 0.326 67 M C 0.097 176.380 176.300 -0.028 0.000 1.134 67 M CA -0.546 54.740 55.300 -0.023 0.000 1.136 67 M CB 0.611 33.197 32.600 -0.023 0.000 1.454 67 M HN 0.116 nan 8.290 nan 0.000 0.467 68 D N 3.583 123.967 120.400 -0.027 0.000 2.346 68 D HA 0.097 4.737 4.640 -0.000 0.000 0.260 68 D C -1.620 174.649 176.300 -0.052 0.000 1.252 68 D CA -1.764 52.216 54.000 -0.033 0.000 0.895 68 D CB 0.913 41.699 40.800 -0.023 0.000 1.097 68 D HN 0.250 nan 8.370 nan 0.000 0.489 69 P HA -0.101 nan 4.420 nan 0.000 0.230 69 P C 1.377 178.587 177.300 -0.149 0.000 1.158 69 P CA 0.450 63.491 63.100 -0.098 0.000 0.769 69 P CB 0.175 31.816 31.700 -0.099 0.000 0.807 70 M N -0.671 118.848 119.600 -0.135 0.000 2.460 70 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 70 M C 0.418 176.620 176.300 -0.164 0.000 1.071 70 M CA 0.946 56.142 55.300 -0.173 0.000 1.096 70 M CB -1.322 31.230 32.600 -0.080 0.000 1.408 70 M HN -0.051 nan 8.290 nan 0.000 0.463 71 N N 2.489 121.124 118.700 -0.107 0.000 3.331 71 N HA 0.040 4.780 4.740 -0.000 0.000 0.303 71 N C 0.833 176.298 175.510 -0.074 0.000 1.326 71 N CA -0.033 52.973 53.050 -0.074 0.000 1.207 71 N CB -0.390 38.079 38.487 -0.030 0.000 1.477 71 N HN 0.415 nan 8.380 nan 0.000 0.541 72 N N 0.636 119.245 118.700 -0.151 0.000 2.223 72 N HA -0.179 4.561 4.740 -0.000 0.000 0.185 72 N C 0.803 176.353 175.510 0.066 0.000 1.016 72 N CA 1.003 54.000 53.050 -0.088 0.000 0.863 72 N CB 0.172 38.488 38.487 -0.285 0.000 0.983 72 N HN 0.261 nan 8.380 nan 0.000 0.429 73 E N 1.400 121.624 120.200 0.039 0.000 2.031 73 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 73 E C 2.144 178.824 176.600 0.133 0.000 0.994 73 E CA 1.320 57.779 56.400 0.098 0.000 0.800 73 E CB -0.430 29.304 29.700 0.056 0.000 0.752 73 E HN 0.542 nan 8.360 nan 0.000 0.447 74 A N 1.318 124.186 122.820 0.079 0.000 1.902 74 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 74 A C 2.335 179.967 177.584 0.080 0.000 1.181 74 A CA 1.211 53.291 52.037 0.072 0.000 0.623 74 A CB -0.710 18.312 19.000 0.036 0.000 0.818 74 A HN 0.159 nan 8.150 nan 0.000 0.443 75 I N -2.805 117.808 120.570 0.071 0.000 2.179 75 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 75 I C 2.421 178.591 176.117 0.088 0.000 1.088 75 I CA 1.626 62.959 61.300 0.056 0.000 1.357 75 I CB -0.328 37.689 38.000 0.028 0.000 1.051 75 I HN 0.658 nan 8.210 nan 0.000 0.409 76 W N 1.798 123.096 121.300 -0.003 0.000 2.338 76 W HA -0.277 4.383 4.660 -0.000 0.000 0.304 76 W C 2.595 179.094 176.519 -0.033 0.000 1.212 76 W CA 1.978 59.318 57.345 -0.009 0.000 1.264 76 W CB 0.039 29.508 29.460 0.015 0.000 1.142 76 W HN 0.072 nan 8.180 nan 0.000 0.512 77 E N 0.422 120.822 120.200 0.332 0.000 2.208 77 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 77 E C 2.038 178.660 176.600 0.036 0.000 0.988 77 E CA 1.460 57.988 56.400 0.214 0.000 0.828 77 E CB -0.257 29.562 29.700 0.200 0.000 0.763 77 E HN 0.187 nan 8.360 nan 0.000 0.478 78 K N -0.242 120.169 120.400 0.018 0.000 2.025 78 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 78 K C 2.001 178.569 176.600 -0.055 0.000 1.049 78 K CA 1.615 57.893 56.287 -0.015 0.000 0.933 78 K CB -0.074 32.423 32.500 -0.005 0.000 0.714 78 K HN 0.202 nan 8.250 nan 0.000 0.438 79 M N 0.533 120.063 119.600 -0.117 0.000 2.213 79 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 79 M C 2.165 178.400 176.300 -0.108 0.000 1.062 79 M CA 0.906 56.133 55.300 -0.121 0.000 1.105 79 M CB -0.239 32.208 32.600 -0.255 0.000 1.385 79 M HN 0.197 nan 8.290 nan 0.000 0.417 80 L N 0.684 121.708 121.223 -0.330 0.000 2.005 80 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 80 L C 2.181 178.920 176.870 -0.219 0.000 1.072 80 L CA 1.949 56.561 54.840 -0.380 0.000 0.744 80 L CB -0.353 41.440 42.059 -0.442 0.000 0.895 80 L HN 0.042 nan 8.230 nan 0.000 0.433 81 K N -0.740 119.578 120.400 -0.137 0.000 2.356 81 K HA 0.134 4.454 4.320 -0.000 0.000 0.195 81 K C 1.150 177.702 176.600 -0.080 0.000 1.037 81 K CA 0.376 56.596 56.287 -0.110 0.000 1.014 81 K CB 0.301 32.766 32.500 -0.058 0.000 0.815 81 K HN 0.236 nan 8.250 nan 0.000 0.507 82 K N 0.495 120.870 120.400 -0.042 0.000 2.413 82 K HA 0.121 4.441 4.320 -0.000 0.000 0.204 82 K C 1.060 177.676 176.600 0.027 0.000 1.041 82 K CA 0.341 56.623 56.287 -0.008 0.000 1.082 82 K CB 1.132 33.631 32.500 -0.002 0.000 0.871 82 K HN 0.137 nan 8.250 nan 0.000 0.535 83 T N -3.052 111.529 114.554 0.045 0.000 3.023 83 T HA 0.149 4.499 4.350 -0.000 0.000 0.253 83 T C 1.115 175.871 174.700 0.093 0.000 1.038 83 T CA -0.278 61.907 62.100 0.142 0.000 0.962 83 T CB -0.231 68.851 68.868 0.357 0.000 1.018 83 T HN 0.107 nan 8.240 nan 0.000 0.521 84 F N 0.526 120.328 119.950 -0.248 0.000 2.565 84 F HA -0.385 4.142 4.527 -0.000 0.000 0.684 84 F C 0.770 176.230 175.800 -0.566 0.000 0.487 84 F CA 1.925 59.615 58.000 -0.516 0.000 0.725 84 F CB -1.387 37.129 39.000 -0.806 0.000 1.613 84 F HN 0.310 nan 8.300 nan 0.000 0.264 85 W N 0.595 121.933 121.300 0.064 0.000 2.519 85 W HA 0.200 4.860 4.660 -0.000 0.000 0.266 85 W C 2.367 178.480 176.519 -0.677 0.000 1.253 85 W CA 0.847 58.101 57.345 -0.151 0.000 1.274 85 W CB -1.079 28.424 29.460 0.070 0.000 1.114 85 W HN 0.386 nan 8.180 nan 0.000 0.596 86 G N 0.726 109.049 108.800 -0.796 0.000 2.469 86 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 86 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 86 G C 1.343 176.001 174.900 -0.404 0.000 1.150 86 G CA 0.870 45.368 45.100 -1.004 0.000 0.763 86 G HN 0.320 nan 8.290 nan 0.000 0.561 87 Q N 0.057 119.637 119.800 -0.367 0.000 2.500 87 Q HA 0.058 4.398 4.340 -0.000 0.000 0.213 87 Q C 2.413 178.269 176.000 -0.241 0.000 0.974 87 Q CA 0.524 56.143 55.803 -0.307 0.000 0.918 87 Q CB 0.045 28.563 28.738 -0.367 0.000 0.980 87 Q HN 0.476 nan 8.270 nan 0.000 0.505 88 G N -0.237 108.440 108.800 -0.205 0.000 2.887 88 G HA2 0.357 4.317 3.960 -0.000 0.000 0.211 88 G HA3 0.357 4.317 3.960 -0.000 0.000 0.211 88 G C 0.559 175.379 174.900 -0.134 0.000 1.152 88 G CA 0.215 45.247 45.100 -0.113 0.000 0.769 88 G HN 0.455 nan 8.290 nan 0.000 0.541 89 G N -1.362 107.311 108.800 -0.212 0.000 2.860 89 G HA2 0.462 4.422 3.960 -0.000 0.000 0.553 89 G HA3 0.462 4.422 3.960 -0.000 0.000 0.553 89 G C 0.152 174.874 174.900 -0.297 0.000 1.439 89 G CA -0.203 44.655 45.100 -0.404 0.000 0.879 89 G HN 1.917 nan 8.290 nan 0.000 0.545 90 G N -1.909 106.662 108.800 -0.383 0.000 2.358 90 G HA2 0.614 4.574 3.960 -0.000 0.000 0.303 90 G HA3 0.614 4.574 3.960 -0.000 0.000 0.303 90 G C 0.912 175.525 174.900 -0.479 0.000 1.537 90 G CA 0.815 45.773 45.100 -0.236 0.000 0.928 90 G HN 2.096 nan 8.290 nan 0.000 0.656 91 G N -0.243 108.221 108.800 -0.560 0.000 2.418 91 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 91 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 91 G C 1.677 176.337 174.900 -0.400 0.000 1.158 91 G CA 1.703 46.278 45.100 -0.874 0.000 0.771 91 G HN 0.568 nan 8.290 nan 0.000 0.545 92 I N 0.068 120.523 120.570 -0.192 0.000 2.202 92 I HA -0.042 4.128 4.170 -0.000 0.000 0.242 92 I C 2.437 178.517 176.117 -0.060 0.000 1.091 92 I CA 0.721 61.955 61.300 -0.111 0.000 1.368 92 I CB -1.393 36.563 38.000 -0.073 0.000 1.058 92 I HN 0.167 nan 8.210 nan 0.000 0.410 93 F N 1.577 121.455 119.950 -0.119 0.000 2.069 93 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 93 F C 3.069 178.888 175.800 0.032 0.000 1.113 93 F CA 2.237 60.221 58.000 -0.025 0.000 1.214 93 F CB -0.160 38.858 39.000 0.031 0.000 0.978 93 F HN 0.021 nan 8.300 nan 0.000 0.474 94 S N -0.166 115.690 115.700 0.260 0.000 2.368 94 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 94 S C 2.222 176.927 174.600 0.175 0.000 1.030 94 S CA 1.175 59.586 58.200 0.352 0.000 0.999 94 S CB -0.728 62.494 63.200 0.037 0.000 0.844 94 S HN 0.480 nan 8.310 nan 0.000 0.459 95 A N 1.206 124.024 122.820 -0.003 0.000 1.933 95 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 95 A C 2.445 180.027 177.584 -0.003 0.000 1.175 95 A CA 1.856 53.895 52.037 0.003 0.000 0.628 95 A CB -1.305 17.657 19.000 -0.063 0.000 0.814 95 A HN 0.751 nan 8.150 nan 0.000 0.444 96 A N -0.746 122.033 122.820 -0.069 0.000 1.873 96 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 96 A C 2.246 179.774 177.584 -0.094 0.000 1.186 96 A CA 1.652 53.623 52.037 -0.110 0.000 0.616 96 A CB -0.539 18.340 19.000 -0.201 0.000 0.823 96 A HN 0.495 nan 8.150 nan 0.000 0.442 97 M N 0.013 119.548 119.600 -0.109 0.000 2.106 97 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 97 M C 2.385 178.728 176.300 0.072 0.000 1.068 97 M CA 1.924 57.180 55.300 -0.074 0.000 1.100 97 M CB -0.373 32.183 32.600 -0.073 0.000 1.351 97 M HN 0.487 nan 8.290 nan 0.000 0.404 98 S N 0.089 115.881 115.700 0.153 0.000 2.355 98 S HA -0.077 4.393 4.470 -0.000 0.000 0.222 98 S C 1.958 176.651 174.600 0.156 0.000 1.031 98 S CA 1.340 59.669 58.200 0.215 0.000 0.993 98 S CB -0.842 62.495 63.200 0.228 0.000 0.859 98 S HN 0.689 nan 8.310 nan 0.000 0.453 99 G N 1.672 110.529 108.800 0.094 0.000 2.440 99 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 99 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 99 G C 1.366 176.307 174.900 0.069 0.000 1.154 99 G CA 0.712 45.857 45.100 0.074 0.000 0.767 99 G HN 0.463 nan 8.290 nan 0.000 0.552 100 I N 0.634 121.228 120.570 0.041 0.000 2.179 100 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 100 I C 2.450 178.622 176.117 0.092 0.000 1.088 100 I CA 1.639 62.957 61.300 0.030 0.000 1.357 100 I CB -0.212 37.778 38.000 -0.017 0.000 1.051 100 I HN 0.189 nan 8.210 nan 0.000 0.409 101 D N 1.064 121.560 120.400 0.160 0.000 2.104 101 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 101 D C 2.156 178.659 176.300 0.339 0.000 0.994 101 D CA 1.495 55.665 54.000 0.283 0.000 0.830 101 D CB -0.024 41.023 40.800 0.412 0.000 0.959 101 D HN 0.284 nan 8.370 nan 0.000 0.452 102 I N 0.437 121.160 120.570 0.256 0.000 2.163 102 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 102 I C 2.485 178.734 176.117 0.221 0.000 1.085 102 I CA 1.102 62.542 61.300 0.234 0.000 1.347 102 I CB -0.363 37.736 38.000 0.165 0.000 1.044 102 I HN 0.085 nan 8.210 nan 0.000 0.408 103 A N 0.838 123.749 122.820 0.151 0.000 1.940 103 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 103 A C 2.279 179.896 177.584 0.056 0.000 1.176 103 A CA 1.448 53.539 52.037 0.091 0.000 0.631 103 A CB -0.815 18.197 19.000 0.020 0.000 0.814 103 A HN 0.419 nan 8.150 nan 0.000 0.446 104 L N -2.990 118.266 121.223 0.055 0.000 2.093 104 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 104 L C 2.520 179.312 176.870 -0.130 0.000 1.085 104 L CA 1.040 55.847 54.840 -0.054 0.000 0.755 104 L CB -0.504 41.506 42.059 -0.082 0.000 0.904 104 L HN 0.570 nan 8.230 nan 0.000 0.435 105 W N 0.608 121.867 121.300 -0.069 0.000 2.388 105 W HA -0.171 4.489 4.660 -0.000 0.000 0.294 105 W C 2.367 178.801 176.519 -0.141 0.000 1.212 105 W CA 1.189 58.464 57.345 -0.117 0.000 1.271 105 W CB -0.291 29.121 29.460 -0.079 0.000 1.126 105 W HN 0.177 nan 8.180 nan 0.000 0.535 106 D N 0.337 120.820 120.400 0.138 0.000 2.104 106 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 106 D C 1.955 178.250 176.300 -0.009 0.000 0.994 106 D CA 1.620 55.665 54.000 0.075 0.000 0.830 106 D CB -0.375 40.512 40.800 0.145 0.000 0.959 106 D HN 0.073 nan 8.370 nan 0.000 0.452 107 I N 0.227 120.766 120.570 -0.050 0.000 2.163 107 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 107 I C 2.543 178.512 176.117 -0.247 0.000 1.085 107 I CA 1.133 62.364 61.300 -0.116 0.000 1.347 107 I CB -0.256 37.671 38.000 -0.122 0.000 1.044 107 I HN 0.044 nan 8.210 nan 0.000 0.408 108 K N 0.869 121.039 120.400 -0.382 0.000 2.057 108 