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 3ntb_1_C DATA FIRST_RESID 33 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.635 177.584 0.084 0.000 1.274 33 A CA 0.000 52.081 52.037 0.073 0.000 0.836 33 A CB 0.000 19.053 19.000 0.089 0.000 0.831 34 N N 2.310 121.048 118.700 0.063 0.000 2.440 34 N HA 0.145 4.885 4.740 0.000 0.000 0.265 34 N C -1.572 173.958 175.510 0.034 0.000 1.239 34 N CA -0.689 52.390 53.050 0.048 0.000 0.909 34 N CB 1.302 39.807 38.487 0.030 0.000 1.066 34 N HN 0.232 nan 8.380 nan 0.000 0.474 35 P HA 0.015 nan 4.420 nan 0.000 0.230 35 P C 0.503 177.770 177.300 -0.056 0.000 1.158 35 P CA 0.556 63.691 63.100 0.059 0.000 0.769 35 P CB 0.134 31.929 31.700 0.159 0.000 0.807 36 c N -1.206 117.353 118.600 -0.068 0.000 2.693 36 c HA 0.167 4.737 4.570 0.000 0.000 0.286 36 c C 2.548 176.561 174.090 -0.130 0.000 1.277 36 c CA -0.275 55.963 56.329 -0.150 0.000 1.705 36 c CB -2.309 40.146 42.510 -0.092 0.000 1.879 36 c HN 0.342 nan 8.230 nan 0.000 0.607 37 c N 1.330 119.877 118.600 -0.088 0.000 2.435 37 c HA -0.073 4.498 4.570 0.000 0.000 0.279 37 c C 2.847 176.887 174.090 -0.082 0.000 1.321 37 c CA 1.804 58.095 56.329 -0.064 0.000 1.752 37 c CB -1.185 41.309 42.510 -0.026 0.000 1.959 37 c HN 0.811 nan 8.230 nan 0.000 0.500 38 S N 0.563 116.195 115.700 -0.114 0.000 2.607 38 S HA -0.031 4.439 4.470 0.000 0.000 0.224 38 S C 0.380 174.897 174.600 -0.139 0.000 0.969 38 S CA 0.318 58.451 58.200 -0.112 0.000 0.927 38 S CB -0.711 62.421 63.200 -0.113 0.000 0.772 38 S HN 0.675 nan 8.310 nan 0.000 0.533 39 N N 1.859 120.458 118.700 -0.168 0.000 2.667 39 N HA -0.093 4.647 4.740 0.000 0.000 0.263 39 N C -2.001 173.391 175.510 -0.197 0.000 1.038 39 N CA 1.021 53.964 53.050 -0.178 0.000 0.749 39 N CB -1.135 37.263 38.487 -0.148 0.000 0.892 39 N HN 0.473 nan 8.380 nan 0.000 0.546 40 P HA 0.002 nan 4.420 nan 0.000 0.222 40 P C 0.328 177.535 177.300 -0.155 0.000 1.153 40 P CA 0.607 63.543 63.100 -0.273 0.000 0.798 40 P CB 0.210 31.537 31.700 -0.622 0.000 0.796 41 c N 2.467 120.981 118.600 -0.144 0.000 2.585 41 c HA 0.344 4.914 4.570 0.000 0.000 0.406 41 c C 0.696 174.717 174.090 -0.115 0.000 1.312 41 c CA -0.516 55.768 56.329 -0.076 0.000 1.924 41 c CB -0.507 41.978 42.510 -0.041 0.000 2.578 41 c HN 0.266 nan 8.230 nan 0.000 0.580 42 Q N 1.687 121.406 119.800 -0.135 0.000 2.240 42 Q HA 0.352 4.692 4.340 0.000 0.000 0.260 42 Q C 0.046 175.887 176.000 -0.265 0.000 1.018 42 Q CA -0.499 55.181 55.803 -0.205 0.000 0.898 42 Q CB 0.628 29.222 28.738 -0.240 0.000 1.301 42 Q HN 0.772 nan 8.270 nan 0.000 0.469 43 N N 1.748 120.259 118.700 -0.313 0.000 2.727 43 N HA -0.212 4.528 4.740 0.000 0.000 0.251 43 N C -0.631 174.783 175.510 -0.160 0.000 1.040 43 N CA 0.722 53.574 53.050 -0.330 0.000 0.712 43 N CB -0.441 37.580 38.487 -0.777 0.000 0.912 43 N HN 0.670 nan 8.380 nan 0.000 0.545 44 R N -4.258 116.161 120.500 -0.135 0.000 3.989 44 R HA -0.152 4.188 4.340 0.000 0.000 0.377 44 R C 0.895 177.163 176.300 -0.052 0.000 1.158 44 R CA 1.281 57.323 56.100 -0.097 0.000 1.035 44 R CB -2.334 27.911 30.300 -0.092 0.000 1.557 44 R HN 0.520 nan 8.270 nan 0.000 0.551 45 G N 0.920 109.687 108.800 -0.055 0.000 2.527 45 G HA2 0.312 4.273 3.960 0.000 0.000 0.248 45 G HA3 0.312 4.273 3.960 0.000 0.000 0.248 45 G C -0.271 174.624 174.900 -0.009 0.000 1.231 45 G CA -0.354 44.737 45.100 -0.015 0.000 0.838 45 G HN 0.189 nan 8.290 nan 0.000 0.570 46 E N 0.019 120.234 120.200 0.026 0.000 2.133 46 E HA 0.268 4.618 4.350 0.000 0.000 0.274 46 E C -0.632 175.994 176.600 0.044 0.000 0.930 46 E CA -0.571 55.855 56.400 0.042 0.000 0.770 46 E CB 1.810 31.561 29.700 0.085 0.000 1.104 46 E HN 0.412 nan 8.360 nan 0.000 0.403 47 c N 4.986 123.595 118.600 0.015 0.000 2.527 47 c HA 0.541 5.111 4.570 0.000 0.000 0.396 47 c C -0.223 173.898 174.090 0.052 0.000 1.289 47 c CA -0.281 56.065 56.329 0.028 0.000 2.047 47 c CB -0.552 41.921 42.510 -0.061 0.000 2.568 47 c HN 0.806 nan 8.230 nan 0.000 0.573 48 M N 5.672 125.324 119.600 0.086 0.000 2.324 48 M HA 0.367 4.847 4.480 0.000 0.000 0.288 48 M C -0.087 176.258 176.300 0.076 0.000 1.097 48 M CA -0.096 55.242 55.300 0.064 0.000 0.928 48 M CB 2.035 34.664 32.600 0.050 0.000 1.648 48 M HN 0.795 nan 8.290 nan 0.000 0.460 49 S N 2.272 117.995 115.700 0.039 0.000 2.549 49 S HA 0.299 4.769 4.470 0.000 0.000 0.279 49 S C 0.624 175.215 174.600 -0.015 0.000 1.321 49 S CA 0.093 58.310 58.200 0.029 0.000 1.054 49 S CB 0.474 63.666 63.200 -0.014 