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 108 K C 2.101 178.241 176.600 -0.766 0.000 1.049 108 K CA 1.670 57.505 56.287 -0.753 0.000 0.931 108 K CB -0.354 31.619 32.500 -0.879 0.000 0.714 108 K HN 0.424 nan 8.250 nan 0.000 0.440 109 G N 1.008 109.592 108.800 -0.361 0.000 2.408 109 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 109 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 109 G C 1.312 176.158 174.900 -0.089 0.000 1.150 109 G CA 0.589 45.585 45.100 -0.173 0.000 0.776 109 G HN 0.274 nan 8.290 nan 0.000 0.542 110 K N 0.567 120.916 120.400 -0.084 0.000 2.057 110 K HA 0.105 4.425 4.320 -0.000 0.000 0.206 110 K C 2.900 179.493 176.600 -0.012 0.000 1.050 110 K CA 0.915 57.191 56.287 -0.018 0.000 0.935 110 K CB -0.195 32.310 32.500 0.008 0.000 0.715 110 K HN 0.243 nan 8.250 nan 0.000 0.439 111 A N 0.487 123.252 122.820 -0.092 0.000 1.978 111 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 111 A C 1.200 178.906 177.584 0.203 0.000 1.170 111 A CA 1.208 53.234 52.037 -0.018 0.000 0.636 111 A CB -0.476 18.442 19.000 -0.137 0.000 0.810 111 A HN 0.406 nan 8.150 nan 0.000 0.448 112 W N -1.890 119.401 121.300 -0.014 0.000 3.107 112 W HA 0.404 5.064 4.660 -0.000 0.000 0.293 112 W C 1.433 177.944 176.519 -0.014 0.000 1.239 112 W CA 0.032 57.367 57.345 -0.018 0.000 1.653 112 W CB -0.908 28.537 29.460 -0.026 0.000 1.068 112 W HN 0.619 nan 8.180 nan 0.000 0.615 113 G N 1.200 110.112 108.800 0.186 0.000 2.182 113 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.248 113 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.248 113 G C -0.518 174.435 174.900 0.089 0.000 1.042 113 G CA 0.195 45.359 45.100 0.108 0.000 0.775 113 G HN 0.025 nan 8.290 nan 0.000 0.501 114 V N 1.463 121.435 119.914 0.096 0.000 2.588 114 V HA 0.630 4.750 4.120 -0.000 0.000 0.304 114 V C -1.786 174.293 176.094 -0.025 0.000 1.042 114 V CA -1.717 60.614 62.300 0.051 0.000 0.877 114 V CB 2.509 34.417 31.823 0.142 0.000 0.996 114 V HN 0.183 nan 8.190 nan 0.000 0.425 115 P HA 0.126 nan 4.420 nan 0.000 0.274 115 P C 0.749 177.888 177.300 -0.267 0.000 1.231 115 P CA -0.277 62.739 63.100 -0.139 0.000 0.790 115 P CB 1.359 33.035 31.700 -0.039 0.000 0.951 116 L N 4.304 125.284 121.223 -0.405 0.000 2.013 116 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 116 L C 2.644 179.409 176.870 -0.174 0.000 1.073 116 L CA 2.069 56.676 54.840 -0.389 0.000 0.753 116 L CB -2.067 39.551 42.059 -0.734 0.000 0.890 116 L HN 0.474 nan 8.230 nan 0.000 0.432 117 Y N -0.612 119.732 120.300 0.073 0.000 2.181 117 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 117 Y C 2.208 178.141 175.900 0.055 0.000 1.179 117 Y CA 1.877 60.044 58.100 0.111 0.000 1.179 117 Y CB -1.120 37.428 38.460 0.146 0.000 0.973 117 Y HN 0.168 nan 8.280 nan 0.000 0.519 118 K N 0.070 120.153 120.400 -0.528 0.000 2.155 118 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 118 K C 1.944 178.523 176.600 -0.036 0.000 1.052 118 K CA 1.627 57.740 56.287 -0.290 0.000 0.948 118 K CB -0.171 32.108 32.500 -0.368 0.000 0.728 118 K HN 0.459 nan 8.250 nan 0.000 0.448 119 M N 0.394 120.010 119.600 0.026 0.000 2.492 119 M HA -0.024 4.456 4.480 -0.000 0.000 0.262 119 M C 1.366 177.788 176.300 0.202 0.000 1.090 119 M CA 1.002 56.430 55.300 0.212 0.000 1.110 119 M CB 0.159 32.974 32.600 0.358 0.000 1.407 119 M HN 0.066 nan 8.290 nan 0.000 0.470 120 L N -0.578 120.680 121.223 0.059 0.000 2.592 120 L HA 0.238 4.578 4.340 -0.000 0.000 0.227 120 L C 1.082 177.972 176.870 0.033 0.000 1.127 120 L CA 0.148 54.986 54.840 -0.004 0.000 0.884 120 L CB -0.060 41.939 42.059 -0.100 0.000 1.065 120 L HN 0.566 nan 8.230 nan 0.000 0.457 121 G N -0.856 107.981 108.800 0.061 0.000 2.159 121 G HA2 0.053 4.013 3.960 -0.000 0.000 0.170 121 G HA3 0.053 4.013 3.960 -0.000 0.000 0.170 121 G C 0.486 175.431 174.900 0.076 0.000 1.007 121 G CA -0.288 44.847 45.100 0.058 0.000 0.672 121 G HN 0.749 nan 8.290 nan 0.000 0.507 122 G N -0.582 108.292 108.800 0.124 0.000 2.500 122 G HA2 0.197 4.157 3.960 -0.000 0.000 0.209 122 G HA3 0.197 4.157 3.960 -0.000 0.000 0.209 122 G C -0.371 174.698 174.900 0.282 0.000 1.283 122 G CA 0.221 45.441 45.100 0.200 0.000 0.960 122 G HN 1.019 nan 8.290 nan 0.000 0.528 123 K N 0.367 120.897 120.400 0.216 0.000 2.300 123 K HA 0.604 4.924 4.320 -0.000 0.000 0.264 123 K C 0.942 177.542 176.600 -0.000 0.000 1.083 123 K CA 0.154 56.469 56.287 0.046 0.000 0.958 123 K CB 0.247 32.732 32.500 -0.025 0.000 1.318 123 K HN 0.361 nan 8.250 nan 0.000 0.448 124 S N 3.570 119.256 115.700 -0.023 0.000 2.528 124 S HA 0.027 4.497 4.470 -0.000 0.000 0.219 124 S C 0.081 174.663 174.600 -0.030 0.000 0.985 124 S CA 0.100 58.289 58.200 -0.017 0.000 0.914 124 S CB -0.032 63.160 63.200 -0.013 0.000 0.776 124 S HN 0.702 nan 8.310 nan 0.000 0.526 125 R N -0.300 120.155 120.500 -0.075 0.000 2.710 125 R HA 0.455 4.795 4.340 -0.000 0.000 0.270 125 R C -0.892 175.337 176.300 -0.118 0.000 1.021 125 R CA -0.740 55.318 56.100 -0.069 0.000 0.889 125 R CB 0.774 31.044 30.300 -0.049 0.000 1.243 125 R HN -0.217 nan 8.270 nan 0.000 0.464 126 E N 0.759 120.908 120.200 -0.086 0.000 2.364 126 E HA 0.192 4.542 4.350 -0.000 0.000 0.196 126 E C -0.383 176.153 176.600 -0.107 0.000 0.990 126 E CA 0.652 56.991 56.400 -0.102 0.000 0.886 126 E CB 0.582 30.246 29.700 -0.060 0.000 0.866 126 E HN 0.371 nan 8.360 nan 0.000 0.493 127 K N 0.586 120.938 120.400 -0.080 0.000 2.502 127 K HA 0.433 4.753 4.320 -0.000 0.000 0.257 127 K C -0.952 175.625 176.600 -0.038 0.000 0.938 127 K CA -0.688 55.565 56.287 -0.056 0.000 0.819 127 K CB 2.280 34.767 32.500 -0.020 0.000 1.333 127 K HN -0.164 nan 8.250 nan 0.000 0.434 128 I N 3.044 123.603 120.570 -0.018 0.000 2.405 128 I HA 0.256 4.426 4.170 -0.000 0.000 0.280 128 I C 0.271 176.507 176.117 0.198 0.000 1.027 128 I CA -0.545 60.770 61.300 0.025 0.000 1.161 128 I CB 1.090 39.016 38.000 -0.124 0.000 1.300 128 I HN 0.542 nan 8.210 nan 0.000 0.463 129 R N 4.325 125.011 120.500 0.309 0.000 2.570 129 R HA 0.260 4.600 4.340 -0.000 0.000 0.277 129 R C -0.605 175.906 176.300 0.352 0.000 1.039 129 R CA 0.498 56.760 56.100 0.271 0.000 1.065 129 R CB 0.626 31.070 30.300 0.240 0.000 0.964 129 R HN 0.576 nan 8.270 nan 0.000 0.428 130 T N 4.641 119.365 114.554 0.284 0.000 2.893 130 T HA 0.356 4.706 4.350 -0.000 0.000 0.291 130 T C -1.316 173.547 174.700 0.272 0.000 1.028 130 T CA -0.544 61.744 62.100 0.314 0.000 0.995 130 T CB 0.961 70.034 68.868 0.340 0.000 1.051 130 T HN 0.531 nan 8.240 nan 0.000 0.470 131 Y N 0.099 120.477 120.300 0.129 0.000 2.446 131 Y HA 0.822 5.372 4.550 0.000 0.000 0.338 131 Y C -0.198 175.541 175.900 -0.269 0.000 1.055 131 Y CA -1.942 56.120 58.100 -0.062 0.000 1.101 131 Y CB 0.735 39.127 38.460 -0.113 0.000 1.221 131 Y HN 0.699 nan 8.280 nan 0.000 0.460 132 A N 2.695 125.270 122.820 -0.408 0.000 2.396 132 A HA 0.432 4.752 4.320 -0.000 0.000 0.279 132 A C 0.091 177.439 177.584 -0.393 0.000 1.165 132 A CA -0.233 51.221 52.037 -0.972 0.000 0.824 132 A CB -0.392 17.466 19.000 -1.903 0.000 1.100 132 A HN 0.747 nan 8.150 nan 0.000 0.516 133 S N 2.212 117.810 115.700 -0.170 0.000 2.489 133 S HA 0.469 4.939 4.470 -0.000 0.000 0.291 133 S C -0.341 174.314 174.600 0.091 0.000 1.151 133 S CA -0.236 57.974 58.200 0.016 0.000 1.082 133 S CB 0.240 63.278 63.200 -0.270 0.000 1.019 133 S HN 0.764 nan 8.310 nan 0.000 0.492 134 Q N 2.410 122.274 119.800 0.106 0.000 2.441 134 Q HA -0.122 4.218 4.340 -0.000 0.000 0.300 134 Q C 0.084 176.141 176.000 0.095 0.000 1.419 134 Q CA 0.170 56.062 55.803 0.149 0.000 0.751 134 Q CB -2.085 26.863 28.738 0.349 0.000 1.107 134 Q HN 0.704 nan 8.270 nan 0.000 0.385 135 L N 1.046 122.288 121.223 0.032 0.000 2.465 135 L HA -0.134 4.206 4.340 -0.000 0.000 0.224 135 L C 2.632 179.422 176.870 -0.134 0.000 1.145 135 L CA 2.102 56.949 54.840 0.011 0.000 0.834 135 L CB -0.183 41.858 42.059 -0.030 0.000 0.944 135 L HN 0.472 nan 8.230 nan 0.000 0.451 136 Q N -1.548 118.118 119.800 -0.222 0.000 2.437 136 Q HA -0.164 4.176 4.340 -0.000 0.000 0.210 136 Q C 0.984 176.746 176.000 -0.398 0.000 0.972 136 Q CA 1.419 56.981 55.803 -0.401 0.000 0.903 136 Q CB -0.447 28.205 28.738 -0.145 0.000 0.967 136 Q HN 0.398 nan 8.270 nan 0.000 0.486 137 F N 0.981 120.906 119.950 -0.042 0.000 2.641 137 F HA 0.503 5.030 4.527 -0.000 0.000 0.302 137 F C 1.376 177.154 175.800 -0.037 0.000 1.098 137 F CA 0.041 58.004 58.000 -0.061 0.000 1.318 137 F CB 0.175 39.138 39.000 -0.063 0.000 1.035 137 F HN 0.227 nan 8.300 nan 0.000 0.551 138 G N -0.228 108.623 108.800 0.086 0.000 2.796 138 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.571 138 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.571 138 G C -1.131 173.916 174.900 0.245 0.000 1.370 138 G CA -0.626 44.529 45.100 0.092 0.000 0.856 138 G HN 0.280 nan 8.290 nan 0.000 0.538 139 W N -0.013 121.267 121.300 -0.034 0.000 3.213 139 W HA 0.552 5.212 4.660 -0.000 0.000 0.318 139 W C 0.549 177.059 176.519 -0.016 0.000 1.248 139 W CA 0.884 58.211 57.345 -0.029 0.000 1.187 139 W CB 1.622 31.057 29.460 -0.042 0.000 1.403 139 W HN 2.569 nan 8.180 nan 0.000 0.556 140 G N 2.724 111.362 108.800 -0.270 0.000 2.661 140 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 140 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 140 G C -0.916 173.880 174.900 -0.173 0.000 1.298 140 G CA -0.461 44.569 45.100 -0.118 0.000 0.855 140 G HN 0.495 nan 8.290 nan 0.000 0.560 141 D N 0.096 120.431 120.400 -0.109 0.000 2.354 141 D HA 0.502 5.142 4.640 -0.000 0.000 0.247 141 D C 1.495 177.749 176.300 -0.076 0.000 1.138 141 D CA 0.910 54.846 54.000 -0.107 0.000 0.958 141 D CB 0.702 41.453 40.800 -0.081 0.000 1.144 141 D HN 2.128 nan 8.370 nan 0.000 0.458 142 G N -0.036 108.717 108.800 -0.078 0.000 2.184 142 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 142 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 142 G C 0.654 175.515 174.900 -0.066 0.000 0.975 142 G CA 0.796 45.858 45.100 -0.063 0.000 0.642 142 G HN 0.846 nan 8.290 nan 0.000 0.536 143 S N 0.209 115.857 115.700 -0.086 0.000 2.601 143 S HA 0.371 4.841 4.470 -0.000 0.000 0.244 143 S C 0.403 174.948 174.600 -0.092 0.000 1.001 143 S CA 0.282 58.438 58.200 -0.073 0.000 0.984 143 S CB 0.470 63.636 63.200 -0.057 0.000 0.842 143 S HN 0.423 nan 8.310 nan 0.000 0.474 147 M N 2.247 121.907 119.600 0.100 0.000 1.998 147 M HA 0.323 4.803 4.480 -0.000 0.000 0.289 147 M C -0.828 175.543 176.300 0.118 0.000 0.886 147 M CA -0.367 55.031 55.300 0.163 0.000 0.853 147 M CB 0.567 33.272 32.600 0.174 0.000 1.462 147 M HN 0.299 nan 8.290 nan 0.000 0.375 148 L N 2.424 123.664 121.223 0.028 0.000 2.416 148 L HA 0.242 4.582 4.340 -0.000 0.000 0.272 148 L C 1.528 178.519 176.870 0.201 0.000 1.161 148 L CA 0.076 54.888 54.840 -0.047 0.000 0.845 148 L CB 0.661 42.421 42.059 -0.499 0.000 1.119 148 L HN 0.714 nan 8.230 nan 0.000 0.464 149 T N -2.074 112.627 114.554 0.246 0.000 3.056 149 T HA 0.144 4.494 4.350 -0.000 0.000 0.243 149 T C 0.575 175.442 174.700 0.279 0.000 0.995 149 T CA -0.370 61.896 62.100 0.277 0.000 1.091 149 T CB 0.367 69.330 68.868 0.157 0.000 0.990 149 T HN 0.390 nan 8.240 nan 0.000 0.464 150 E N 2.440 122.784 120.200 0.241 0.000 2.266 150 E HA 0.314 4.664 4.350 -0.000 0.000 0.277 150 E C -1.977 174.757 176.600 0.223 0.000 1.018 150 E CA -2.778 53.721 56.400 0.164 0.000 0.840 150 E CB 1.300 31.068 29.700 0.112 0.000 1.082 150 E HN 0.041 nan 8.360 nan 0.000 0.395 151 P HA -0.301 nan 4.420 nan 0.000 0.219 151 P C 1.118 178.494 177.300 0.126 0.000 1.158 151 P CA 2.133 65.264 63.100 0.053 0.000 0.895 151 P CB 0.223 31.917 31.700 -0.010 0.000 0.792 152 E N -0.182 120.077 120.200 0.097 0.000 2.070 152 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 152 E C 2.106 178.769 176.600 0.104 0.000 1.004 152 E CA 1.179 57.628 56.400 0.081 0.000 0.805 152 E CB -1.156 28.580 29.700 0.059 0.000 0.744 152 E HN 0.305 nan 8.360 nan 0.000 0.451 153 Q N -0.141 119.737 119.800 0.131 0.000 2.096 153 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 153 Q C 1.897 177.934 176.000 0.062 0.000 0.982 153 Q CA 1.850 57.706 55.803 0.088 0.000 0.850 153 Q CB -0.271 28.509 28.738 0.071 0.000 0.901 153 Q HN 0.449 nan 8.270 nan 0.000 0.422 154 Y N -0.294 120.018 120.300 0.020 0.000 2.200 154 Y HA -0.237 4.313 4.550 0.000 0.000 0.290 154 Y C 2.393 178.292 175.900 -0.002 0.000 1.137 154 Y CA 0.896 59.003 58.100 0.011 0.000 1.163 154 Y CB -0.228 38.233 38.460 0.001 0.000 0.988 154 Y HN 0.168 nan 8.280 nan 0.000 0.518 155 A N -0.361 122.546 122.820 0.145 0.000 1.902 155 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 155 A C 2.069 179.677 177.584 0.040 0.000 1.181 155 A CA 1.816 53.892 52.037 0.065 0.000 0.623 155 A CB -0.741 18.285 19.000 0.043 0.000 0.818 155 A HN 0.390 nan 8.150 nan 0.000 0.443 156 Q N 0.080 119.906 119.800 0.044 0.000 2.077 156 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 156 Q C 2.099 178.123 176.000 0.039 0.000 0.989 156 Q CA 2.454 58.279 55.803 0.036 0.000 0.853 156 Q CB -0.763 27.997 28.738 0.036 0.000 0.907 156 Q HN 0.568 nan 8.270 nan 0.000 0.418 157 A N 0.055 122.894 122.820 0.032 0.000 1.902 157 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 157 A C 2.272 179.870 177.584 0.024 0.000 1.181 157 A CA 2.074 54.142 52.037 0.053 0.000 0.623 157 A CB -1.130 17.875 19.000 0.009 0.000 0.818 157 A HN 0.506 nan 8.150 nan 0.000 0.443 158 A N -0.346 122.465 122.820 -0.015 0.000 1.898 158 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 158 A C 2.169 179.723 177.584 -0.051 0.000 1.181 158 A CA 1.424 53.422 52.037 -0.067 0.000 0.620 158 A CB -0.594 18.378 19.000 -0.046 0.000 0.819 158 A HN 0.464 nan 8.150 nan 0.000 0.442 159 L N -0.610 120.608 121.223 -0.010 0.000 2.083 159 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 159 L C 2.793 179.680 176.870 0.028 0.000 1.083 159 L CA 1.779 56.621 54.840 0.004 0.000 0.752 159 L CB -0.812 41.255 42.059 0.013 0.000 0.899 159 L HN 0.371 nan 8.230 nan 0.000 0.433 160 T N -0.218 114.373 114.554 0.061 0.000 2.746 160 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 160 T C 1.988 176.791 174.700 0.171 0.000 1.039 160 T CA 1.339 63.518 62.100 0.132 0.000 1.142 160 T CB -0.243 68.743 68.868 0.197 0.000 0.866 160 T HN 0.463 nan 8.240 nan 0.000 0.444 161 A N 0.950 123.787 122.820 0.027 0.000 1.902 161 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 161 A C 2.589 180.219 177.584 0.077 0.000 1.181 161 A CA 1.315 53.257 52.037 -0.158 0.000 0.623 161 A CB -1.017 17.533 19.000 -0.749 0.000 0.818 161 A HN 0.355 nan 8.150 nan 0.000 0.443 162 V N 0.988 120.906 119.914 0.007 0.000 2.343 162 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 162 V C 3.012 179.116 176.094 0.018 0.000 1.051 162 V CA 2.405 64.709 62.300 0.007 0.000 1.036 162 V CB -0.947 30.863 31.823 -0.022 0.000 0.654 162 V HN 0.837 nan 8.190 nan 0.000 0.451 163 S N 0.259 115.983 115.700 0.041 0.000 2.419 163 S HA -0.222 4.248 4.470 -0.000 0.000 0.233 163 S C 1.599 176.224 174.600 0.042 0.000 1.016 163 S CA 1.587 59.809 58.200 0.037 0.000 0.974 163 S CB -0.517 62.712 63.200 0.049 0.000 0.786 163 S HN 0.761 nan 8.310 nan 0.000 0.492 164 E N 0.764 121.025 120.200 0.102 0.000 2.502 164 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 164 E C 1.179 177.673 176.600 -0.177 0.000 1.062 164 E CA 0.208 56.652 56.400 0.073 0.000 0.867 164 E CB -0.193 29.707 29.700 0.332 0.000 0.888 164 E HN 0.753 nan 8.360 nan 0.000 0.510 165 G N 0.846 109.536 108.800 -0.184 0.000 2.159 165 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.227 165 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.227 165 G C -0.345 174.317 174.900 -0.396 0.000 0.986 165 G CA -0.492 44.438 45.100 -0.283 0.000 0.651 165 G HN 0.205 nan 8.290 nan 0.000 0.523 166 Y N 1.836 122.091 120.300 -0.075 0.000 2.402 166 Y HA 0.406 4.956 4.550 -0.000 0.000 0.333 166 Y C 1.236 177.065 175.900 -0.119 0.000 1.076 166 Y CA -0.282 57.752 58.100 -0.110 0.000 1.299 166 Y CB 0.950 39.292 38.460 -0.197 0.000 1.197 166 Y HN 0.244 nan 8.280 nan 0.000 0.517 167 D N 0.697 121.102 120.400 0.008 0.000 2.358 167 D HA 0.388 5.028 4.640 -0.000 0.000 0.224 167 D C -0.262 175.972 176.300 -0.110 0.000 1.123 167 D CA -0.090 53.876 54.000 -0.056 0.000 0.833 167 D CB 0.064 40.822 40.800 -0.070 0.000 0.946 167 D HN 0.400 nan 8.370 nan 0.000 0.505 168 A N 0.206 122.978 122.820 -0.080 0.000 2.547 168 A HA 0.639 4.959 4.320 -0.000 0.000 0.297 168 A C -1.171 176.329 177.584 -0.139 0.000 1.056 168 A CA -1.000 50.933 52.037 -0.172 0.000 0.688 168 A CB 1.103 19.989 19.000 -0.190 0.000 1.282 168 A HN 0.298 nan 8.150 nan 0.000 0.400 169 I N -1.255 119.177 120.570 -0.229 0.000 2.934 169 I HA 0.875 5.045 4.170 -0.000 0.000 0.306 169 I C -0.713 175.221 176.117 -0.307 0.000 1.110 169 I CA -0.809 60.349 61.300 -0.236 0.000 1.019 169 I CB 2.188 40.046 38.000 -0.237 0.000 1.227 169 I HN 0.630 nan 8.210 nan 0.000 0.434 170 K N 3.011 123.272 120.400 -0.232 0.000 2.371 170 K HA 0.873 5.193 4.320 -0.000 0.000 0.251 170 K C -2.060 174.493 176.600 -0.077 0.000 0.934 170 K CA -0.882 55.259 56.287 -0.243 0.000 0.798 170 K CB 2.460 34.778 32.500 -0.303 0.000 1.204 170 K HN 0.749 nan 8.250 nan 0.000 0.427 171 V N 2.400 122.295 119.914 -0.032 0.000 2.932 171 V HA 0.354 4.474 4.120 -0.000 0.000 0.307 171 V C -2.026 174.131 176.094 0.105 0.000 1.147 171 V CA -0.686 61.651 62.300 0.062 0.000 0.951 171 V CB 2.086 33.976 31.823 0.112 0.000 1.031 171 V HN 0.954 nan 8.190 nan 0.000 0.426 172 D N 3.465 123.969 120.400 0.174 0.000 2.427 172 D HA 0.335 4.975 4.640 -0.000 0.000 0.226 172 D C 0.898 177.334 176.300 0.226 0.000 1.076 172 D CA 0.370 54.494 54.000 0.205 0.000 0.849 172 D CB 1.945 42.967 40.800 0.371 0.000 1.052 172 D HN 0.812 nan 8.370 nan 0.000 0.515 173 T N 0.118 114.739 114.554 0.113 0.000 3.086 173 T HA 0.096 4.446 4.350 -0.000 0.000 0.250 173 T C 1.360 175.996 174.700 -0.106 0.000 1.074 173 T CA 0.068 62.154 62.100 -0.023 0.000 0.988 173 T CB 0.300 69.102 68.868 -0.111 0.000 0.988 173 T HN 0.150 nan 8.240 nan 0.000 0.530 174 V N 0.564 120.397 119.914 -0.136 0.000 3.212 174 V HA 0.394 4.514 4.120 -0.000 0.000 0.244 174 V C 2.937 178.939 176.094 -0.153 0.000 1.151 174 V CA 0.741 62.894 62.300 -0.245 0.000 1.119 174 V CB -0.451 31.077 31.823 -0.493 0.000 0.838 174 V HN 0.549 nan 8.190 nan 0.000 0.470 175 A N -0.395 122.347 122.820 -0.130 0.000 2.067 175 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 175 A C 1.328 178.698 177.584 -0.356 0.000 1.158 175 A CA 1.025 52.844 52.037 -0.363 0.000 0.661 175 A CB -0.337 18.237 19.000 -0.709 0.000 0.801 175 A HN 0.440 nan 8.150 nan 0.000 0.452 176 M N 1.841 121.445 119.600 0.007 0.000 2.144 176 M HA 0.301 4.781 4.480 -0.000 0.000 0.356 176 M C -0.195 176.149 176.300 0.074 0.000 1.217 176 M CA -0.907 54.514 55.300 0.201 0.000 1.087 176 M CB 0.820 33.669 32.600 0.414 0.000 1.609 176 M HN 0.440 nan 8.290 nan 0.000 0.467 177 D N 4.203 124.631 120.400 0.047 0.000 2.414 177 D HA 0.077 4.717 4.640 -0.000 0.000 0.259 177 D C 0.679 176.957 176.300 -0.037 0.000 1.269 177 D CA -0.160 53.830 54.000 -0.016 0.000 1.028 177 D CB 0.326 41.114 40.800 -0.019 0.000 1.093 177 D HN 0.735 nan 8.370 nan 0.000 0.545 178 R N -0.930 119.454 120.500 -0.193 0.000 2.285 178 R HA -0.085 4.255 4.340 -0.000 0.000 0.213 178 R C 0.623 176.790 176.300 -0.221 0.000 1.068 178 R CA 1.072 57.024 56.100 -0.247 0.000 1.004 178 R CB -0.796 29.299 30.300 -0.342 0.000 0.873 178 R HN 0.558 nan 8.270 nan 0.000 0.467 179 H N -0.518 118.597 119.070 0.074 0.000 2.652 179 H HA 0.279 4.835 4.556 -0.000 0.000 0.274 179 H C 0.673 176.057 175.328 0.094 0.000 1.021 179 H CA 0.066 56.158 56.048 0.073 0.000 1.187 179 H CB 1.351 31.146 29.762 0.055 0.000 1.505 179 H HN 0.489 nan 8.280 nan 0.000 0.530 180 G N 1.217 110.135 108.800 0.196 0.000 2.137 180 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 180 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 180 G C -0.520 174.518 174.900 0.230 0.000 1.002 180 G CA -0.362 44.864 45.100 0.210 0.000 0.702 180 G HN 0.337 nan 8.290 nan 0.000 0.515 181 N N 0.024 118.852 118.700 0.213 0.000 2.479 181 N HA 0.333 5.073 4.740 -0.000 0.000 0.285 181 N C -0.443 175.215 175.510 0.246 0.000 1.075 181 N CA -0.242 52.931 53.050 0.206 0.000 0.967 181 N CB 1.319 39.890 38.487 0.139 0.000 1.137 181 N HN 0.410 nan 8.380 nan 0.000 0.472 182 W N 2.923 124.261 121.300 0.064 0.000 2.349 182 W HA 0.108 4.768 4.660 0.000 0.000 0.309 182 W C 0.171 176.661 176.519 -0.048 0.000 1.083 182 W CA -0.410 56.975 57.345 0.067 0.000 1.224 182 W CB 0.270 29.817 29.460 0.146 0.000 1.256 182 W HN 0.648 nan 8.180 nan 0.000 0.461 183 N N 3.520 121.752 118.700 -0.778 0.000 2.725 183 N HA -0.277 4.463 4.740 -0.000 0.000 0.251 183 N C 0.040 175.284 175.510 -0.444 0.000 1.031 183 N CA 1.408 53.925 53.050 -0.888 0.000 0.720 183 N CB -1.011 36.582 38.487 -1.489 0.000 0.930 183 N HN 0.723 nan 8.380 nan 0.000 0.543 184 Q N -0.994 118.656 119.800 -0.249 0.000 2.189 184 Q HA 0.151 4.491 4.340 -0.000 0.000 0.223 184 Q C -0.292 175.644 176.000 -0.107 0.000 0.828 184 Q CA -0.057 55.666 55.803 -0.134 0.000 0.967 184 Q CB 0.507 29.218 28.738 -0.044 0.000 1.139 184 Q HN 0.617 nan 8.270 nan 0.000 0.497 185 Q N 0.641 120.359 119.800 -0.135 0.000 2.214 185 Q HA 0.264 4.604 4.340 -0.000 0.000 0.251 185 Q C -0.483 175.455 176.000 -0.104 0.000 0.936 185 Q CA -0.723 55.023 55.803 -0.095 0.000 0.894 185 Q CB 0.745 29.431 28.738 -0.086 0.000 1.252 185 Q HN -0.110 nan 8.270 nan 0.000 0.448 186 N N 1.893 120.554 118.700 -0.066 0.000 2.399 186 N HA 0.071 4.811 4.740 -0.000 0.000 0.259 186 N C -0.625 174.859 175.510 -0.043 0.000 1.160 186 N CA 0.117 53.135 53.050 -0.052 0.000 0.946 186 N CB 0.309 38.777 38.487 -0.032 0.000 1.156 186 N HN 0.608 nan 8.380 nan 0.000 0.489 187 L N 2.147 123.344 121.223 -0.043 0.000 2.791 187 L HA 0.285 4.625 4.340 -0.000 0.000 0.239 187 L C -0.038 176.834 176.870 0.003 0.000 1.203 187 L CA -0.297 54.529 54.840 -0.024 0.000 1.002 187 L CB -0.418 41.624 42.059 -0.028 0.000 1.295 187 L HN 0.434 nan 8.230 nan 0.000 0.504 188 N N 1.086 119.787 118.700 0.003 0.000 2.473 188 N HA 0.562 5.302 4.740 -0.000 0.000 0.291 188 N C 0.526 176.044 175.510 0.014 0.000 1.083 188 N CA 0.478 53.536 53.050 0.014 0.000 0.951 188 N CB 1.996 40.490 38.487 0.013 0.000 1.164 188 N HN 0.199 nan 8.380 nan 0.000 0.480 189 G N 1.542 110.354 108.800 0.021 0.000 2.725 189 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 189 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 189 G C -3.002 171.912 174.900 0.024 0.000 1.357 189 G CA -1.005 44.106 45.100 0.020 0.000 0.866 189 G HN 0.476 nan 8.290 nan 0.000 0.548 190 P HA 0.523 nan 4.420 nan 0.000 0.275 190 P C -0.133 177.178 177.300 0.019 0.000 1.227 190 P CA -0.039 63.075 63.100 0.023 0.000 0.781 190 P CB 0.766 32.476 31.700 0.018 0.000 0.906 191 L N 1.717 122.954 121.223 0.024 0.000 2.342 191 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 191 L C 0.753 177.633 176.870 0.016 0.000 1.008 191 L CA -0.835 54.016 54.840 0.018 0.000 0.818 191 L CB 1.675 43.747 42.059 0.021 0.000 1.296 191 L HN 0.229 nan 8.230 nan 0.000 0.427 192 T N -0.188 114.373 114.554 0.010 0.000 2.940 192 T HA -0.069 4.280 4.350 -0.000 0.000 0.309 192 T C 0.859 175.566 174.700 0.012 0.000 1.056 192 T CA 0.005 62.111 62.100 0.009 0.000 1.137 192 T CB 0.965 