0.000 0.899 49 S HN 0.775 nan 8.310 nan 0.000 0.497 50 T N -0.708 113.838 114.554 -0.014 0.000 3.182 50 T HA 0.620 4.970 4.350 0.000 0.000 0.277 50 T C 0.645 175.306 174.700 -0.066 0.000 1.013 50 T CA -0.043 62.031 62.100 -0.043 0.000 0.900 50 T CB -0.209 68.638 68.868 -0.035 0.000 1.098 50 T HN 1.315 nan 8.240 nan 0.000 0.543 51 G N 0.039 108.782 108.800 -0.095 0.000 2.317 51 G HA2 0.393 4.354 3.960 0.000 0.000 0.293 51 G HA3 0.393 4.354 3.960 0.000 0.000 0.293 51 G C -0.572 174.236 174.900 -0.154 0.000 1.287 51 G CA -0.834 44.188 45.100 -0.130 0.000 0.850 51 G HN 0.005 nan 8.290 nan 0.000 0.515 52 F N -0.003 119.959 119.950 0.020 0.000 2.259 52 F HA 0.155 4.682 4.527 0.000 0.000 0.298 52 F C 1.806 177.626 175.800 0.033 0.000 1.088 52 F CA 1.451 59.465 58.000 0.023 0.000 1.358 52 F CB 0.467 39.477 39.000 0.017 0.000 1.040 52 F HN 0.223 nan 8.300 nan 0.000 0.505 53 D N -1.180 119.340 120.400 0.200 0.000 2.540 53 D HA 0.138 4.779 4.640 0.000 0.000 0.229 53 D C -0.222 176.151 176.300 0.121 0.000 1.250 53 D CA 0.254 54.341 54.000 0.145 0.000 0.817 53 D CB 0.472 41.345 40.800 0.122 0.000 1.060 53 D HN 0.216 nan 8.370 nan 0.000 0.508 54 Q N 0.149 120.007 119.800 0.097 0.000 2.394 54 Q HA 0.511 4.851 4.340 0.000 0.000 0.273 54 Q C -0.890 175.168 176.000 0.097 0.000 1.089 54 Q CA -0.910 54.926 55.803 0.054 0.000 0.812 54 Q CB 2.320 31.050 28.738 -0.012 0.000 1.353 54 Q HN 0.165 nan 8.270 nan 0.000 0.438 55 Y N -1.421 118.877 120.300 -0.002 0.000 2.665 55 Y HA 0.921 5.471 4.550 0.000 0.000 0.336 55 Y C -1.169 174.727 175.900 -0.005 0.000 1.085 55 Y CA -1.392 56.703 58.100 -0.008 0.000 1.096 55 Y CB 1.623 40.078 38.460 -0.007 0.000 1.301 55 Y HN 0.464 nan 8.280 nan 0.000 0.493 56 K N 0.672 121.176 120.400 0.174 0.000 2.513 56 K HA 0.626 4.947 4.320 0.000 0.000 0.251 56 K C -2.275 174.435 176.600 0.184 0.000 0.939 56 K CA -0.260 56.074 56.287 0.078 0.000 0.793 56 K CB 1.653 34.166 32.500 0.022 0.000 1.241 56 K HN 0.954 nan 8.250 nan 0.000 0.431 57 c N 2.907 121.602 118.600 0.158 0.000 2.295 57 c HA 0.438 5.008 4.570 0.000 0.000 0.331 57 c C -0.659 173.483 174.090 0.087 0.000 1.280 57 c CA -0.732 55.678 56.329 0.135 0.000 1.746 57 c CB 0.504 43.101 42.510 0.145 0.000 2.328 57 c HN 0.762 nan 8.230 nan 0.000 0.521 58 D N 1.842 122.286 120.400 0.073 0.000 2.380 58 D HA 0.233 4.874 4.640 0.000 0.000 0.230 58 D C 0.202 176.543 176.300 0.068 0.000 1.154 58 D CA -0.244 53.794 54.000 0.064 0.000 0.859 58 D CB 0.692 41.525 40.800 0.054 0.000 1.045 58 D HN 0.652 nan 8.370 nan 0.000 0.495 59 c N 2.982 121.633 118.600 0.086 0.000 2.614 59 c HA 0.162 4.732 4.570 0.000 0.000 0.299 59 c C 0.817 174.973 174.090 0.110 0.000 1.293 59 c CA -0.405 55.991 56.329 0.112 0.000 1.713 59 c CB -1.532 41.075 42.510 0.161 0.000 1.890 59 c HN 0.502 nan 8.230 nan 0.000 0.602 60 T N 1.813 116.413 114.554 0.077 0.000 2.831 60 T HA 0.069 4.419 4.350 0.000 0.000 0.291 60 T C 0.949 175.689 174.700 0.068 0.000 0.981 60 T CA 0.572 62.710 62.100 0.063 0.000 1.174 60 T CB -0.033 68.860 68.868 0.040 0.000 0.929 60 T HN 0.612 nan 8.240 nan 0.000 0.532 61 R N 0.359 120.905 120.500 0.076 0.000 3.875 61 R HA -0.218 4.122 4.340 0.000 0.000 0.321 61 R C 1.575 177.945 176.300 0.117 0.000 1.196 61 R CA 1.151 57.302 56.100 0.084 0.000 0.868 61 R CB -2.302 28.037 30.300 0.065 0.000 1.333 61 R HN 0.914 nan 8.270 nan 0.000 0.522 62 T N -4.866 109.776 114.554 0.147 0.000 3.054 62 T HA 0.231 4.581 4.350 0.000 0.000 0.259 62 T C 1.521 176.400 174.700 0.299 0.000 1.092 62 T CA 0.885 63.114 62.100 0.215 0.000 1.121 62 T CB 0.769 69.773 68.868 0.226 0.000 0.912 62 T HN 0.659 nan 8.240 nan 0.000 0.489 63 G N 0.645 109.556 108.800 0.184 0.000 2.176 63 G HA2 -0.159 3.801 3.960 0.000 0.000 0.253 63 G HA3 -0.159 3.801 3.960 0.000 0.000 0.253 63 G C -0.114 174.685 174.900 -0.168 0.000 0.979 63 G CA 0.022 45.130 45.100 0.013 0.000 0.641 63 G HN 0.553 nan 8.290 nan 0.000 0.530 64 F N -0.528 119.481 119.950 0.099 0.000 2.631 64 F HA 0.828 5.356 4.527 0.000 0.000 0.328 64 F C 0.323 176.229 175.800 0.176 0.000 1.067 64 F CA -0.832 57.211 58.000 0.072 0.000 0.969 64 F CB 1.539 40.536 39.000 -0.006 0.000 1.332 64 F HN 0.281 nan 8.300 nan 0.000 0.490 65 Y N -1.205 119.230 120.300 0.225 0.000 2.829 65 Y HA 0.898 5.449 4.550 0.000 0.000 0.322 65 Y C -0.093 175.880 175.900 0.120 0.000 1.357 65 Y CA -1.451 56.729 58.100 0.134 0.000 1.081 65 Y CB 1.101 39.609 38.460 0.079 0.000 1.339 65 Y HN 1.068 nan 8.280 nan 0.000 