69.836 68.868 0.006 0.000 0.976 192 T HN 0.739 nan 8.240 nan 0.000 0.547 193 D N 2.149 122.555 120.400 0.009 0.000 2.149 193 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 193 D C 2.016 178.327 176.300 0.018 0.000 1.001 193 D CA 1.705 55.711 54.000 0.010 0.000 0.849 193 D CB 0.039 40.838 40.800 -0.003 0.000 0.939 193 D HN 0.730 nan 8.370 nan 0.000 0.449 194 K N 0.160 120.567 120.400 0.012 0.000 2.147 194 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 194 K C 2.206 178.812 176.600 0.009 0.000 1.049 194 K CA 1.311 57.605 56.287 0.012 0.000 0.936 194 K CB -0.424 32.079 32.500 0.006 0.000 0.722 194 K HN 0.284 nan 8.250 nan 0.000 0.446 195 I N 1.253 121.826 120.570 0.005 0.000 2.286 195 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 195 I C 2.167 178.277 176.117 -0.011 0.000 1.115 195 I CA 1.185 62.478 61.300 -0.012 0.000 1.392 195 I CB -0.148 37.843 38.000 -0.015 0.000 1.065 195 I HN 0.146 nan 8.210 nan 0.000 0.418 196 L N -0.294 120.951 121.223 0.036 0.000 2.463 196 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 196 L C 2.533 179.518 176.870 0.192 0.000 1.088 196 L CA 0.148 55.051 54.840 0.104 0.000 0.849 196 L CB -0.244 41.936 42.059 0.201 0.000 1.012 196 L HN 0.121 nan 8.230 nan 0.000 0.468 197 R N 1.050 121.625 120.500 0.124 0.000 2.096 197 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 197 R C 2.142 178.536 176.300 0.156 0.000 1.127 197 R CA 1.411 57.597 56.100 0.144 0.000 0.968 197 R CB -0.556 29.786 30.300 0.070 0.000 0.861 197 R HN 0.160 nan 8.270 nan 0.000 0.440 198 L N 0.266 121.532 121.223 0.072 0.000 2.013 198 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 198 L C 2.144 179.011 176.870 -0.006 0.000 1.073 198 L CA 2.535 57.384 54.840 0.014 0.000 0.753 198 L CB -1.316 40.725 42.059 -0.030 0.000 0.890 198 L HN 0.340 nan 8.230 nan 0.000 0.432 199 G N -1.895 106.920 108.800 0.024 0.000 2.440 199 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.218 199 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.218 199 G C 1.597 176.647 174.900 0.250 0.000 1.154 199 G CA 1.038 46.169 45.100 0.053 0.000 0.767 199 G HN 0.566 nan 8.290 nan 0.000 0.552 200 Y N 1.825 122.284 120.300 0.264 0.000 2.145 200 Y HA -0.141 4.409 4.550 0.000 0.000 0.286 200 Y C 2.431 178.337 175.900 0.010 0.000 1.145 200 Y CA 2.117 60.283 58.100 0.110 0.000 1.148 200 Y CB -0.140 38.347 38.460 0.044 0.000 0.981 200 Y HN 0.183 nan 8.280 nan 0.000 0.507 201 D N -0.142 120.246 120.400 -0.020 0.000 2.117 201 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 201 D C 2.276 178.455 176.300 -0.202 0.000 0.987 201 D CA 1.385 55.315 54.000 -0.116 0.000 0.829 201 D CB -0.263 40.547 40.800 0.017 0.000 0.961 201 D HN 0.374 nan 8.370 nan 0.000 0.460 202 R N -0.224 120.147 120.500 -0.215 0.000 2.091 202 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 202 R C 2.219 178.375 176.300 -0.240 0.000 1.136 202 R CA 1.244 57.153 56.100 -0.318 0.000 0.959 202 R CB -0.255 29.622 30.300 -0.705 0.000 0.856 202 R HN 0.130 nan 8.270 nan 0.000 0.437 203 M N 0.123 119.585 119.600 -0.230 0.000 2.200 203 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 203 M C 2.066 178.212 176.300 -0.257 0.000 1.066 203 M CA 1.664 56.852 55.300 -0.186 0.000 1.127 203 M CB -0.047 32.469 32.600 -0.139 0.000 1.379 203 M HN 0.168 nan 8.290 nan 0.000 0.420 204 A N -0.321 122.238 122.820 -0.435 0.000 1.930 204 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 204 A C 2.309 179.770 177.584 -0.206 0.000 1.175 204 A CA 1.728 53.522 52.037 -0.405 0.000 0.627 204 A CB -1.270 17.353 19.000 -0.629 0.000 0.815 204 A HN 0.598 nan 8.150 nan 0.000 0.443 205 A N 0.037 122.758 122.820 -0.164 0.000 1.930 205 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 205 A C 2.094 179.649 177.584 -0.049 0.000 1.175 205 A CA 1.434 53.424 52.037 -0.079 0.000 0.627 205 A CB -0.559 18.413 19.000 -0.045 0.000 0.815 205 A HN 0.502 nan 8.150 nan 0.000 0.443 206 I N -1.024 119.516 120.570 -0.050 0.000 2.142 206 I HA -0.255 3.915 4.170 -0.000 0.000 0.240 206 I C 2.674 178.756 176.117 -0.057 0.000 1.078 206 I CA 1.740 63.021 61.300 -0.032 0.000 1.343 206 I CB -0.321 37.667 38.000 -0.020 0.000 1.046 206 I HN 0.292 nan 8.210 nan 0.000 0.405 207 R N 1.623 122.073 120.500 -0.083 0.000 2.096 207 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 207 R C 1.793 178.056 176.300 -0.063 0.000 1.139 207 R CA 2.044 58.096 56.100 -0.081 0.000 0.952 207 R CB -0.871 29.371 30.300 -0.097 0.000 0.854 207 R HN 0.303 nan 8.270 nan 0.000 0.436 208 D N -0.060 120.303 120.400 -0.062 0.000 2.123 208 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 208 D C 1.687 177.967 176.300 -0.033 0.000 0.992 208 D CA 1.792 55.766 54.000 -0.044 0.000 0.833 208 D CB -0.400 40.375 40.800 -0.041 0.000 0.954 208 D HN 0.407 nan 8.370 nan 0.000 0.455 209 A N 0.663 123.465 122.820 -0.030 0.000 1.855 209 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 209 A C 2.436 180.003 177.584 -0.027 0.000 1.191 209 A CA 2.276 54.300 52.037 -0.022 0.000 0.613 209 A CB -0.759 18.234 19.000 -0.012 0.000 0.829 209 A HN 0.235 nan 8.150 nan 0.000 0.442 210 V N -3.422 116.469 119.914 -0.038 0.000 3.235 210 V HA 0.489 4.609 4.120 -0.000 0.000 0.259 210 V C 1.307 177.373 176.094 -0.046 0.000 1.133 210 V CA 0.592 62.865 62.300 -0.045 0.000 1.128 210 V CB -1.465 30.321 31.823 -0.061 0.000 0.757 210 V HN 1.840 nan 8.190 nan 0.000 0.469 211 G N 1.154 109.927 108.800 -0.044 0.000 2.725 211 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 211 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 211 G C -1.355 173.517 174.900 -0.048 0.000 1.357 211 G CA -0.053 45.023 45.100 -0.041 0.000 0.866 211 G HN 0.378 nan 8.290 nan 0.000 0.548 212 P HA 0.157 nan 4.420 nan 0.000 0.231 212 P C 0.519 177.790 177.300 -0.050 0.000 1.168 212 P CA 1.312 64.387 63.100 -0.041 0.000 0.779 212 P CB 0.213 31.896 31.700 -0.028 0.000 0.844 213 D N -0.483 119.884 120.400 -0.054 0.000 2.340 213 D HA 0.090 4.730 4.640 -0.000 0.000 0.217 213 D C 0.168 176.413 176.300 -0.092 0.000 1.081 213 D CA 0.193 54.156 54.000 -0.062 0.000 0.842 213 D CB 0.738 41.510 40.800 -0.046 0.000 0.934 213 D HN 0.046 nan 8.370 nan 0.000 0.511 214 V N 1.962 121.814 119.914 -0.104 0.000 2.370 214 V HA 0.132 4.252 4.120 -0.000 0.000 0.283 214 V C 0.169 176.147 176.094 -0.194 0.000 1.023 214 V CA -0.906 61.310 62.300 -0.140 0.000 0.857 214 V CB 2.189 33.945 31.823 -0.112 0.000 0.985 214 V HN -0.082 nan 8.190 nan 0.000 0.443 215 D N 4.496 124.710 120.400 -0.309 0.000 2.345 215 D HA 0.434 5.074 4.640 -0.000 0.000 0.247 215 D C -0.340 175.752 176.300 -0.347 0.000 1.108 215 D CA 0.231 53.967 54.000 -0.439 0.000 0.894 215 D CB 2.098 42.271 40.800 -1.045 0.000 1.203 215 D HN 0.326 nan 8.370 nan 0.000 0.430 216 I N 2.742 123.167 120.570 -0.242 0.000 2.418 216 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 216 I C -0.073 175.928 176.117 -0.194 0.000 1.008 216 I CA -0.610 60.568 61.300 -0.203 0.000 1.104 216 I CB 1.549 39.469 38.000 -0.133 0.000 1.264 216 I HN 0.078 nan 8.210 nan 0.000 0.438 217 I N 5.643 126.029 120.570 -0.306 0.000 2.331 217 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 217 I C 0.440 176.461 176.117 -0.160 0.000 0.998 217 I CA -0.390 60.700 61.300 -0.351 0.000 1.267 217 I CB 1.629 39.209 38.000 -0.699 0.000 1.386 217 I HN 0.583 nan 8.210 nan 0.000 0.476 218 A N 5.512 128.327 122.820 -0.008 0.000 2.269 218 A HA 0.486 4.806 4.320 -0.000 0.000 0.302 218 A C -0.281 177.401 177.584 0.162 0.000 1.266 218 A CA -0.357 51.767 52.037 0.146 0.000 0.894 218 A CB 0.432 19.597 19.000 0.276 0.000 1.147 218 A HN 0.728 nan 8.150 nan 0.000 0.537 219 E N 2.761 122.998 120.200 0.062 0.000 2.179 219 E HA 0.545 4.895 4.350 -0.000 0.000 0.275 219 E C 0.070 176.608 176.600 -0.103 0.000 0.945 219 E CA -0.490 55.863 56.400 -0.078 0.000 0.792 219 E CB 0.813 30.412 29.700 -0.168 0.000 1.125 219 E HN 0.462 nan 8.360 nan 0.000 0.397 220 M N 2.044 121.513 119.600 -0.218 0.000 2.304 220 M HA 0.150 4.630 4.480 -0.000 0.000 0.281 220 M C -0.073 176.041 176.300 -0.310 0.000 1.014 220 M CA 0.205 55.396 55.300 -0.182 0.000 1.054 220 M CB -1.104 31.389 32.600 -0.179 0.000 1.551 220 M HN 0.863 nan 8.290 nan 0.000 0.548 221 H N 0.703 119.537 119.070 -0.393 0.000 3.010 221 H HA -0.155 4.401 4.556 -0.000 0.000 0.272 221 H C 0.792 175.764 175.328 -0.594 0.000 1.151 221 H CA 0.636 56.294 56.048 -0.651 0.000 1.159 221 H CB -1.762 27.136 29.762 -1.441 0.000 1.295 221 H HN 0.571 nan 8.280 nan 0.000 0.344 222 A N -0.927 121.753 122.820 -0.234 0.000 2.640 222 A HA -0.269 4.051 4.320 -0.000 0.000 0.300 222 A C 1.065 178.696 177.584 0.080 0.000 1.499 222 A CA 1.447 53.435 52.037 -0.082 0.000 0.759 222 A CB -1.991 16.985 19.000 -0.040 0.000 1.048 222 A HN 0.456 nan 8.150 nan 0.000 0.450 223 F N 0.124 120.078 119.950 0.008 0.000 2.619 223 F HA 0.100 4.627 4.527 -0.000 0.000 0.293 223 F C 1.934 177.703 175.800 -0.051 0.000 1.119 223 F CA 1.009 58.986 58.000 -0.038 0.000 1.445 223 F CB -0.784 38.155 39.000 -0.101 0.000 1.119 223 F HN 0.508 nan 8.300 nan 0.000 0.573 224 T N -0.577 114.053 114.554 0.127 0.000 2.849 224 T HA 0.377 4.727 4.350 -0.000 0.000 0.284 224 T C -0.081 174.651 174.700 0.054 0.000 1.004 224 T CA -0.782 61.357 62.100 0.065 0.000 1.021 224 T CB 1.665 70.563 68.868 0.049 0.000 1.013 224 T HN 0.093 nan 8.240 nan 0.000 0.527 225 D N -0.408 120.020 120.400 0.047 0.000 2.588 225 D HA 0.281 4.921 4.640 -0.000 0.000 0.268 225 D C 1.264 177.591 176.300 0.044 0.000 1.176 225 D CA -0.742 53.281 54.000 0.040 0.000 1.080 225 D CB -0.282 40.538 40.800 0.035 0.000 1.186 225 D HN 0.398 nan 8.370 nan 0.000 0.619 226 T N -0.529 114.049 114.554 0.041 0.000 2.665 226 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 226 T C 1.763 176.499 174.700 0.061 0.000 1.035 226 T CA 2.539 64.667 62.100 0.048 0.000 1.151 226 T CB -0.647 68.244 68.868 0.038 0.000 0.862 226 T HN 0.528 nan 8.240 nan 0.000 0.438 227 T N 2.153 116.739 114.554 0.052 0.000 2.737 227 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 227 T C 2.540 177.284 174.700 0.073 0.000 1.038 227 T CA 1.627 63.759 62.100 0.054 0.000 1.144 227 T CB -0.464 68.427 68.868 0.039 0.000 0.866 227 T HN 0.613 nan 8.240 nan 0.000 0.434 228 S N 2.005 117.750 115.700 0.076 0.000 2.406 228 S HA 0.109 4.579 4.470 -0.000 0.000 0.228 228 S C 2.444 177.143 174.600 0.165 0.000 1.020 228 S CA 0.769 59.028 58.200 0.099 0.000 0.965 228 S CB -0.618 62.622 63.200 0.067 0.000 0.798 228 S HN 0.481 nan 8.310 nan 0.000 0.488 229 A N 2.134 125.048 122.820 0.158 0.000 1.908 229 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 229 A C 2.194 179.969 177.584 0.318 0.000 1.181 229 A CA 1.522 53.707 52.037 0.246 0.000 0.627 229 A CB -0.848 18.227 19.000 0.125 0.000 0.818 229 A HN 0.571 nan 8.150 nan 0.000 0.445 230 I N -0.920 119.767 120.570 0.195 0.000 2.252 230 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 230 I C 2.805 178.989 176.117 0.112 0.000 1.102 230 I CA 1.726 63.112 61.300 0.144 0.000 1.385 230 I CB -0.302 37.752 38.000 0.090 0.000 1.064 230 I HN 0.518 nan 8.210 nan 0.000 0.414 231 Q N 0.480 120.353 119.800 0.123 0.000 2.050 231 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 231 Q C 2.278 178.355 176.000 0.129 0.000 0.980 231 Q CA 1.866 57.727 55.803 0.098 0.000 0.840 231 Q CB -0.121 28.676 28.738 0.099 0.000 0.898 231 Q HN 0.416 nan 8.270 nan 0.000 0.424 232 F N 0.339 120.322 119.950 0.055 0.000 2.113 232 F HA 0.003 4.529 4.527 -0.000 0.000 0.297 232 F C 1.983 177.771 175.800 -0.020 0.000 1.103 232 F CA 1.805 59.838 58.000 0.055 0.000 1.248 232 F CB -0.827 38.247 39.000 0.124 0.000 0.999 232 F HN 0.143 nan 8.300 nan 0.000 0.475 233 G N 0.265 109.006 108.800 -0.098 0.000 2.440 233 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 233 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 233 G C 1.901 176.589 174.900 -0.352 0.000 1.154 233 G CA 0.774 45.589 45.100 -0.475 0.000 0.767 233 G HN 0.307 nan 8.290 nan 0.000 0.552 234 R N -0.547 119.844 120.500 -0.182 0.000 2.096 234 R HA 0.061 4.401 4.340 -0.000 0.000 0.235 234 R C 2.739 178.929 176.300 -0.183 0.000 1.127 234 R CA 1.258 57.271 56.100 -0.144 0.000 0.968 234 R CB -0.327 29.926 30.300 -0.079 0.000 0.861 234 R HN 0.394 nan 8.270 nan 0.000 0.440 235 M N 0.405 119.869 119.600 -0.226 0.000 2.132 235 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 235 M C 2.208 178.381 176.300 -0.211 0.000 1.065 235 M CA 1.578 56.721 55.300 -0.260 0.000 1.122 235 M CB -0.196 32.257 32.600 -0.245 0.000 1.365 235 M HN 0.197 nan 8.290 nan 0.000 0.411 236 I N -3.127 117.237 120.570 -0.343 0.000 3.793 236 I HA 0.065 4.235 4.170 -0.000 0.000 0.315 236 I C 1.460 177.454 176.117 -0.204 0.000 1.275 236 I CA 0.368 61.509 61.300 -0.266 0.000 1.214 236 I CB -0.422 37.270 38.000 -0.513 0.000 1.018 236 I HN 0.196 nan 8.210 nan 0.000 0.439 237 E N 2.518 122.597 120.200 -0.203 0.000 2.097 237 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 237 E C 1.906 178.452 176.600 -0.089 0.000 1.000 237 E CA 2.320 58.630 56.400 -0.150 0.000 0.804 237 E CB -0.129 29.496 29.700 -0.126 0.000 0.740 237 E HN 0.797 nan 8.360 nan 0.000 0.454 238 E N 0.483 120.649 120.200 -0.058 0.000 2.333 238 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 238 E C 1.671 178.257 176.600 -0.022 0.000 1.007 238 E CA 0.721 57.106 56.400 -0.025 0.000 0.845 238 E CB -0.213 29.488 29.700 0.002 0.000 0.766 238 E HN 0.308 nan 8.360 nan 0.000 0.507 239 L N 0.467 121.665 121.223 -0.041 0.000 2.591 239 L HA 0.211 4.551 4.340 -0.000 0.000 0.228 239 L C 1.006 177.839 176.870 -0.061 0.000 1.133 239 L CA 0.249 55.052 54.840 -0.061 0.000 0.880 239 L CB -0.282 41.714 42.059 -0.105 0.000 1.033 239 L HN 0.368 nan 8.230 nan 0.000 0.450 240 G N 1.629 110.398 108.800 -0.051 0.000 2.368 240 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.290 240 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.290 240 G C -0.080 174.809 174.900 -0.018 0.000 1.098 240 G CA -0.516 44.567 45.100 -0.029 0.000 1.073 240 G HN 0.102 nan 8.290 nan 0.000 0.511 241 I N 0.619 121.168 120.570 -0.036 0.000 2.441 241 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 241 I C 1.610 177.757 176.117 0.050 0.000 1.049 241 I CA -0.664 60.620 61.300 -0.028 0.000 1.381 241 I CB 0.655 38.601 38.000 -0.092 0.000 1.409 241 I HN 0.160 nan 8.210 nan 0.000 0.523 242 F N 7.632 127.492 119.950 -0.150 0.000 2.074 242 F HA -0.100 4.427 4.527 -0.000 0.000 0.293 242 F C 0.482 176.276 175.800 -0.011 0.000 1.116 242 F CA 1.091 59.007 58.000 -0.140 0.000 1.212 242 F CB 0.055 38.870 39.000 -0.308 0.000 0.998 242 F HN 0.507 nan 8.300 nan 0.000 0.471 243 Y N -4.031 116.265 120.300 -0.006 0.000 2.689 243 Y HA 0.485 5.035 4.550 -0.000 0.000 0.333 243 Y C -1.813 174.142 175.900 0.092 0.000 1.190 243 Y CA -2.384 55.693 58.100 -0.037 0.000 1.063 243 Y CB 0.263 38.642 38.460 -0.136 0.000 1.294 243 Y HN -0.101 nan 8.280 nan 0.000 0.466 244 Y N 2.073 122.473 120.300 0.168 0.000 2.388 244 Y HA 0.425 4.975 4.550 -0.000 0.000 0.328 244 Y C -0.602 175.360 175.900 0.104 0.000 0.963 244 Y CA -1.878 56.275 58.100 0.089 0.000 1.240 244 Y CB 1.135 39.630 38.460 0.059 0.000 1.118 244 Y HN 0.839 nan 8.280 nan 0.000 0.484 245 E N 4.581 124.814 120.200 0.054 0.000 2.197 245 E HA 0.233 4.583 4.350 -0.000 0.000 0.281 245 E C -0.495 175.985 176.600 -0.200 0.000 0.995 245 E CA -0.276 56.112 56.400 -0.020 0.000 0.808 245 E CB 0.572 30.308 29.700 0.061 0.000 1.093 245 E HN 0.741 nan 8.360 nan 0.000 0.394 246 E N 3.043 123.130 120.200 -0.188 0.000 2.199 246 E HA -0.170 4.179 4.350 -0.000 0.000 0.208 246 E C -1.778 174.661 176.600 -0.269 0.000 1.310 246 E CA 0.143 56.416 56.400 -0.211 0.000 0.709 246 E CB -0.493 29.099 29.700 -0.180 0.000 1.127 246 E HN 0.579 nan 8.360 nan 0.000 0.354 247 P HA -0.083 nan 4.420 nan 0.000 0.220 247 P C 0.653 177.855 177.300 -0.163 0.000 1.148 247 P CA 1.013 63.870 63.100 -0.405 0.000 0.803 247 P CB 0.415 31.817 31.700 -0.497 0.000 0.782 248 V N -0.566 119.281 119.914 -0.113 0.000 3.178 248 V HA 0.386 4.506 4.120 -0.000 0.000 0.302 248 V C -0.407 175.663 176.094 -0.040 0.000 1.262 248 V CA -1.512 60.763 62.300 -0.042 0.000 1.030 248 V CB 2.233 34.054 31.823 -0.003 0.000 1.074 248 V HN -0.040 nan 8.190 nan 0.000 0.438 249 M N 5.038 124.632 119.600 -0.010 0.000 2.232 249 M HA 0.468 4.948 4.480 -0.000 0.000 0.321 249 M C -1.742 174.564 176.300 0.010 0.000 1.101 249 M CA -0.708 54.584 55.300 -0.014 0.000 1.181 249 M CB 0.576 33.183 32.600 0.011 0.000 1.432 249 M HN 0.472 nan 8.290 nan 0.000 0.457 250 P HA 0.096 nan 4.420 nan 0.000 0.249 250 P C 1.283 178.677 177.300 0.156 0.000 1.229 250 P CA 0.564 63.737 63.100 0.122 0.000 0.788 250 P CB 0.108 31.749 31.700 -0.099 0.000 1.072 251 L N -0.592 120.665 121.223 0.057 0.000 2.079 251 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 251 L C 1.224 178.104 176.870 0.016 0.000 1.081 251 L CA 1.143 56.001 54.840 0.030 0.000 0.752 251 L CB -0.698 41.372 42.059 0.018 0.000 0.896 251 L HN 0.085 nan 8.230 nan 0.000 0.433 252 N N -0.341 118.367 118.700 0.015 0.000 2.558 252 N HA 0.179 4.919 4.740 -0.000 0.000 0.242 252 N C -2.027 173.454 175.510 -0.049 0.000 0.979 252 N CA -2.121 50.913 53.050 -0.025 0.000 0.931 252 N CB 1.522 39.999 38.487 -0.016 0.000 1.122 252 N HN -0.210 nan 8.380 nan 0.000 0.508 253 P HA -0.061 nan 4.420 nan 0.000 0.221 253 P C 0.843 178.002 177.300 -0.235 0.000 1.145 253 P CA 0.822 63.667 63.100 -0.425 0.000 0.795 253 P CB 0.297 31.423 31.700 -0.956 0.000 0.775 254 A N -0.481 122.251 122.820 -0.147 0.000 2.019 254 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 254 A C 2.170 179.738 177.584 -0.027 0.000 1.164 254 A CA 1.392 53.381 52.037 -0.080 0.000 0.644 254 A CB -0.922 18.042 19.000 -0.061 0.000 0.805 254 A HN 0.107 nan 8.150 nan 0.000 0.449 255 Q N -1.269 118.528 119.800 -0.006 0.000 2.046 255 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 255 Q C 2.018 178.046 176.000 0.047 0.000 0.975 255 Q CA 1.754 57.572 55.803 0.023 0.000 0.836 255 Q CB -0.638 28.118 28.738 0.030 0.000 0.896 255 Q HN 0.675 nan 8.270 nan 0.000 0.428 256 M N 1.009 120.661 119.600 0.086 0.000 2.108 256 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 256 M C 1.860 178.213 176.300 0.088 0.000 1.066 256 M CA 1.590 56.963 55.300 0.123 0.000 1.107 256 M CB -0.152 32.625 32.600 0.294 0.000 1.356 256 M HN -0.048 nan 8.290 nan 0.000 0.406 257 K N -0.241 120.190 120.400 0.052 0.000 2.097 257 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 257 K C 2.001 178.619 176.600 0.031 0.000 1.049 257 K CA 1.838 58.143 56.287 0.030 0.000 0.933 257 K CB -0.518 31.976 32.500 -0.011 0.000 0.717 257 K HN 0.471 nan 8.250 nan 0.000 0.442 258 Q N 0.002 119.819 119.800 0.027 0.000 2.084 258 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 258 Q C 1.810 177.838 176.000 0.046 0.000 0.978 258 Q CA 1.952 57.773 55.803 0.030 0.000 0.844 258 Q CB -0.281 28.471 28.738 0.025 0.000 0.898 258 Q HN 0.157 nan 8.270 nan 0.000 0.426 259 V N 0.771 120.723 119.914 0.062 0.000 2.295 259 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 259 V C 2.328 178.479 176.094 0.095 0.000 1.049 259 V CA 1.762 64.116 62.300 0.091 0.000 1.024 259 V CB -1.396 30.490 31.823 0.105 0.000 0.648 259 V HN 0.540 nan 8.190 nan 0.000 0.447 260 A N 0.066 122.934 122.820 0.081 0.000 1.908 260 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 260 A C 1.969 179.582 177.584 0.049 0.000 1.181 260 A CA 2.197 54.276 52.037 0.070 0.000 0.627 260 A CB -0.681 18.356 19.000 0.061 0.000 0.818 260 A HN 0.548 nan 8.150 nan 0.000 0.445 261 D N -0.389 120.034 120.400 0.039 0.000 2.178 261 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 261 D C 1.616 177.931 176.300 0.024 0.000 0.980 261 D CA 1.123 55.139 54.000 0.026 0.000 0.842 261 D CB -0.041 40.771 40.800 0.021 0.000 0.948 261 D HN 0.334 nan 8.370 nan 0.000 0.472 262 K N -0.159 120.261 120.400 0.033 0.000 2.354 262 K HA 0.188 4.508 4.320 -0.000 0.000 0.194 262 K C 0.056 176.668 176.600 0.020 0.000 1.038 262 K CA 0.060 56.362 56.287 0.025 0.000 1.052 262 K CB 1.616 34.135 32.500 0.031 0.000 0.861 262 K HN -0.005 nan 8.250 nan 0.000 0.535 263 V N 3.108 123.041 119.914 0.032 0.000 2.448 263 V HA 0.221 4.341 4.120 -0.000 0.000 0.295 263 V C -0.265 175.828 176.094 -0.003 0.000 1.025 263 V CA -0.919 61.385 62.300 0.007 0.000 0.859 263 V CB 1.663 33.514 31.823 0.047 0.000 0.988 263 V HN 0.109 nan 8.190 nan 0.000 0.431 264 N N 5.620 124.300 118.700 -0.034 0.000 3.259 264 N HA 0.412 5.152 4.740 -0.000 0.000 0.308 264 N C -0.650 174.837 175.510 -0.039 0.000 1.334 264 N CA 0.251 53.284 53.050 -0.028 0.000 1.202 264 N CB 0.227 38.696 38.487 -0.031 0.000 1.485 264 N HN 0.585 nan 8.380 nan 0.000 0.549 265 I N 0.246 120.801 120.570 -0.025 0.000 2.619 265 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 265 I C -2.401 173.743 176.117 0.046 0.000 1.100 265 I CA -2.357 58.934 61.300 -0.016 0.000 1.043 265 I CB 2.722 40.673 38.000 -0.082 0.000 1.239 265 I HN -0.185 nan 8.210 nan 0.000 0.420 266 P HA 0.142 nan 4.420 nan 0.000 0.264 266 P C -0.880 176.480 177.300 0.099 0.000 1.193 266 P CA 0.148 63.271 63.100 0.038 0.000 0.763 266 P CB 0.321 32.013 31.700 -0.014 0.000 0.810 267 L N 2.229 123.494 121.223 0.070 0.000 2.334 267 L HA 0.670 5.010 4.340 -0.000 0.000 0.277 267 L C 0.589 177.443 176.870 -0.026 0.000 1.075 267 L CA -0.727 54.157 54.840 0.074 0.000 0.804 267 L CB 1.168 43.262 42.059 0.058 0.000 1.174 267 L HN 0.352 nan 8.230 nan 0.000 0.438 268 A N 2.287 125.089 122.820 -0.030 0.000 2.374 268 A HA 0.965 5.285 4.320 -0.000 0.000 0.317 268 A C -0.715 176.806 177.584 -0.104 0.000 1.094 268 A CA -0.262 51.699 52.037 -0.127 0.000 0.765 268 A CB 1.841 20.731 19.000 -0.182 0.000 1.268 268 A HN 0.858 nan 8.150 nan 0.000 0.438 269 A N -0.255 122.486 122.820 -0.131 0.000 2.601 269 A HA 0.844 5.164 4.320 -0.000 0.000 0.291 269 A C 0.149 177.661 177.584 -0.119 0.000 1.075 269 A CA 0.140 52.077 52.037 -0.168 0.000 0.671 269 A CB 0.609 19.424 19.000 -0.309 0.000 1.277 269 A HN 2.496 nan 8.150 nan 0.000 0.417 270 G N -0.594 108.126 108.800 -0.134 0.000 3.942 270 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.219 270 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.219 270 G C 0.651 175.530 174.900 -0.035 0.000 0.869 270 G CA 0.899 45.978 45.100 -0.035 0.000 0.851 270 G HN 1.149 nan 8.290 nan 0.000 0.560 271 E N 0.634 120.784 120.200 -0.084 0.000 2.265 271 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 271 E C 1.595 178.148 176.600 -0.079 0.000 0.996 271 E CA 0.497 56.820 56.400 -0.128 0.000 0.832 271 E CB -0.082 29.319 29.700 -0.498 0.000 0.756 271 E HN 0.405 nan 8.360 nan 0.000 0.491 272 R N 0.604 120.974 120.500 -0.217 0.000 2.700 272 R HA 0.420 4.760 4.340 -0.000 0.000 0.377 272 R C -0.531 175.213 176.300 -0.926 0.000 1.130 272 R CA -0.174 55.710 56.100 -0.361 0.000 1.055 272 R CB 0.596 30.807 30.300 -0.149 0.000 1.387 272 R HN 0.137 nan 8.270 nan 0.000 0.580 273 I N 0.932 120.936 120.570 -0.944 0.000 2.447 273 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 273 I C -1.091 174.566 176.117 -0.766 0.000 1.023 273 I CA -1.100 59.580 61.300 -1.033 0.000 1.083 273 I CB 1.432 38.759 38.000 -1.123 0.000 1.245 273 I HN -0.027 nan 8.210 nan 0.000 0.434 274 Y N 4.888 125.091 120.300 -0.163 0.000 2.341 274 Y HA 0.586 5.136 