0.469 66 G N 0.233 109.189 108.800 0.260 0.000 2.566 66 G HA2 -0.199 3.761 3.960 0.000 0.000 0.599 66 G HA3 -0.199 3.761 3.960 0.000 0.000 0.599 66 G C 0.174 175.132 174.900 0.096 0.000 1.292 66 G CA -0.009 45.168 45.100 0.128 0.000 0.922 66 G HN 1.139 nan 8.290 nan 0.000 0.514 67 E N -0.502 119.736 120.200 0.063 0.000 2.110 67 E HA -0.114 4.236 4.350 0.000 0.000 0.193 67 E C 1.467 178.128 176.600 0.101 0.000 0.988 67 E CA 1.576 58.007 56.400 0.052 0.000 0.804 67 E CB -0.044 29.670 29.700 0.023 0.000 0.745 67 E HN 0.340 nan 8.360 nan 0.000 0.458 68 N N -0.882 117.867 118.700 0.082 0.000 2.235 68 N HA 0.108 4.848 4.740 0.000 0.000 0.231 68 N C -0.982 174.531 175.510 0.005 0.000 1.177 68 N CA 0.205 53.299 53.050 0.073 0.000 0.874 68 N CB 0.508 39.026 38.487 0.051 0.000 1.097 68 N HN 0.111 nan 8.380 nan 0.000 0.518 69 c N 0.526 119.143 118.600 0.028 0.000 4.056 69 c HA -0.132 4.438 4.570 0.000 0.000 0.302 69 c C 1.773 175.809 174.090 -0.090 0.000 1.356 69 c CA 1.114 57.458 56.329 0.025 0.000 2.074 69 c CB -2.960 39.558 42.510 0.013 0.000 1.328 69 c HN 0.617 nan 8.230 nan 0.000 0.684 70 T N -4.802 109.727 114.554 -0.040 0.000 2.978 70 T HA 0.122 4.473 4.350 0.000 0.000 0.248 70 T C 0.417 175.202 174.700 0.142 0.000 1.018 70 T CA 0.721 62.788 62.100 -0.055 0.000 1.026 70 T CB 0.071 68.898 68.868 -0.068 0.000 1.032 70 T HN 0.527 nan 8.240 nan 0.000 0.485 71 T N 5.729 120.265 114.554 -0.029 0.000 2.752 71 T HA 0.373 4.723 4.350 0.000 0.000 0.295 71 T C -2.596 171.921 174.700 -0.306 0.000 0.923 71 T CA -0.960 60.983 62.100 -0.262 0.000 1.112 71 T CB 0.936 69.409 68.868 -0.659 0.000 0.884 71 T HN 0.279 nan 8.240 nan 0.000 0.525 72 P HA 0.296 nan 4.420 nan 0.000 0.281 72 P C -0.141 177.045 177.300 -0.190 0.000 1.249 72 P CA -0.631 62.184 63.100 -0.476 0.000 0.810 72 P CB 1.078 32.505 31.700 -0.454 0.000 1.008 73 E N 0.654 120.772 120.200 -0.136 0.000 2.371 73 E HA 0.063 4.413 4.350 0.000 0.000 0.257 73 E C 0.713 177.335 176.600 0.037 0.000 1.134 73 E CA -0.374 56.081 56.400 0.092 0.000 0.919 73 E CB 0.230 29.975 29.700 0.074 0.000 1.025 73 E HN 0.375 nan 8.360 nan 0.000 0.438 74 F N 1.489 121.432 119.950 -0.011 0.000 2.120 74 F HA -0.241 4.287 4.527 0.000 0.000 0.300 74 F C 1.867 177.639 175.800 -0.046 0.000 1.095 74 F CA 1.399 59.384 58.000 -0.024 0.000 1.249 74 F CB -0.028 38.966 39.000 -0.011 0.000 0.995 74 F HN 0.403 nan 8.300 nan 0.000 0.480 75 L N -0.257 120.999 121.223 0.055 0.000 2.201 75 L HA -0.162 4.179 4.340 0.000 0.000 0.212 75 L C 2.240 179.025 176.870 -0.142 0.000 1.105 75 L CA 2.060 56.877 54.840 -0.039 0.000 0.775 75 L CB -0.805 41.276 42.059 0.037 0.000 0.913 75 L HN 0.162 nan 8.230 nan 0.000 0.440 76 T N -0.310 114.138 114.554 -0.177 0.000 2.770 76 T HA -0.165 4.186 4.350 0.000 0.000 0.263 76 T C 1.807 176.371 174.700 -0.227 0.000 1.039 76 T CA 1.500 63.456 62.100 -0.240 0.000 1.142 76 T CB -0.247 68.342 68.868 -0.466 0.000 0.868 76 T HN 0.490 nan 8.240 nan 0.000 0.435 77 R N 0.999 121.346 120.500 -0.255 0.000 2.189 77 R HA 0.051 4.391 4.340 0.000 0.000 0.223 77 R C 1.943 178.112 176.300 -0.218 0.000 1.092 77 R CA 0.879 56.852 56.100 -0.211 0.000 0.989 77 R CB -0.527 29.653 30.300 -0.200 0.000 0.876 77 R HN 0.262 nan 8.270 nan 0.000 0.457 78 I N 1.858 122.253 120.570 -0.292 0.000 2.233 78 I HA -0.126 4.044 4.170 0.000 0.000 0.243 78 I C 2.052 178.085 176.117 -0.140 0.000 1.093 78 I CA 1.353 62.507 61.300 -0.244 0.000 1.380 78 I CB -0.818 37.002 38.000 -0.299 0.000 1.067 78 I HN 0.197 nan 8.210 nan 0.000 0.413 79 K N 0.720 121.047 120.400 -0.121 0.000 2.057 79 K HA -0.108 4.212 4.320 0.000 0.000 0.207 79 K C 2.150 178.723 176.600 -0.045 0.000 1.049 79 K CA 1.149 57.394 56.287 -0.070 0.000 0.931 79 K CB -0.185 32.279 32.500 -0.059 0.000 0.714 79 K HN 0.230 nan 8.250 nan 0.000 0.440 80 L N 0.439 121.632 121.223 -0.050 0.000 2.217 80 L HA -0.132 4.208 4.340 0.000 0.000 0.211 80 L C 2.165 179.020 176.870 -0.023 0.000 1.107 80 L CA 0.282 55.113 54.840 -0.015 0.000 0.783 80 L CB -0.121 41.941 42.059 0.006 0.000 0.919 80 L HN 0.144 nan 8.230 nan 0.000 0.442 81 L N -0.914 120.280 121.223 -0.049 0.000 2.131 81 L HA -0.088 4.252 4.340 0.000 0.000 0.206 81 L C 1.892 178.739 176.870 -0.037 0.000 1.087 81 L CA 1.502 56.314 54.840 -0.047 0.000 0.767 81 L CB -0.002 42.017 42.059 -0.068 0.000 0.917 81 L HN 0.102 nan 8.230 nan 0.000 0.441 82 L N -0.807 120.392 121.223 -0.040 0.000 2.567 82 L HA 0.103 4.443 4.340 0.000 0.000 0.225 82 L C 