4.550 -0.000 0.000 0.338 274 Y C -0.649 175.352 175.900 0.167 0.000 0.965 274 Y CA -1.148 56.910 58.100 -0.070 0.000 1.108 274 Y CB 0.935 39.120 38.460 -0.458 0.000 1.180 274 Y HN 0.456 nan 8.280 nan 0.000 0.458 275 W N 0.341 121.999 121.300 0.598 0.000 3.078 275 W HA -0.220 4.440 4.660 0.000 0.000 0.320 275 W C 1.134 177.968 176.519 0.524 0.000 0.239 275 W CA -1.410 56.299 57.345 0.606 0.000 0.459 275 W CB -0.410 29.548 29.460 0.830 0.000 2.859 275 W HN 0.725 nan 8.180 nan 0.000 0.416 276 R N -0.310 120.517 120.500 0.545 0.000 2.119 276 R HA -0.209 4.131 4.340 -0.000 0.000 0.246 276 R C 2.085 178.520 176.300 0.226 0.000 1.146 276 R CA 2.685 58.889 56.100 0.173 0.000 0.962 276 R CB -0.353 29.768 30.300 -0.298 0.000 0.863 276 R HN 0.498 nan 8.270 nan 0.000 0.442 277 W N -0.250 121.270 121.300 0.366 0.000 2.342 277 W HA -0.065 4.595 4.660 -0.000 0.000 0.297 277 W C 2.238 178.874 176.519 0.196 0.000 1.213 277 W CA 1.158 58.666 57.345 0.272 0.000 1.251 277 W CB -0.683 28.969 29.460 0.320 0.000 1.136 277 W HN 0.322 nan 8.180 nan 0.000 0.526 278 G N -0.882 108.171 108.800 0.422 0.000 2.408 278 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 278 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 278 G C 1.146 176.078 174.900 0.053 0.000 1.150 278 G CA 0.635 45.815 45.100 0.133 0.000 0.776 278 G HN 0.219 nan 8.290 nan 0.000 0.542 279 Y N 0.186 120.607 120.300 0.201 0.000 2.337 279 Y HA 0.083 4.633 4.550 -0.000 0.000 0.293 279 Y C 2.818 178.806 175.900 0.147 0.000 1.123 279 Y CA 0.925 59.127 58.100 0.171 0.000 1.201 279 Y CB -0.141 38.364 38.460 0.075 0.000 1.011 279 Y HN 0.037 nan 8.280 nan 0.000 0.545 280 R N 0.764 121.379 120.500 0.191 0.000 2.136 280 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 280 R C -0.818 175.457 176.300 -0.042 0.000 1.131 280 R CA 2.369 58.495 56.100 0.042 0.000 0.937 280 R CB -1.546 28.773 30.300 0.033 0.000 0.863 280 R HN 0.229 nan 8.270 nan 0.000 0.435 281 P HA -0.128 nan 4.420 nan 0.000 0.220 281 P C 0.921 177.998 177.300 -0.372 0.000 1.148 281 P CA 1.330 64.272 63.100 -0.262 0.000 0.803 281 P CB -0.193 31.264 31.700 -0.405 0.000 0.782 282 F N -0.620 119.272 119.950 -0.097 0.000 2.367 282 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 282 F C 2.482 178.203 175.800 -0.131 0.000 1.094 282 F CA 0.737 58.681 58.000 -0.093 0.000 1.409 282 F CB -0.961 37.993 39.000 -0.077 0.000 1.064 282 F HN -0.241 nan 8.300 nan 0.000 0.528 283 L N -0.435 120.746 121.223 -0.070 0.000 2.095 283 L HA -0.110 4.230 4.340 -0.000 0.000 0.204 283 L C 2.198 178.772 176.870 -0.493 0.000 1.080 283 L CA 1.267 55.851 54.840 -0.427 0.000 0.759 283 L CB -0.606 40.989 42.059 -0.775 0.000 0.914 283 L HN 0.106 nan 8.230 nan 0.000 0.439 284 E N 0.675 120.678 120.200 -0.328 0.000 2.150 284 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 284 E C 1.480 178.026 176.600 -0.091 0.000 0.985 284 E CA 1.291 57.590 56.400 -0.168 0.000 0.814 284 E CB -0.136 29.500 29.700 -0.107 0.000 0.752 284 E HN 0.565 nan 8.360 nan 0.000 0.466 285 N N -0.263 118.371 118.700 -0.110 0.000 2.353 285 N HA 0.002 4.742 4.740 -0.000 0.000 0.185 285 N C 1.132 176.628 175.510 -0.024 0.000 1.098 285 N CA 0.922 53.928 53.050 -0.074 0.000 0.872 285 N CB 0.536 38.952 38.487 -0.119 0.000 0.970 285 N HN 0.133 nan 8.380 nan 0.000 0.467 286 G N -0.284 108.510 108.800 -0.010 0.000 2.143 286 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 286 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 286 G C 0.936 175.862 174.900 0.044 0.000 0.991 286 G CA 0.839 45.956 45.100 0.028 0.000 0.689 286 G HN 0.705 nan 8.290 nan 0.000 0.522 287 S N -1.159 114.581 115.700 0.067 0.000 2.446 287 S HA 0.395 4.865 4.470 -0.000 0.000 0.225 287 S C 1.089 175.743 174.600 0.090 0.000 1.016 287 S CA 0.431 58.687 58.200 0.093 0.000 0.943 287 S CB 0.256 63.542 63.200 0.144 0.000 0.786 287 S HN 0.535 nan 8.310 nan 0.000 0.508 288 L N 1.491 122.769 121.223 0.092 0.000 2.325 288 L HA 0.452 4.792 4.340 -0.000 0.000 0.279 288 L C 0.725 177.599 176.870 0.007 0.000 1.054 288 L CA -0.513 54.347 54.840 0.034 0.000 0.804 288 L CB 1.804 43.875 42.059 0.020 0.000 1.200 288 L HN 0.106 nan 8.230 nan 0.000 0.436 289 S N 0.980 116.657 115.700 -0.039 0.000 2.499 289 S HA 0.165 4.635 4.470 -0.000 0.000 0.225 289 S C 0.258 174.778 174.600 -0.133 0.000 1.050 289 S CA 0.013 58.173 58.200 -0.067 0.000 0.928 289 S CB 0.720 63.875 63.200 -0.075 0.000 0.803 289 S HN 0.334 nan 8.310 nan 0.000 0.506 290 V N 3.500 123.285 119.914 -0.215 0.000 2.588 290 V HA 0.528 4.648 4.120 -0.000 0.000 0.304 290 V C -0.636 175.327 176.094 -0.217 0.000 1.042 290 V CA -1.001 61.105 62.300 -0.324 0.000 0.877 290 V CB 1.609 32.968 31.823 -0.773 0.000 0.996 290 V HN 0.390 nan 8.190 nan 0.000 0.425 291 I N 2.150 122.637 120.570 -0.139 0.000 2.460 291 I HA 0.668 4.838 4.170 -0.000 0.000 0.298 291 I C -0.212 175.889 176.117 -0.028 0.000 0.989 291 I CA -0.374 60.895 61.300 -0.051 0.000 1.173 291 I CB 1.703 39.667 38.000 -0.061 0.000 1.338 291 I HN 0.608 nan 8.210 nan 0.000 0.456 292 Q N 4.759 124.596 119.800 0.061 0.000 2.656 292 Q HA 0.360 4.700 4.340 -0.000 0.000 0.389 292 Q C -2.527 173.587 176.000 0.191 0.000 0.883 292 Q CA -1.768 54.105 55.803 0.118 0.000 1.056 292 Q CB 0.680 29.502 28.738 0.140 0.000 1.391 292 Q HN 0.526 nan 8.270 nan 0.000 0.399 293 P HA -0.080 nan 4.420 nan 0.000 0.268 293 P C -0.507 176.945 177.300 0.254 0.000 1.205 293 P CA 0.182 63.429 63.100 0.245 0.000 0.771 293 P CB 0.975 32.757 31.700 0.136 0.000 0.858 294 D N 2.522 123.107 120.400 0.307 0.000 2.249 294 D HA 0.134 4.774 4.640 -0.000 0.000 0.246 294 D C 1.416 177.881 176.300 0.274 0.000 1.114 294 D CA -0.428 53.773 54.000 0.335 0.000 0.854 294 D CB 0.812 41.868 40.800 0.426 0.000 1.132 294 D HN 0.217 nan 8.370 nan 0.000 0.461 295 I N 2.281 122.981 120.570 0.216 0.000 2.361 295 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 295 I C 2.118 178.357 176.117 0.202 0.000 1.133 295 I CA 0.673 62.082 61.300 0.182 0.000 1.413 295 I CB 0.036 38.106 38.000 0.117 0.000 1.073 295 I HN 0.458 nan 8.210 nan 0.000 0.424 296 C N -0.151 119.269 119.300 0.201 0.000 2.562 296 C HA 0.051 4.511 4.460 -0.000 0.000 0.266 296 C C 2.461 177.553 174.990 0.171 0.000 1.382 296 C CA 0.590 59.713 59.018 0.175 0.000 1.742 296 C CB -1.070 26.762 27.740 0.153 0.000 1.812 296 C HN 0.504 nan 8.230 nan 0.000 0.559 297 T N -1.500 113.186 114.554 0.219 0.000 3.058 297 T HA 0.018 4.368 4.350 -0.000 0.000 0.247 297 T C 1.199 176.063 174.700 0.273 0.000 0.987 297 T CA 0.592 62.807 62.100 0.192 0.000 1.062 297 T CB -0.077 68.923 68.868 0.219 0.000 1.048 297 T HN 0.474 nan 8.240 nan 0.000 0.468 298 C N 1.862 121.403 119.300 0.401 0.000 2.780 298 C HA 0.687 5.147 4.460 -0.000 0.000 0.287 298 C C 1.947 177.368 174.990 0.719 0.000 1.288 298 C CA -0.232 59.132 59.018 0.576 0.000 1.713 298 C CB -1.015 27.052 27.740 0.544 0.000 1.955 298 C HN 0.839 nan 8.230 nan 0.000 0.613 299 G N -0.540 108.649 108.800 0.649 0.000 2.870 299 G HA2 0.404 4.364 3.960 -0.000 0.000 0.216 299 G HA3 0.404 4.364 3.960 -0.000 0.000 0.216 299 G C 0.391 175.655 174.900 0.607 0.000 0.973 299 G CA 0.130 45.713 45.100 0.804 0.000 0.807 299 G HN 1.376 nan 8.290 nan 0.000 0.573 300 G N -0.509 108.526 108.800 0.391 0.000 2.698 300 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.225 300 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.225 300 G C 0.858 175.843 174.900 0.142 0.000 1.345 300 G CA -0.028 45.240 45.100 0.281 0.000 0.871 300 G HN 0.877 nan 8.290 nan 0.000 0.540 301 I N 0.437 121.018 120.570 0.018 0.000 2.233 301 I HA -0.114 4.056 4.170 -0.000 0.000 0.243 301 I C 3.099 179.058 176.117 -0.263 0.000 1.093 301 I CA 2.188 63.313 61.300 -0.292 0.000 1.380 301 I CB -0.579 36.923 38.000 -0.830 0.000 1.067 301 I HN 0.700 nan 8.210 nan 0.000 0.413 302 T N -0.137 114.420 114.554 0.006 0.000 2.665 302 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 302 T C 1.808 176.397 174.700 -0.185 0.000 1.035 302 T CA 1.986 64.129 62.100 0.072 0.000 1.151 302 T CB -0.213 68.747 68.868 0.153 0.000 0.862 302 T HN 0.298 nan 8.240 nan 0.000 0.438 303 E N 0.342 120.396 120.200 -0.242 0.000 2.140 303 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 303 E C 2.111 178.672 176.600 -0.065 0.000 0.973 303 E CA 0.362 56.589 56.400 -0.289 0.000 0.829 303 E CB -0.350 29.217 29.700 -0.222 0.000 0.781 303 E HN 0.223 nan 8.360 nan 0.000 0.466 304 V N 1.129 121.049 119.914 0.011 0.000 2.407 304 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 304 V C 2.301 178.355 176.094 -0.066 0.000 1.055 304 V CA 1.870 64.175 62.300 0.009 0.000 1.049 304 V CB -0.532 31.323 31.823 0.053 0.000 0.662 304 V HN 0.205 nan 8.190 nan 0.000 0.455 305 K N 1.136 121.472 120.400 -0.107 0.000 2.044 305 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 305 K C 2.031 178.576 176.600 -0.092 0.000 1.049 305 K CA 1.785 58.005 56.287 -0.113 0.000 0.927 305 K CB -0.351 32.060 32.500 -0.149 0.000 0.713 305 K HN 0.452 nan 8.250 nan 0.000 0.443 306 K N -0.038 120.300 120.400 -0.104 0.000 2.097 306 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 306 K C 2.198 178.743 176.600 -0.091 0.000 1.049 306 K CA 1.627 57.852 56.287 -0.102 0.000 0.933 306 K CB -0.273 32.136 32.500 -0.152 0.000 0.717 306 K HN 0.152 nan 8.250 nan 0.000 0.442 307 I N 1.127 121.639 120.570 -0.097 0.000 2.127 307 I HA -0.394 3.776 4.170 -0.000 0.000 0.241 307 I C 2.451 178.476 176.117 -0.153 0.000 1.075 307 I CA 1.193 62.403 61.300 -0.150 0.000 1.334 307 I CB -0.482 37.367 38.000 -0.252 0.000 1.040 307 I HN 0.260 nan 8.210 nan 0.000 0.405 308 C N 0.623 119.850 119.300 -0.122 0.000 2.413 308 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 308 C C 2.436 177.408 174.990 -0.030 0.000 1.248 308 C CA 0.752 59.722 59.018 -0.081 0.000 1.742 308 C CB -1.133 26.568 27.740 -0.066 0.000 2.017 308 C HN 0.539 nan 8.230 nan 0.000 0.481 309 D N 0.183 120.567 120.400 -0.028 0.000 2.117 309 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 309 D C 2.017 178.356 176.300 0.065 0.000 0.982 309 D CA 1.070 55.079 54.000 0.014 0.000 0.828 309 D CB -0.535 40.260 40.800 -0.008 0.000 0.967 309 D HN 0.488 nan 8.370 nan 0.000 0.464 310 M N 0.578 120.203 119.600 0.041 0.000 2.117 310 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 310 M C 2.011 178.430 176.300 0.199 0.000 1.065 310 M CA 1.494 56.852 55.300 0.096 0.000 1.114 310 M CB 0.083 32.716 32.600 0.054 0.000 1.361 310 M HN -0.003 nan 8.290 nan 0.000 0.408 311 A N -1.133 121.768 122.820 0.135 0.000 2.019 311 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 311 A C 1.740 179.459 177.584 0.226 0.000 1.164 311 A CA 1.980 54.122 52.037 0.175 0.000 0.644 311 A CB -1.126 17.894 19.000 0.033 0.000 0.805 311 A HN 0.702 nan 8.150 nan 0.000 0.449 312 H N 0.237 119.342 119.070 0.058 0.000 2.352 312 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 312 H C 1.828 177.154 175.328 -0.002 0.000 1.097 312 H CA 1.866 57.928 56.048 0.025 0.000 1.311 312 H CB -0.382 29.383 29.762 0.004 0.000 1.377 312 H HN 0.163 nan 8.280 nan 0.000 0.504 313 V N -0.227 119.653 119.914 -0.058 0.000 2.546 313 V HA -0.269 3.851 4.120 -0.000 0.000 0.254 313 V C 1.123 176.953 176.094 -0.441 0.000 1.076 313 V CA 1.812 63.934 62.300 -0.297 0.000 1.087 313 V CB -0.807 30.790 31.823 -0.376 0.000 0.674 313 V HN 0.489 nan 8.190 nan 0.000 0.470 314 Y N -0.941 119.333 120.300 -0.043 0.000 2.607 314 Y HA 0.329 4.879 4.550 -0.000 0.000 0.266 314 Y C 0.654 176.535 175.900 -0.031 0.000 1.178 314 Y CA -0.811 57.273 58.100 -0.027 0.000 1.226 314 Y CB -0.138 38.324 38.460 0.004 0.000 1.144 314 Y HN 0.223 nan 8.280 nan 0.000 0.528 315 D N 0.428 120.844 120.400 0.028 0.000 2.751 315 D HA -0.177 4.463 4.640 -0.000 0.000 0.233 315 D C -0.586 175.749 176.300 0.058 0.000 1.149 315 D CA 0.710 54.717 54.000 0.012 0.000 0.682 315 D CB -0.586 40.209 40.800 -0.009 0.000 1.068 315 D HN 0.163 nan 8.370 nan 0.000 0.429 316 K N 0.189 120.645 120.400 0.094 0.000 2.143 316 K HA 0.545 4.865 4.320 -0.000 0.000 0.272 316 K C 0.956 177.580 176.600 0.039 0.000 1.001 316 K CA -0.396 55.918 56.287 0.045 0.000 0.915 316 K CB 0.946 33.467 32.500 0.036 0.000 1.047 316 K HN 0.236 nan 8.250 nan 0.000 0.458 317 T N -2.426 112.109 114.554 -0.031 0.000 2.936 317 T HA 0.594 4.944 4.350 -0.000 0.000 0.282 317 T C 0.006 174.652 174.700 -0.089 0.000 1.003 317 T CA -0.870 61.202 62.100 -0.046 0.000 1.005 317 T CB 1.230 70.047 68.868 -0.084 0.000 1.097 317 T HN 0.150 nan 8.240 nan 0.000 0.532 318 V N 1.924 121.801 119.914 -0.063 0.000 2.487 318 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 318 V C -0.402 175.687 176.094 -0.009 0.000 1.028 318 V CA -0.764 61.520 62.300 -0.026 0.000 0.860 318 V CB 1.466 33.315 31.823 0.042 0.000 0.991 318 V HN 0.982 nan 8.190 nan 0.000 0.427 319 Q N 5.115 124.917 119.800 0.003 0.000 2.381 319 Q HA 0.355 4.695 4.340 -0.000 0.000 0.263 319 Q C -0.770 175.315 176.000 0.142 0.000 1.030 319 Q CA -0.772 55.096 55.803 0.108 0.000 0.772 319 Q CB 1.319 30.166 28.738 0.181 0.000 1.232 319 Q HN 0.613 nan 8.270 nan 0.000 0.476 320 I N 4.022 124.690 120.570 0.163 0.000 2.826 320 I HA -0.117 4.053 4.170 -0.000 0.000 0.295 320 I C 0.893 177.084 176.117 0.123 0.000 1.213 320 I CA 0.604 61.985 61.300 0.135 0.000 1.436 320 I CB -0.244 37.825 38.000 0.115 0.000 1.348 320 I HN 0.607 nan 8.210 nan 0.000 0.570 321 H N 6.686 125.826 119.070 0.116 0.000 2.767 321 H HA 0.317 4.873 4.556 -0.000 0.000 0.316 321 H C -1.296 174.126 175.328 0.158 0.000 1.059 321 H CA -0.188 55.952 56.048 0.152 0.000 1.461 321 H CB 0.980 30.861 29.762 0.199 0.000 1.475 321 H HN 0.295 nan 8.280 nan 0.000 0.531 322 V N 6.237 125.911 119.914 -0.400 0.000 2.447 322 V HA 0.138 4.258 4.120 -0.000 0.000 0.292 322 V C -0.351 175.676 176.094 -0.111 0.000 1.021 322 V CA -0.664 61.544 62.300 -0.153 0.000 0.850 322 V CB 1.248 33.020 31.823 -0.086 0.000 1.005 322 V HN 0.890 nan 8.190 nan 0.000 0.426 323 C N 4.584 123.907 119.300 0.038 0.000 3.392 323 C HA 0.781 5.241 4.460 -0.000 0.000 0.217 323 C C 0.659 175.953 174.990 0.508 0.000 1.222 323 C CA 0.401 59.533 59.018 0.190 0.000 1.200 323 C CB -0.774 26.985 27.740 0.032 0.000 1.818 323 C HN 1.106 nan 8.230 nan 0.000 0.586 324 G N 0.987 110.106 108.800 0.530 0.000 2.896 324 G HA2 0.699 4.659 3.960 -0.000 0.000 0.247 324 G HA3 0.699 4.659 3.960 -0.000 0.000 0.247 324 G C 0.167 175.436 174.900 0.615 0.000 1.187 324 G CA 0.305 45.694 45.100 0.481 0.000 0.837 324 G HN 0.824 nan 8.290 nan 0.000 0.559 325 G N -0.587 108.448 108.800 0.391 0.000 2.535 325 G HA2 0.487 4.446 3.960 -0.000 0.000 0.282 325 G HA3 0.487 4.446 3.960 -0.000 0.000 0.282 325 G C -1.332 173.737 174.900 0.282 0.000 1.350 325 G CA -0.512 44.812 45.100 0.372 0.000 1.039 325 G HN 0.298 nan 8.290 nan 0.000 0.509 326 P HA -0.091 nan 4.420 nan 0.000 0.217 326 P C 1.888 179.305 177.300 0.195 0.000 1.148 326 P CA 0.819 64.044 63.100 0.208 0.000 0.828 326 P CB 0.121 31.933 31.700 0.187 0.000 0.783 327 I N -1.320 119.359 120.570 0.181 0.000 2.226 327 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 327 I C 2.464 178.677 176.117 0.161 0.000 1.100 327 I CA 1.478 62.880 61.300 0.170 0.000 1.374 327 I CB -0.707 37.394 38.000 0.168 0.000 1.057 327 I HN 0.024 nan 8.210 nan 0.000 0.413 328 S N 0.185 115.986 115.700 0.168 0.000 2.353 328 S HA -0.217 4.253 4.470 -0.000 0.000 0.222 328 S C 2.091 176.774 174.600 0.139 0.000 1.035 328 S CA 2.354 60.651 58.200 0.162 0.000 1.025 328 S CB -0.315 62.999 63.200 0.190 0.000 0.902 328 S HN 0.424 nan 8.310 nan 0.000 0.440 329 T N 2.150 116.788 114.554 0.139 0.000 2.665 329 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 329 T C 1.998 176.688 174.700 -0.016 0.000 1.035 329 T CA 1.539 63.687 62.100 0.081 0.000 1.151 329 T CB -0.801 68.111 68.868 0.074 0.000 0.862 329 T HN 0.536 nan 8.240 nan 0.000 0.438 330 A N 1.506 124.341 122.820 0.024 0.000 1.865 330 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 330 A C 2.709 180.328 177.584 0.059 0.000 1.191 330 A CA 2.257 54.279 52.037 -0.026 0.000 0.623 330 A CB -1.249 17.811 19.000 0.099 0.000 0.826 330 A HN 0.527 nan 8.150 nan 0.000 0.444 331 V N -2.154 117.842 119.914 0.135 0.000 2.407 331 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 331 V C 2.525 178.669 176.094 0.084 0.000 1.055 331 V CA 2.012 64.398 62.300 0.144 0.000 1.049 331 V CB -1.575 30.306 31.823 0.096 0.000 0.662 331 V HN 0.592 nan 8.190 nan 0.000 0.455 332 A N 0.962 123.821 122.820 0.066 0.000 1.883 332 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 332 A C 2.283 179.866 177.584 -0.003 0.000 1.186 332 A CA 2.326 54.405 52.037 0.070 0.000 0.624 332 A CB -0.791 18.292 19.000 0.138 0.000 0.822 332 A HN 0.606 nan 8.150 nan 0.000 0.444 333 L N -1.305 119.834 121.223 -0.141 0.000 2.042 333 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 333 L C 2.728 179.407 176.870 -0.318 0.000 1.076 333 L CA 1.583 56.212 54.840 -0.352 0.000 0.749 333 L CB -0.910 40.806 42.059 -0.572 0.000 0.893 333 L HN 0.511 nan 8.230 nan 0.000 0.432 334 H N -1.081 117.906 119.070 -0.138 0.000 2.321 334 H HA -0.195 4.361 4.556 -0.000 0.000 0.300 334 H C 2.229 177.509 175.328 -0.081 0.000 1.087 334 H CA 1.922 57.930 56.048 -0.067 0.000 1.319 334 H CB -0.160 29.583 29.762 -0.032 0.000 1.379 334 H HN 0.243 nan 8.280 nan 0.000 0.501 335 M N 1.315 120.933 119.600 0.030 0.000 2.108 335 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 335 M C 1.860 178.122 176.300 -0.063 0.000 1.066 335 M CA 1.670 56.953 55.300 -0.029 0.000 1.107 335 M CB -0.092 32.493 32.600 -0.025 0.000 1.356 335 M HN 0.155 nan 8.290 nan 0.000 0.406 336 E N -1.569 118.555 120.200 -0.126 0.000 2.274 336 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 336 E C 1.704 178.042 176.600 -0.437 0.000 0.996 336 E CA 1.406 57.622 56.400 -0.306 0.000 0.840 336 E CB -0.076 29.331 29.700 -0.490 0.000 0.772 336 E HN 0.539 nan 8.360 nan 0.000 0.491 337 T N 0.396 114.767 114.554 -0.305 0.000 2.896 337 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 337 T C 1.922 176.545 174.700 -0.130 0.000 1.050 337 T CA 1.080 63.018 62.100 -0.270 0.000 1.140 337 T CB -0.002 68.671 68.868 -0.326 0.000 0.877 337 T HN 0.218 nan 8.240 nan 0.000 0.457 338 A N 1.656 124.449 122.820 -0.045 0.000 1.903 338 A HA 0.263 4.583 4.320 -0.000 0.000 0.213 338 A C 1.221 178.790 177.584 -0.025 0.000 1.185 338 A CA 0.146 52.187 52.037 0.006 0.000 0.628 338 A CB -0.705 18.317 19.000 0.037 0.000 0.830 338 A HN 0.679 nan 8.150 nan 0.000 0.446 339 I N -2.192 118.354 120.570 -0.040 0.000 2.648 339 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 339 I C -1.529 174.562 176.117 -0.043 0.000 1.153 339 I CA -1.682 59.591 61.300 -0.045 0.000 1.426 339 I CB 0.482 38.464 38.000 -0.030 0.000 1.381 339 I HN -0.033 nan 8.210 nan 0.000 0.571 340 P HA -0.163 nan 4.420 nan 0.000 0.218 340 P C 0.234 177.486 177.300 -0.080 0.000 1.149 340 P CA 1.332 64.361 63.100 -0.120 0.000 0.817 340 P CB -0.240 31.314 31.700 -0.244 0.000 0.785 341 N N -0.192 118.431 118.700 -0.128 0.000 2.714 341 N HA 0.046 4.786 4.740 -0.000 0.000 0.298 341 N C -0.650 174.911 175.510 0.085 0.000 1.298 341 N CA -0.741 52.297 53.050 -0.022 0.000 1.007 341 N CB -1.014 37.461 38.487 -0.020 0.000 1.318 341 N HN 0.061 nan 8.380 nan 0.000 0.516 342 F N 0.386 120.328 119.950 -0.013 0.000 2.384 342 F HA 0.357 4.884 4.527 0.000 0.000 0.338 342 F C 0.982 176.820 175.800 0.063 0.000 1.103 342 F CA -0.723 57.292 58.000 0.024 0.000 1.157 342 F CB 1.570 40.587 39.000 0.027 0.000 1.167 342 F HN -0.109 nan 8.300 nan 0.000 0.529 343 V N 6.612 126.030 119.914 -0.827 0.000 2.854 343 V HA 0.459 4.579 4.120 -0.000 0.000 0.236 343 V C -0.175 175.397 176.094 -0.870 0.000 1.157 343 V CA 0.669 62.602 62.300 -0.613 0.000 1.187 343 V CB 0.271 31.972 31.823 -0.204 0.000 0.949 343 V HN 0.736 nan 8.190 nan 0.000 0.488 344 I N -0.951 119.017 120.570 -1.004 0.000 2.882 344 I HA 0.379 4.548 4.170 -0.000 0.000 0.298 344 I C -1.466 174.787 176.117 0.226 0.000 1.462 344 I CA -0.869 60.328 61.300 -0.173 0.000 1.000 344 I CB 2.094 40.269 38.000 0.291 0.000 1.340 344 I HN 0.447 nan 8.210 nan 0.000 0.462 345 H N 4.662 123.949 119.070 0.362 0.000 2.463 345 H HA 0.400 4.956 4.556 -0.000 0.000 0.332 345 H C -0.900 174.324 175.328 -0.172 0.000 1.127 345 H CA -0.303 55.888 56.048 0.238 0.000 1.238 345 H CB 1.470 31.404 29.762 0.287 0.000 1.478 345 H HN 0.524 nan 8.280 nan 0.000 0.499 346 E N 4.786 124.548 120.200 -0.731 0.000 2.167 346 E HA 0.259 4.609 4.350 -0.000 0.000 0.284 346 E C -1.496 174.822 176.600 -0.469 0.000 1.016 346 E CA -0.903 54.921 56.400 -0.960 0.000 0.817 346 E CB 0.644 29.989 29.700 -0.591 0.000 1.080 346 E HN 0.460 nan 8.360 nan 0.000 0.397 347 L N 6.319 127.326 121.223 -0.360 0.000 2.319 347 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 347 L C -0.939 175.900 176.870 -0.052 0.000 1.005 347 L CA -0.503 54.334 54.840 -0.005 0.000 0.828 347 L CB 1.104 43.274 42.059 0.185 0.000 1.227 347 L HN 0.611 nan 8.230 nan 0.000 0.415 348 H N 3.663 122.723 119.070 -0.017 0.000 2.551 348 H HA 0.222 4.778 4.556 -0.000 0.000 0.358 348 H C 0.512 175.743 175.328 -0.161 0.000 1.151 348 H CA -0.250 55.788 56.048 -0.018 0.000 1.374 348 H CB 1.581 31.237 29.762 -0.177 0.000 1.473 348 H HN 0.654 nan 8.280 nan 0.000 0.574 349 R N 1.794 122.261 120.500 -0.054 0.000 2.073 349 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 349 R C 1.998 178.106 176.300 -0.322 0.000 1.134 349 R CA 1.829 57.624 56.100 -0.507 0.000 0.952 349 R CB -0.411 29.518 30.300 -0.619 0.000 0.850 349 R HN 0.715 nan 8.270 nan 0.000 0.433 350 Y N -1.037 119.181 120.300 -0.136 0.000 2.315 350 Y HA -0.029 4.521 4.550 -0.000 0.000 0.288 350 Y C 1.876 177.722 175.900 -0.090 0.000 1.154 350 Y CA 0.700 58.704 58.100 -0.161 0.000 1.229 350 Y CB -0.781 37.531 38.460 -0.246 0.000 0.980 350 Y HN 0.028 nan 8.280 nan 0.000 0.540 351 A N 1.154 123.488 122.820 -0.810 0.000 2.067 351 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 351 A C 2.066 179.586 177.584 -0.107 0.000 1.158 351 A CA 1.373 53.131 52.037 -0.465 0.000 0.661 351 A CB -0.958 17.792 19.000 -0.417 0.000 0.801 351 A HN 0.603 nan 8.150 nan 0.000 0.452 352 L N -0.667 120.484 121.223 -0.120 0.000 2.492 352 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 352 L C 0.203 177.046 176.870 -0.044 0.000 1.132 352 L CA -0.089 54.718 54.840 -0.055 0.000 0.850 352 L CB -0.302 41.703 42.059 -0.091 0.000 0.966 352 L HN 0.251 nan 8.230 nan 0.000 0.454 353 L N -0.694 120.503 121.223 -0.043 0.000 2.360 353 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 353 L C 1.477 178.349 176.870 0.004 0.000 1.057 353 L CA -0.587 54.231 54.840 -0.036 0.000 0.803 353 L CB 1.012 43.038 42.059 -0.055 0.000 1.207 353 L HN -0.005 nan 8.230 nan 0.000 0.445 354 E N 1.747 121.942 120.200 -0.009 0.000 2.086 354 E HA -0.223 4.127 4.350 -0.000 0.000 0.205 354 E C -0.742 175.878 176.600 0.033 0.000 1.027 354 E CA 1.811 58.215 56.400 0.005 0.000 0.830 354 E CB -1.164 28.529 29.700 -0.011 0.000 0.751 354 E HN 0.621 nan 8.360 nan 0.000 0.456 355 P HA -0.123 nan 4.420 nan 0.000 0.219 355 P C 1.026 178.409 177.300 0.139 0.000 1.146 355 P CA 1.358 64.504 63.100 0.075 0.000 0.808 355 P CB -0.034 31.699 31.700 0.055 0.000 0.779 356 N N -1.246 117.545 118.700 0.151 0.000 2.197 356 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 