0.916 177.775 176.870 -0.019 0.000 1.119 82 L CA 0.433 55.253 54.840 -0.034 0.000 0.871 82 L CB -0.443 41.591 42.059 -0.042 0.000 1.036 82 L HN 0.044 nan 8.230 nan 0.000 0.459 83 K N 2.466 122.861 120.400 -0.008 0.000 2.316 83 K HA 0.234 4.554 4.320 0.000 0.000 0.289 83 K C -2.174 174.436 176.600 0.017 0.000 1.070 83 K CA -1.523 54.772 56.287 0.014 0.000 0.928 83 K CB 0.712 33.227 32.500 0.025 0.000 1.039 83 K HN -0.092 nan 8.250 nan 0.000 0.480 84 P HA 0.046 nan 4.420 nan 0.000 0.277 84 P C -0.567 176.758 177.300 0.042 0.000 1.240 84 P CA -0.439 62.678 63.100 0.028 0.000 0.798 84 P CB 0.846 32.566 31.700 0.034 0.000 0.979 85 T N -1.189 113.387 114.554 0.036 0.000 2.900 85 T HA 0.142 4.492 4.350 0.000 0.000 0.307 85 T C -1.745 172.995 174.700 0.067 0.000 1.065 85 T CA -1.189 60.936 62.100 0.040 0.000 1.105 85 T CB -0.159 68.724 68.868 0.024 0.000 0.979 85 T HN 0.173 nan 8.240 nan 0.000 0.544 86 P HA -0.106 nan 4.420 nan 0.000 0.216 86 P C 1.376 178.756 177.300 0.134 0.000 1.150 86 P CA 0.952 64.112 63.100 0.100 0.000 0.843 86 P CB -0.023 31.723 31.700 0.077 0.000 0.787 87 N N -1.562 117.199 118.700 0.101 0.000 2.244 87 N HA -0.079 4.662 4.740 0.000 0.000 0.183 87 N C 1.596 177.218 175.510 0.186 0.000 1.016 87 N CA 1.366 54.492 53.050 0.126 0.000 0.866 87 N CB -1.062 37.466 38.487 0.068 0.000 0.980 87 N HN 0.178 nan 8.380 nan 0.000 0.430 88 T N 0.652 115.285 114.554 0.132 0.000 2.770 88 T HA -0.016 4.334 4.350 0.000 0.000 0.263 88 T C 2.184 177.007 174.700 0.206 0.000 1.039 88 T CA 0.788 62.969 62.100 0.134 0.000 1.142 88 T CB -0.299 68.609 68.868 0.066 0.000 0.868 88 T HN -0.044 nan 8.240 nan 0.000 0.435 89 V N 1.593 121.605 119.914 0.165 0.000 2.332 89 V HA -0.225 3.895 4.120 0.000 0.000 0.248 89 V C 2.433 178.608 176.094 0.135 0.000 1.055 89 V CA 1.769 64.151 62.300 0.137 0.000 1.038 89 V CB -0.799 31.084 31.823 0.101 0.000 0.651 89 V HN 0.623 nan 8.190 nan 0.000 0.450 90 H N -1.104 118.029 119.070 0.106 0.000 2.387 90 H HA -0.242 4.314 4.556 0.000 0.000 0.299 90 H C 2.285 177.725 175.328 0.186 0.000 1.090 90 H CA 2.390 58.512 56.048 0.124 0.000 1.332 90 H CB -0.128 29.737 29.762 0.172 0.000 1.386 90 H HN 0.552 nan 8.280 nan 0.000 0.516 91 Y N 1.048 121.485 120.300 0.228 0.000 2.145 91 Y HA -0.183 4.367 4.550 0.000 0.000 0.286 91 Y C 2.638 178.707 175.900 0.282 0.000 1.145 91 Y CA 1.917 60.153 58.100 0.225 0.000 1.148 91 Y CB -0.454 38.069 38.460 0.104 0.000 0.981 91 Y HN 0.100 nan 8.280 nan 0.000 0.507 92 I N -0.292 120.523 120.570 0.409 0.000 2.226 92 I HA -0.317 3.853 4.170 0.000 0.000 0.245 92 I C 2.169 178.611 176.117 0.542 0.000 1.100 92 I CA 1.277 62.892 61.300 0.525 0.000 1.374 92 I CB -0.409 37.841 38.000 0.417 0.000 1.057 92 I HN 0.234 nan 8.210 nan 0.000 0.413 93 L N 0.193 121.491 121.223 0.124 0.000 2.291 93 L HA -0.121 4.220 4.340 0.000 0.000 0.214 93 L C 2.202 178.884 176.870 -0.313 0.000 1.120 93 L CA 1.479 56.127 54.840 -0.320 0.000 0.799 93 L CB -0.531 40.932 42.059 -0.994 0.000 0.925 93 L HN 0.419 nan 8.230 nan 0.000 0.446 94 T N -5.227 109.203 114.554 -0.206 0.000 3.092 94 T HA 0.192 4.542 4.350 0.000 0.000 0.258 94 T C 0.303 174.802 174.700 -0.334 0.000 1.031 94 T CA -0.270 61.591 62.100 -0.399 0.000 0.925 94 T CB -0.082 68.521 68.868 -0.442 0.000 1.036 94 T HN 0.176 nan 8.240 nan 0.000 0.544 95 H N -0.656 118.410 119.070 -0.006 0.000 2.906 95 H HA 0.591 5.147 4.556 0.000 0.000 0.337 95 H C -0.664 174.775 175.328 0.185 0.000 1.257 95 H CA -1.728 54.221 56.048 -0.165 0.000 1.192 95 H CB 0.578 29.789 29.762 -0.918 0.000 1.912 95 H HN 0.054 nan 8.280 nan 0.000 0.573 96 F N -0.463 119.630 119.950 0.238 0.000 2.983 96 F HA -0.271 4.256 4.527 0.000 0.000 0.288 96 F C 1.551 177.423 175.800 0.120 0.000 0.980 96 F CA 0.537 58.607 58.000 0.116 0.000 0.965 96 F CB -1.033 37.978 39.000 0.018 0.000 0.967 96 F HN 0.527 nan 8.300 nan 0.000 0.800 97 K N 1.059 121.483 120.400 0.040 0.000 2.103 97 K HA -0.129 4.191 4.320 0.000 0.000 0.207 97 K C 2.273 178.880 176.600 0.012 0.000 1.048 97 K CA 1.569 57.743 56.287 -0.188 0.000 0.930 97 K CB -0.476 31.687 32.500 -0.562 0.000 0.716 97 K HN 0.603 nan 8.250 nan 0.000 0.444 98 G N 0.102 108.916 108.800 0.024 0.000 2.432 98 G HA2 -0.177 3.784 3.960 0.000 0.000 0.219 98 G HA3 -0.177 3.784 3.960 0.000 0.000 0.219 98 G C 1.404 176.324 174.900 0.035 0.000 1.135 98 G CA 0.813 45.930 45.100 0.030 0.000 0.767 98 G HN 0.194 nan 8.290 nan 0.000 0.550 99 V N -0.665 119.262 119.914 0.021 0.000 2.379 99 V HA -0.085 4.035 4.120 0.000 0.000 0.245 99 V C 2.373 178.411 176.094 -0.093 0.000 1.044 99 V CA 1.356 63.594 62.300 -0.103 0.000 1.036 99 V CB -0.700 30.970 31.823 -0.256 0.000 0.664 99 V HN 0.567 nan 8.190 nan 0.000 0.453 100 W N 0.402 121.755 121.300 0.088 0.000 2.374 100 W HA -0.143 4.517 4.660 0.000 0.000 0.288 100 W C 2.511 179.084 176.519 0.090 0.000 1.218 100 W CA 1.260 58.680 57.345 0.124 0.000 1.245 100 W CB -0.462 29.117 29.460 0.198 0.000 1.126 100 W HN 0.269 nan 8.180 nan 0.000 0.545 101 N N 0.856 119.706 118.700 0.250 0.000 2.166 101 N HA -0.174 4.566 4.740 0.000 0.000 0.186 101 N C 1.353 176.927 175.510 0.107 0.000 1.019 101 N CA 1.717 54.854 53.050 0.144 0.000 0.856 101 N CB -0.381 38.154 38.487 0.080 0.000 0.993 101 N HN 0.108 nan 8.380 nan 0.000 0.426 102 I N -0.892 119.726 120.570 0.079 0.000 2.286 102 I HA -0.172 3.999 4.170 0.000 0.000 0.245 102 I C 2.001 178.156 176.117 0.063 0.000 1.104 102 I CA 0.487 61.817 61.300 0.049 0.000 1.397 102 I CB -0.265 37.741 38.000 0.010 0.000 1.072 102 I HN -0.037 nan 8.210 nan 0.000 0.417 103 V N 1.086 121.051 119.914 0.085 0.000 2.332 103 V HA -0.257 3.863 4.120 0.000 0.000 0.248 103 V C 1.353 177.556 176.094 0.183 0.000 1.055 103 V CA 1.628 64.000 62.300 0.120 0.000 1.038 103 V CB -0.872 31.058 31.823 0.177 0.000 0.651 103 V HN 0.467 nan 8.190 nan 0.000 0.450 104 N N 0.691 119.520 118.700 0.216 0.000 2.648 104 N HA 0.047 4.787 4.740 0.000 0.000 0.210 104 N C 0.193 175.746 175.510 0.072 0.000 1.464 104 N CA 0.198 53.323 53.050 0.126 0.000 0.890 104 N CB -1.126 37.411 38.487 0.084 0.000 1.179 104 N HN 0.498 nan 8.380 nan 0.000 0.476 105 I N 0.229 120.840 120.570 0.068 0.000 2.750 105 I HA -0.287 3.883 4.170 0.000 0.000 0.126 105 I C -1.147 175.011 176.117 0.068 0.000 0.884 105 I CA -0.539 60.808 61.300 0.078 0.000 2.785 105 I CB -0.118 37.912 38.000 0.051 0.000 0.571 105 I HN 0.069 nan 8.210 nan 0.000 0.352 106 P HA -0.227 nan 4.420 nan 0.000 0.215 106 P C 1.490 178.872 177.300 0.137 0.000 1.153 106 P CA 1.618 64.788 63.100 0.117 0.000 0.853 106 P CB 0.046 31.824 31.700 0.130 0.000 0.788 107 F N -0.828 119.165 119.950 0.072 0.000 2.234 107 F HA -0.046 4.481 4.527 0.000 0.000 0.299 107 F C 1.813 177.662 175.800 0.083 0.000 1.087 107 F CA 1.111 59.153 58.000 0.068 0.000 1.340 107 F CB -1.306 37.725 39.000 0.051 0.000 1.031 107 F HN -0.234 nan 8.300 nan 0.000 0.500 108 L N 0.355 121.035 121.223 -0.906 0.000 2.072 108 L HA -0.084 4.256 4.340 0.000 0.000 0.205 108 L C 2.947 179.733 176.870 -0.139 0.000 1.079 108 L CA 1.389 55.808 54.840 -0.702 0.000 0.752 108 L CB -0.627 41.086 42.059 -0.578 0.000 0.906 108 L HN 0.152 nan 8.230 nan 0.000 0.436 109 R N -0.422 120.101 120.500 0.038 0.000 2.091 109 R HA -0.166 4.174 4.340 0.000 0.000 0.238 109 R C 2.374 178.824 176.300 0.249 0.000 1.136 109 R CA 1.830 58.096 56.100 0.278 0.000 0.959 109 R CB -0.099 30.297 30.300 0.161 0.000 0.856 109 R HN 0.222 nan 8.270 nan 0.000 0.437 110 S N 0.956 116.731 115.700 0.125 0.000 2.368 110 S HA -0.120 4.350 4.470 0.000 0.000 0.225 110 S C 1.793 176.456 174.600 0.105 0.000 1.030 110 S CA 1.015 59.283 58.200 0.114 0.000 0.999 110 S CB -0.166 63.096 63.200 0.104 0.000 0.844 110 S HN 0.338 nan 8.310 nan 0.000 0.459 111 L N 1.172 122.434 121.223 0.065 0.000 2.056 111 L HA -0.094 4.247 4.340 0.000 0.000 0.207 111 L C 1.876 178.779 176.870 0.055 0.000 1.078 111 L CA 1.139 56.011 54.840 0.052 0.000 0.749 111 L CB -0.238 41.816 42.059 -0.010 0.000 0.901 111 L HN 0.255 nan 8.230 nan 0.000 0.433 112 I N -0.861 119.725 120.570 0.026 0.000 2.202 112 I HA -0.287 3.884 4.170 0.000 0.000 0.242 112 I C 2.496 178.641 176.117 0.046 0.000 1.091 112 I CA 1.446 62.710 61.300 -0.060 0.000 1.368 112 I CB -1.008 36.763 38.000 -0.382 0.000 1.058 112 I HN 0.399 nan 8.210 nan 0.000 0.410 113 M N 0.968 120.695 119.600 0.211 0.000 2.213 113 M HA -0.185 4.295 4.480 0.000 0.000 0.263 113 M C 2.164 178.543 176.300 0.132 0.000 1.062 113 M CA 1.685 57.136 55.300 0.251 0.000 1.105 113 M CB -0.544 32.233 32.600 0.295 0.000 1.385 113 M HN 0.043 nan 8.290 nan 0.000 0.417 114 K N -1.454 119.010 120.400 0.107 0.000 2.032 114 K HA -0.245 4.075 4.320 0.000 0.000 0.209 114 K C 2.126 178.780 176.600 0.089 0.000 1.048 114 K CA 1.893 58.223 56.287 0.071 0.000 0.927 114 K CB -0.489 32.060 32.500 0.081 0.000 0.712 114 K HN 0.432 nan 8.250 nan 0.000 0.441 115 Y N 0.787 121.090 120.300 0.005 0.000 2.181 115 Y HA -0.215 4.335 4.550 0.000 0.000 0.288 