356 N C 1.639 177.248 175.510 0.165 0.000 1.030 356 N CA 1.902 55.084 53.050 0.220 0.000 0.851 356 N CB -0.768 37.895 38.487 0.294 0.000 1.003 356 N HN 0.028 nan 8.380 nan 0.000 0.430 357 T N -1.368 113.252 114.554 0.109 0.000 2.904 357 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 357 T C 1.700 176.427 174.700 0.045 0.000 1.059 357 T CA 1.256 63.402 62.100 0.076 0.000 1.137 357 T CB -0.577 68.319 68.868 0.046 0.000 0.879 357 T HN 0.501 nan 8.240 nan 0.000 0.467 358 Q N 1.853 121.678 119.800 0.041 0.000 2.364 358 Q HA -0.119 4.221 4.340 -0.000 0.000 0.207 358 Q C 2.130 178.142 176.000 0.020 0.000 0.970 358 Q CA 1.691 57.505 55.803 0.018 0.000 0.888 358 Q CB -1.011 27.738 28.738 0.018 0.000 0.951 358 Q HN 0.715 nan 8.270 nan 0.000 0.469 359 T N -2.334 112.252 114.554 0.054 0.000 2.881 359 T HA -0.009 4.341 4.350 -0.000 0.000 0.270 359 T C 0.952 175.659 174.700 0.012 0.000 1.068 359 T CA 0.610 62.743 62.100 0.054 0.000 1.131 359 T CB -0.299 68.630 68.868 0.102 0.000 0.871 359 T HN 0.309 nan 8.240 nan 0.000 0.479 360 C N 0.367 119.662 119.300 -0.007 0.000 2.719 360 C HA 0.547 5.007 4.460 -0.000 0.000 0.327 360 C C 1.680 176.580 174.990 -0.151 0.000 1.238 360 C CA -1.036 57.944 59.018 -0.062 0.000 1.727 360 C CB 2.222 29.964 27.740 0.004 0.000 2.256 360 C HN 0.368 nan 8.230 nan 0.000 0.489 361 K N -0.375 119.852 120.400 -0.289 0.000 2.228 361 K HA 0.039 4.359 4.320 -0.000 0.000 0.202 361 K C -0.699 175.468 176.600 -0.720 0.000 1.051 361 K CA 1.352 57.292 56.287 -0.578 0.000 0.960 361 K CB 0.097 32.049 32.500 -0.914 0.000 0.743 361 K HN 0.596 nan 8.250 nan 0.000 0.458 362 Y N -0.437 119.782 120.300 -0.135 0.000 2.446 362 Y HA 0.296 4.846 4.550 -0.000 0.000 0.345 362 Y C -0.283 175.380 175.900 -0.394 0.000 0.984 362 Y CA -1.591 56.334 58.100 -0.292 0.000 1.058 362 Y CB 1.182 39.425 38.460 -0.362 0.000 1.220 362 Y HN -0.211 nan 8.280 nan 0.000 0.455 363 N N 2.127 120.647 118.700 -0.299 0.000 2.621 363 N HA 0.221 4.961 4.740 -0.000 0.000 0.237 363 N C -2.009 173.335 175.510 -0.277 0.000 0.997 363 N CA -0.710 52.214 53.050 -0.210 0.000 0.918 363 N CB 0.021 38.455 38.487 -0.088 0.000 1.122 363 N HN 0.452 nan 8.380 nan 0.000 0.510 364 Y N 3.115 123.495 120.300 0.133 0.000 2.425 364 Y HA 0.406 4.956 4.550 -0.000 0.000 0.347 364 Y C 0.293 176.327 175.900 0.223 0.000 0.976 364 Y CA -0.512 57.678 58.100 0.150 0.000 1.190 364 Y CB 0.730 39.265 38.460 0.126 0.000 1.136 364 Y HN 0.189 nan 8.280 nan 0.000 0.517 365 L N 6.226 127.598 121.223 0.248 0.000 2.342 365 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 365 L C -2.164 174.628 176.870 -0.131 0.000 1.008 365 L CA -2.252 52.644 54.840 0.093 0.000 0.818 365 L CB 2.114 44.190 42.059 0.029 0.000 1.296 365 L HN 0.404 nan 8.230 nan 0.000 0.427 366 P HA 0.228 nan 4.420 nan 0.000 0.276 366 P C -1.567 175.572 177.300 -0.270 0.000 1.252 366 P CA -0.570 62.147 63.100 -0.637 0.000 0.802 366 P CB 1.205 32.427 31.700 -0.797 0.000 1.035 367 K N 1.197 121.460 120.400 -0.227 0.000 2.541 367 K HA 0.349 4.669 4.320 -0.000 0.000 0.250 367 K C -0.323 176.161 176.600 -0.193 0.000 0.950 367 K CA -0.474 55.714 56.287 -0.166 0.000 0.805 367 K CB 0.193 32.631 32.500 -0.104 0.000 1.166 367 K HN 0.345 nan 8.250 nan 0.000 0.430 368 N N 3.264 121.820 118.700 -0.239 0.000 2.735 368 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 368 N C 0.468 175.777 175.510 -0.335 0.000 1.083 368 N CA 1.625 54.514 53.050 -0.268 0.000 0.703 368 N CB -1.349 37.042 38.487 -0.160 0.000 1.005 368 N HN 1.349 nan 8.380 nan 0.000 0.550 369 G N -1.704 106.787 108.800 -0.515 0.000 2.148 369 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 369 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 369 G C -0.035 174.797 174.900 -0.114 0.000 0.981 369 G CA 0.804 45.663 45.100 -0.402 0.000 0.670 369 G HN 0.349 nan 8.290 nan 0.000 0.528 370 M N -0.599 118.914 119.600 -0.145 0.000 2.464 370 M HA 0.553 5.033 4.480 -0.000 0.000 0.308 370 M C -0.437 175.787 176.300 -0.127 0.000 1.127 370 M CA -1.001 54.259 55.300 -0.067 0.000 0.913 370 M CB 1.744 34.315 32.600 -0.048 0.000 1.689 370 M HN 0.090 nan 8.290 nan 0.000 0.445 371 Y N 0.495 120.745 120.300 -0.084 0.000 2.453 371 Y HA 0.400 4.950 4.550 -0.000 0.000 0.326 371 Y C 0.352 176.162 175.900 -0.150 0.000 1.186 371 Y CA -0.323 57.697 58.100 -0.133 0.000 1.200 371 Y CB 1.591 39.900 38.460 -0.251 0.000 1.247 371 Y HN 0.568 nan 8.280 nan 0.000 0.482 372 E N 0.421 120.665 120.200 0.073 0.000 2.244 372 E HA 0.382 4.732 4.350 -0.000 0.000 0.266 372 E C -1.480 175.012 176.600 -0.180 0.000 0.914 372 E CA -1.099 55.259 56.400 -0.070 0.000 0.794 372 E CB 2.846 32.516 29.700 -0.050 0.000 1.210 372 E HN 0.299 nan 8.360 nan 0.000 0.414 373 V N 3.140 122.863 119.914 -0.319 0.000 2.715 373 V HA 0.165 4.285 4.120 -0.000 0.000 0.299 373 V C -2.214 173.617 176.094 -0.438 0.000 1.054 373 V CA -1.618 60.386 62.300 -0.493 0.000 1.077 373 V CB 0.850 32.304 31.823 -0.615 0.000 0.972 373 V HN 0.543 nan 8.190 nan 0.000 0.484 374 P HA 0.159 nan 4.420 nan 0.000 0.269 374 P C -0.100 177.195 177.300 -0.008 0.000 1.217 374 P CA 0.129 62.960 63.100 -0.449 0.000 0.783 374 P CB 0.392 31.738 31.700 -0.590 0.000 0.898 375 E N 0.375 120.618 120.200 0.073 0.000 2.601 375 E HA 0.163 4.513 4.350 -0.000 0.000 0.219 375 E C 0.473 177.132 176.600 0.099 0.000 0.964 375 E CA -0.018 56.477 56.400 0.157 0.000 1.050 375 E CB 0.258 30.030 29.700 0.120 0.000 1.068 375 E HN 0.377 nan 8.360 nan 0.000 0.496 376 L N 2.199 123.452 121.223 0.050 0.000 2.466 376 L HA 0.205 4.545 4.340 -0.000 0.000 0.257 376 L C -2.078 174.805 176.870 0.020 0.000 1.189 376 L CA -1.727 53.114 54.840 0.000 0.000 0.813 376 L CB -0.189 41.808 42.059 -0.104 0.000 1.118 376 L HN -0.239 nan 8.230 nan 0.000 0.471 377 P HA 0.070 nan 4.420 nan 0.000 0.267 377 P C 0.344 177.648 177.300 0.005 0.000 1.200 377 P CA 0.819 63.928 63.100 0.015 0.000 0.772 377 P CB 0.522 32.241 31.700 0.032 0.000 0.855 378 G N 2.656 111.440 108.800 -0.028 0.000 2.547 378 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.271 378 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.271 378 G C 0.876 175.711 174.900 -0.109 0.000 1.209 378 G CA 0.239 45.315 45.100 -0.041 0.000 0.959 378 G HN 0.646 nan 8.290 nan 0.000 0.563 379 I N -0.547 120.000 120.570 -0.039 0.000 3.111 379 I HA 0.430 4.600 4.170 -0.000 0.000 0.272 379 I C 1.810 178.019 176.117 0.153 0.000 1.268 379 I CA 1.247 62.522 61.300 -0.042 0.000 1.467 379 I CB -0.371 37.669 38.000 0.067 0.000 1.087 379 I HN 2.385 nan 8.210 nan 0.000 0.467 380 G N 1.263 110.135 108.800 0.120 0.000 2.176 380 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.252 380 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.252 380 G C -0.145 174.901 174.900 0.245 0.000 1.024 380 G CA 0.607 45.777 45.100 0.118 0.000 0.755 380 G HN 0.681 nan 8.290 nan 0.000 0.507 381 Q N -0.643 119.312 119.800 0.257 0.000 2.426 381 Q HA 0.688 5.028 4.340 -0.000 0.000 0.278 381 Q C -1.030 174.991 176.000 0.034 0.000 1.007 381 Q CA -0.521 55.460 55.803 0.296 0.000 0.850 381 Q CB 1.492 30.400 28.738 0.283 0.000 1.427 381 Q HN 0.417 nan 8.270 nan 0.000 0.391 382 E N 1.910 122.016 120.200 -0.157 0.000 2.375 382 E HA 0.362 4.712 4.350 -0.000 0.000 0.280 382 E C -0.972 175.302 176.600 -0.544 0.000 0.972 382 E CA -0.722 55.212 56.400 -0.776 0.000 0.782 382 E CB 1.588 30.881 29.700 -0.678 0.000 1.229 382 E HN 0.554 nan 8.360 nan 0.000 0.439 383 L N 1.893 122.745 121.223 -0.618 0.000 2.456 383 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 383 L C 1.072 177.840 176.870 -0.169 0.000 1.189 383 L CA 0.010 54.742 54.840 -0.180 0.000 0.846 383 L CB 0.087 42.188 42.059 0.069 0.000 1.111 383 L HN 0.656 nan 8.230 nan 0.000 0.475 384 T N -1.640 112.850 114.554 -0.105 0.000 2.900 384 T HA 0.030 4.380 4.350 -0.000 0.000 0.307 384 T C 1.041 175.730 174.700 -0.019 0.000 1.065 384 T CA -0.751 61.297 62.100 -0.086 0.000 1.105 384 T CB 1.011 69.835 68.868 -0.073 0.000 0.979 384 T HN 0.549 nan 8.240 nan 0.000 0.544 385 E N 0.825 121.018 120.200 -0.011 0.000 2.160 385 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 385 E C 1.843 178.454 176.600 0.019 0.000 0.991 385 E CA 1.514 57.925 56.400 0.020 0.000 0.810 385 E CB -0.118 29.590 29.700 0.013 0.000 0.742 385 E HN 0.972 nan 8.360 nan 0.000 0.466 386 E N 0.026 120.230 120.200 0.006 0.000 2.107 386 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 386 E C 1.773 178.384 176.600 0.018 0.000 0.982 386 E CA 1.244 57.650 56.400 0.009 0.000 0.809 386 E CB 0.162 29.861 29.700 -0.001 0.000 0.756 386 E HN 0.050 nan 8.360 nan 0.000 0.459 387 T N 0.946 115.512 114.554 0.021 0.000 2.746 387 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 387 T C 1.824 176.551 174.700 0.045 0.000 1.039 387 T CA 1.423 63.544 62.100 0.035 0.000 1.142 387 T CB -0.106 68.786 68.868 0.039 0.000 0.866 387 T HN 0.214 nan 8.240 nan 0.000 0.444 388 M N 0.372 120.005 119.600 0.056 0.000 2.229 388 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 388 M C 2.360 178.686 176.300 0.043 0.000 1.063 388 M CA 1.398 56.737 55.300 0.066 0.000 1.114 388 M CB -0.323 32.335 32.600 0.096 0.000 1.387 388 M HN 0.063 nan 8.290 nan 0.000 0.420 389 K N 1.262 121.682 120.400 0.034 0.000 2.063 389 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 389 K C 1.635 178.247 176.600 0.021 0.000 1.048 389 K CA 1.468 57.769 56.287 0.024 0.000 0.928 389 K CB 0.008 32.519 32.500 0.019 0.000 0.713 389 K HN 0.393 nan 8.250 nan 0.000 0.442 390 K N -1.342 119.072 120.400 0.023 0.000 2.358 390 K HA 0.225 4.545 4.320 -0.000 0.000 0.200 390 K C -0.409 176.205 176.600 0.022 0.000 1.030 390 K CA -0.139 56.160 56.287 0.021 0.000 1.097 390 K CB 1.078 33.591 32.500 0.021 0.000 0.862 390 K HN -0.207 nan 8.250 nan 0.000 0.534 391 S N 3.305 119.020 115.700 0.024 0.000 2.457 391 S HA 0.326 4.796 4.470 -0.000 0.000 0.289 391 S C -2.528 172.079 174.600 0.012 0.000 1.163 391 S CA -1.305 56.908 58.200 0.021 0.000 1.078 391 S CB 1.152 64.370 63.200 0.029 0.000 0.987 391 S HN 0.089 nan 8.310 nan 0.000 0.482 392 P HA 0.139 nan 4.420 nan 0.000 0.262 392 P C -0.736 176.560 177.300 -0.007 0.000 1.182 392 P CA 0.172 63.270 63.100 -0.003 0.000 0.761 392 P CB 0.288 31.984 31.700 -0.007 0.000 0.795 393 T N 4.116 118.665 114.554 -0.009 0.000 2.921 393 T HA 0.506 4.856 4.350 -0.000 0.000 0.297 393 T C 0.054 174.743 174.700 -0.019 0.000 1.013 393 T CA -0.410 61.683 62.100 -0.013 0.000 0.990 393 T CB 0.702 69.566 68.868 -0.007 0.000 1.023 393 T HN 0.148 nan 8.240 nan 0.000 0.447 394 I N 2.325 122.879 120.570 -0.026 0.000 2.428 394 I HA 0.446 4.616 4.170 -0.000 0.000 0.296 394 I C 0.280 176.378 176.117 -0.032 0.000 0.985 394 I CA -0.550 60.733 61.300 -0.029 0.000 1.260 394 I CB 1.590 39.570 38.000 -0.033 0.000 1.389 394 I HN 0.466 nan 8.210 nan 0.000 0.484 395 T N 5.149 119.685 114.554 -0.030 0.000 2.812 395 T HA 0.442 4.792 4.350 -0.000 0.000 0.282 395 T C -0.412 174.268 174.700 -0.033 0.000 0.990 395 T CA -0.428 61.652 62.100 -0.034 0.000 0.960 395 T CB 1.777 70.628 68.868 -0.029 0.000 0.948 395 T HN 0.176 nan 8.240 nan 0.000 0.438 396 V N 5.756 125.647 119.914 -0.038 0.000 2.398 396 V HA 0.654 4.774 4.120 -0.000 0.000 0.286 396 V C 0.120 176.193 176.094 -0.034 0.000 1.026 396 V CA -0.640 61.639 62.300 -0.035 0.000 0.868 396 V CB 1.187 32.986 31.823 -0.040 0.000 0.982 396 V HN 0.868 nan 8.190 nan 0.000 0.443 397 K N 0.000 120.383 120.400 -0.028 0.000 2.780 397 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 397 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 397 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 397 K HN 0.000 nan 8.250 nan 0.000 0.543