115 Y C 2.036 177.944 175.900 0.013 0.000 1.146 115 Y CA 1.489 59.588 58.100 -0.001 0.000 1.164 115 Y CB -0.431 38.014 38.460 -0.024 0.000 0.982 115 Y HN -0.046 nan 8.280 nan 0.000 0.515 116 V N 0.432 120.368 119.914 0.037 0.000 2.343 116 V HA -0.278 3.842 4.120 0.000 0.000 0.247 116 V C 2.118 178.195 176.094 -0.029 0.000 1.051 116 V CA 2.233 64.528 62.300 -0.007 0.000 1.036 116 V CB -0.585 31.301 31.823 0.105 0.000 0.654 116 V HN 0.530 nan 8.190 nan 0.000 0.451 117 L N 0.605 121.826 121.223 -0.003 0.000 2.046 117 L HA -0.130 4.211 4.340 0.000 0.000 0.208 117 L C 2.813 179.676 176.870 -0.011 0.000 1.077 117 L CA 2.241 57.075 54.840 -0.010 0.000 0.747 117 L CB -1.056 40.967 42.059 -0.060 0.000 0.896 117 L HN 0.625 nan 8.230 nan 0.000 0.432 118 T N -3.725 110.795 114.554 -0.056 0.000 2.851 118 T HA -0.112 4.238 4.350 0.000 0.000 0.262 118 T C 2.049 176.706 174.700 -0.071 0.000 1.043 118 T CA 1.023 63.109 62.100 -0.023 0.000 1.140 118 T CB -0.448 68.401 68.868 -0.031 0.000 0.872 118 T HN 0.403 nan 8.240 nan 0.000 0.446 119 S N 1.649 117.187 115.700 -0.271 0.000 2.406 119 S HA 0.007 4.478 4.470 0.000 0.000 0.228 119 S C 2.249 176.808 174.600 -0.068 0.000 1.020 119 S CA 0.017 58.044 58.200 -0.289 0.000 0.965 119 S CB -0.382 62.414 63.200 -0.674 0.000 0.798 119 S HN 0.267 nan 8.310 nan 0.000 0.488 120 R N 1.680 122.157 120.500 -0.038 0.000 2.062 120 R HA 0.187 4.527 4.340 0.000 0.000 0.229 120 R C 2.595 178.929 176.300 0.057 0.000 1.128 120 R CA 1.401 57.520 56.100 0.031 0.000 0.960 120 R CB -1.444 28.882 30.300 0.044 0.000 0.855 120 R HN 0.491 nan 8.270 nan 0.000 0.432 121 S N 0.732 116.488 115.700 0.093 0.000 2.447 121 S HA -0.141 4.329 4.470 0.000 0.000 0.233 121 S C 1.584 176.217 174.600 0.055 0.000 1.006 121 S CA 0.649 58.913 58.200 0.107 0.000 0.957 121 S CB -0.347 63.023 63.200 0.282 0.000 0.773 121 S HN 0.359 nan 8.310 nan 0.000 0.507 122 Y N 1.966 122.242 120.300 -0.041 0.000 2.333 122 Y HA -0.051 4.499 4.550 0.000 0.000 0.290 122 Y C 1.666 177.505 175.900 -0.101 0.000 1.144 122 Y CA 0.926 58.986 58.100 -0.066 0.000 1.228 122 Y CB -0.176 38.250 38.460 -0.058 0.000 0.985 122 Y HN 0.137 nan 8.280 nan 0.000 0.542 123 L N 0.483 121.635 121.223 -0.119 0.000 2.465 123 L HA -0.041 4.300 4.340 0.000 0.000 0.224 123 L C 0.143 176.803 176.870 -0.351 0.000 1.145 123 L CA 0.735 55.408 54.840 -0.278 0.000 0.834 123 L CB -0.868 41.094 42.059 -0.162 0.000 0.944 123 L HN 0.134 nan 8.230 nan 0.000 0.451 124 I N 0.325 120.753 120.570 -0.237 0.000 2.359 124 I HA 0.174 4.345 4.170 0.000 0.000 0.294 124 I C -0.055 175.947 176.117 -0.191 0.000 0.987 124 I CA -1.027 60.169 61.300 -0.173 0.000 1.225 124 I CB 1.158 39.107 38.000 -0.086 0.000 1.366 124 I HN -0.111 nan 8.210 nan 0.000 0.466 125 D N 4.389 124.695 120.400 -0.156 0.000 2.358 125 D HA 0.167 4.807 4.640 0.000 0.000 0.258 125 D C 0.062 176.280 176.300 -0.136 0.000 1.223 125 D CA 0.454 54.357 54.000 -0.162 0.000 0.886 125 D CB 0.974 41.682 40.800 -0.153 0.000 1.120 125 D HN 0.363 nan 8.370 nan 0.000 0.482 126 S N 2.606 118.212 115.700 -0.157 0.000 2.750 126 S HA 0.421 4.891 4.470 0.000 0.000 0.276 126 S C -2.661 171.857 174.600 -0.137 0.000 1.165 126 S CA -1.312 56.799 58.200 -0.148 0.000 1.047 126 S CB 0.851 63.928 63.200 -0.204 0.000 1.056 126 S HN 0.032 nan 8.310 nan 0.000 0.481 127 P HA 0.230 nan 4.420 nan 0.000 0.267 127 P C -2.478 174.782 177.300 -0.067 0.000 1.200 127 P CA -0.758 62.319 63.100 -0.039 0.000 0.772 127 P CB -0.056 31.626 31.700 -0.030 0.000 0.855 128 P HA 0.019 nan 4.420 nan 0.000 0.272 128 P C 0.069 177.282 177.300 -0.144 0.000 1.240 128 P CA 0.001 63.043 63.100 -0.097 0.000 0.791 128 P CB 0.747 32.375 31.700 -0.121 0.000 0.978 129 T N -1.468 112.943 114.554 -0.238 0.000 3.330 129 T HA 0.203 4.553 4.350 0.000 0.000 0.185 129 T C 0.593 175.043 174.700 -0.415 0.000 0.874 129 T CA 0.050 61.875 62.100 -0.457 0.000 1.268 129 T CB -0.849 67.523 68.868 -0.826 0.000 1.866 129 T HN 0.269 nan 8.240 nan 0.000 0.395 130 Y N 3.587 123.835 120.300 -0.086 0.000 2.298 130 Y HA 0.566 5.117 4.550 0.001 0.000 0.329 130 Y C 0.915 176.746 175.900 -0.116 0.000 1.293 130 Y CA -0.683 57.356 58.100 -0.101 0.000 1.388 130 Y CB 0.479 38.894 38.460 -0.076 0.000 1.309 130 Y HN 0.730 nan 8.280 nan 0.000 0.544 131 N N -2.174 116.546 118.700 0.032 0.000 3.387 131 N HA 0.168 4.909 4.740 0.000 0.000 0.322 131 N C -0.099 175.372 175.510 -0.066 0.000 1.588 131 N CA -0.697 52.314 53.050 -0.065 0.000 0.778 131 N CB 0.303 38.618 38.487 -0.287 0.000 1.883 131 N HN 0.416 nan 8.380 nan 0.000 0.628 132 V N -0.328 119.524 119.914 -0.103 0.000 2.490 132 V HA -0.186 3.934 4.120 0.000 0.000 0.250 132 V C 1.108 177.093 176.094 -0.181 0.000 1.061 132 V CA 1.980 64.189 62.300 -0.153 0.000 1.064 132 V CB -0.915 30.759 31.823 -0.247 0.000 0.670 132 V HN 0.689 nan 8.190 nan 0.000 0.461 133 H N -2.959 116.070 119.070 -0.069 0.000 2.575 133 H HA 0.261 4.817 4.556 0.000 0.000 0.267 133 H C -0.608 174.357 175.328 -0.605 0.000 0.966 133 H CA -0.027 55.873 56.048 -0.247 0.000 1.165 133 H CB 0.368 30.020 29.762 -0.183 0.000 1.433 133 H HN 0.482 nan 8.280 nan 0.000 0.544 134 Y N -0.410 119.801 120.300 -0.149 0.000 2.327 134 Y HA 0.310 4.861 4.550 0.000 0.000 0.325 134 Y C 0.892 176.659 175.900 -0.221 0.000 0.999 134 Y CA -0.850 57.044 58.100 -0.344 0.000 1.195 134 Y CB 1.930 40.115 38.460 -0.457 0.000 1.132 134 Y HN 0.080 nan 8.280 nan 0.000 0.455 135 G N 2.289 111.020 108.800 -0.116 0.000 3.042 135 G HA2 0.071 4.031 3.960 0.000 0.000 0.212 135 G HA3 0.071 4.031 3.960 0.000 0.000 0.212 135 G C -0.339 174.584 174.900 0.039 0.000 1.166 135 G CA 0.223 45.254 45.100 -0.115 0.000 0.767 135 G HN 0.570 nan 8.290 nan 0.000 0.546 136 Y N -1.958 118.514 120.300 0.286 0.000 2.536 136 Y HA 0.720 5.270 4.550 0.000 0.000 0.347 136 Y C -0.065 176.033 175.900 0.330 0.000 1.000 136 Y CA -2.203 56.101 58.100 0.341 0.000 1.051 136 Y CB 1.172 39.748 38.460 0.193 0.000 1.259 136 Y HN -0.266 nan 8.280 nan 0.000 0.468 137 K N 2.097 122.691 120.400 0.323 0.000 2.401 137 K HA 0.457 4.778 4.320 0.000 0.000 0.278 137 K C -0.411 176.258 176.600 0.116 0.000 1.018 137 K CA 0.255 56.566 56.287 0.039 0.000 0.981 137 K CB 0.568 33.038 32.500 -0.051 0.000 0.933 137 K HN 0.926 nan 8.250 nan 0.000 0.477 138 S N 1.356 117.016 115.700 -0.066 0.000 2.596 138 S HA 0.187 4.657 4.470 0.000 0.000 0.270 138 S C 0.087 174.651 174.600 -0.061 0.000 1.155 138 S CA -1.110 57.066 58.200 -0.041 0.000 0.827 138 S CB 0.561 63.627 63.200 -0.224 0.000 1.130 138 S HN 0.883 nan 8.310 nan 0.000 0.467 139 W N 1.156 122.395 121.300 -0.101 0.000 2.402 139 W HA -0.067 4.593 4.660 0.000 0.000 0.286 139 W C 1.594 178.083 176.519 -0.050 0.000 1.221 139 W CA 2.178 59.509 57.345 -0.024 0.000 1.257 139 W CB -0.107 29.357 29.460 0.006 0.000 1.120 139 W HN 1.048 nan 8.180 nan 0.000 0.551 140 E N 0.873 121.015 120.200 -0.096 0.000 2.077 140 E HA -0.171 4.179 4.350 0.000 0.000 0.193 140 E C 2.207 178.583 176.600 -0.373 0.000 0.989 140 E CA 2.363 58.643 56.400 -0.200 0.000 0.800 140 E CB -0.678 28.879 29.700 -0.237 0.000 0.746 140 E HN 0.082 nan 8.360 nan 0.000 0.452 141 A N -0.254 122.207 122.820 -0.599 0.000 1.933 141 A HA -0.106 4.215 4.320 0.000 0.000 0.218 141 A C 2.181 179.549 177.584 -0.360 0.000 1.175 141 A CA 1.409 53.137 52.037 -0.515 0.000 0.628 141 A CB -0.874 17.834 19.000 -0.487 0.000 0.814 141 A HN 0.481 nan 8.150 nan 0.000 0.444 142 F N 1.755 121.399 119.950 -0.510 0.000 2.128 142 F HA -0.124 4.404 4.527 0.000 0.000 0.295 142 F C 2.652 178.126 175.800 -0.543 0.000 1.100 142 F CA 2.051 59.717 58.000 -0.558 0.000 1.260 142 F CB -0.367 38.188 39.000 -0.742 0.000 1.009 142 F HN 0.278 nan 8.300 nan 0.000 0.476 143 S N -0.445 114.791 115.700 -0.773 0.000 2.425 143 S HA -0.061 4.409 4.470 0.000 0.000 0.225 143 S C 1.024 175.412 174.600 -0.352 0.000 1.024 143 S CA 0.236 58.029 58.200 -0.679 0.000 0.951 143 S CB -0.845 62.123 63.200 -0.388 0.000 0.796 143 S HN 0.373 nan 8.310 nan 0.000 0.498 144 N N 1.931 120.521 118.700 -0.182 0.000 2.399 144 N HA 0.190 4.930 4.740 0.000 0.000 0.259 144 N C 0.413 175.947 175.510 0.039 0.000 1.160 144 N CA -0.041 53.031 53.050 0.036 0.000 0.946 144 N CB 0.445 39.108 38.487 0.294 0.000 1.156 144 N HN 0.410 nan 8.380 nan 0.000 0.489 145 L N 1.752 122.973 121.223 -0.004 0.000 2.554 145 L HA 0.015 4.355 4.340 0.000 0.000 0.226 145 L C 1.762 178.730 176.870 0.162 0.000 1.137 145 L CA 0.228 55.091 54.840 0.038 0.000 0.863 145 L CB -0.020 42.049 42.059 0.016 0.000 0.985 145 L HN 0.403 nan 8.230 nan 0.000 0.451 146 S N -1.398 114.365 115.700 0.105 0.000 2.489 146 S HA 0.000 4.471 4.470 0.000 0.000 0.228 146 S C 0.414 175.011 174.600 -0.005 0.000 0.995 146 S CA 0.345 58.570 58.200 0.042 0.000 0.934 146 S CB -0.138 63.088 63.200 0.043 0.000 0.771 146 S HN 0.223 nan 8.310 nan 0.000 0.522 147 Y N 0.370 120.662 120.300 -0.014 0.000 2.304 147 Y HA 0.307 4.857 4.550 0.000 0.000 0.327 147 Y C 0.160 175.983 175.900 -0.129 0.000 1.209 147 Y CA -0.915 57.061 58.100 -0.207 0.000 1.299 147 Y CB 0.305 38.651 38.460 -0.192 0.000 1.249 147 Y HN 0.057 nan 8.280 nan 0.000 0.519 148 Y N 0.807 121.161 120.300 0.089 0.000 2.346 148 Y HA 0.102 4.652 4.550 0.001 0.000 0.330 148 Y C 1.002 176.940 175.900 0.064 0.000 1.178 148 Y CA -0.064 58.104 58.100 0.113 0.000 1.331 148 Y CB 0.662 39.151 38.460 0.049 0.000 1.253 148 Y HN 0.549 nan 8.280 nan 0.000 0.529 149 T N 3.350 118.030 114.554 0.209 0.000 2.754 149 T HA 0.418 4.769 4.350 0.000 0.000 0.286 149 T C -0.337 174.423 174.700 0.099 0.000 0.997 149 T CA -0.657 61.492 62.100 0.083 0.000 0.982 149 T CB 0.320 69.195 68.868 0.013 0.000 1.027 149 T HN 0.450 nan 8.240 nan 0.000 0.529 150 R N 0.911 121.468 120.500 0.095 0.000 2.532 150 R HA 0.539 4.879 4.340 0.000 0.000 0.297 150 R C 0.715 177.137 176.300 0.203 0.000 0.984 150 R CA -0.444 55.724 56.100 0.115 0.000 0.884 150 R CB 1.438 31.779 30.300 0.068 0.000 1.182 150 R HN 0.722 nan 8.270 nan 0.000 0.442 151 A N 3.704 126.698 122.820 0.290 0.000 1.930 151 A HA 0.060 4.380 4.320 0.000 0.000 0.217 151 A C 0.732 178.436 177.584 0.201 0.000 1.175 151 A CA 1.089 53.340 52.037 0.356 0.000 0.627 151 A CB 0.126 19.548 19.000 0.703 0.000 0.815 151 A HN 0.491 nan 8.150 nan 0.000 0.443 152 L N 0.284 121.586 121.223 0.131 0.000 2.362 152 L HA 0.381 4.721 4.340 0.000 0.000 0.271 152 L C -2.472 174.297 176.870 -0.168 0.000 1.002 152 L CA -2.646 52.114 54.840 -0.133 0.000 0.818 152 L CB 2.463 44.215 42.059 -0.513 0.000 1.298 152 L HN 0.016 nan 8.230 nan 0.000 0.420 153 P HA 0.118 nan 4.420 nan 0.000 0.269 153 P C -2.663 174.489 177.300 -0.247 0.000 1.209 153 P CA -1.160 61.662 63.100 -0.463 0.000 0.776 153 P CB -0.256 30.955 31.700 -0.814 0.000 0.876 154 P HA 0.011 nan 4.420 nan 0.000 0.272 154 P C -0.211 177.049 177.300 -0.067 0.000 1.223 154 P CA 0.025 63.080 63.100 -0.074 0.000 0.784 154 P CB 0.358 32.037 31.700 -0.036 0.000 0.923 155 V N 2.037 121.940 119.914 -0.019 0.000 2.529 155 V HA 0.144 4.264 4.120 0.000 0.000 0.292 155 V C 1.236 177.332 176.094 0.003 0.000 1.028 155 V CA -0.157 62.136 62.300 -0.012 0.000 1.074 155 V CB -0.193 31.642 31.823 0.019 0.000 0.958 155 V HN 0.738 nan 8.190 nan 0.000 0.481 156 A N 3.925 126.743 122.820 -0.003 0.000 2.520 156 A HA 0.080 4.401 4.320 0.000 0.000 0.235 156 A C 1.196 178.798 177.584 0.029 0.000 1.065 156 A CA -0.202 51.846 52.037 0.017 0.000 0.764 156 A CB -0.047 18.965 19.000 0.020 0.000 1.002 156 A HN 0.902 nan 8.150 nan 0.000 0.502 157 D N 0.641 121.064 120.400 0.039 0.000 2.218 157 D HA -0.137 4.503 4.640 0.000 0.000 0.204 157 D C 1.109 177.433 176.300 0.040 0.000 0.976 157 D CA 1.744 55.770 54.000 0.043 0.000 0.853 157 D CB 0.014 40.843 40.800 0.048 0.000 0.939 157 D HN 0.801 nan 8.370 nan 0.000 0.481 158 D N -0.229 120.196 120.400 0.040 0.000 2.328 158 D HA -0.049 4.591 4.640 0.000 0.000 0.221 158 D C 0.105 176.427 176.300 0.036 0.000 1.072 158 D CA -0.260 53.764 54.000 0.040 0.000 0.850 158 D CB -0.559 40.270 40.800 0.048 0.000 0.922 158 D HN -0.006 nan 8.370 nan 0.000 0.516 159 c N 2.845 121.463 118.600 0.030 0.000 2.662 159 c HA 0.112 4.683 4.570 0.000 0.000 0.420 159 c C -0.227 173.879 174.090 0.026 0.000 1.314 159 c CA -1.012 55.332 56.329 0.024 0.000 1.963 159 c CB 1.108 43.628 42.510 0.017 0.000 2.686 159 c HN 0.298 nan 8.230 nan 0.000 0.609 160 P HA -0.057 nan 4.420 nan 0.000 0.218 160 P C 0.495 177.810 177.300 0.026 0.000 1.149 160 P CA 1.544 64.659 63.100 0.025 0.000 0.817 160 P CB -0.115 31.598 31.700 0.023 0.000 0.785 161 T N -5.833 108.738 114.554 0.028 0.000 2.924 161 T HA 0.468 4.818 4.350 0.000 0.000 0.291 161 T C -2.366 172.358 174.700 0.041 0.000 1.045 161 T CA -2.238 59.883 62.100 0.035 0.000 1.015 161 T CB 2.060 70.951 68.868 0.038 0.000 1.103 161 T HN -0.305 nan 8.240 nan 0.000 0.496 162 P HA -0.002 nan 4.420 nan 0.000 0.218 162 P C 1.288 178.631 177.300 0.072 0.000 1.148 162 P CA 0.999 64.136 63.100 0.062 0.000 0.822 162 P CB 0.022 31.764 31.700 0.069 0.000 0.784 163 M N -2.593 117.050 119.600 0.072 0.000 2.495 163 M HA 0.290 4.771 4.480 0.000 0.000 0.237 163 M C 1.332 177.653 176.300 0.034 0.000 1.131 163 M CA 0.618 55.960 55.300 0.070 0.000 1.032 163 M CB -0.509 32.144 32.600 0.088 0.000 1.513 163 M HN 0.087 nan 8.290 nan 0.000 0.488 164 G N 0.266 109.081 108.800 0.026 0.000 1.676 164 G HA2 -0.201 3.759 3.960 0.000 0.000 0.199 164 G HA3 -0.201 3.759 3.960 0.000 0.000 0.199 164 G C 0.325 175.230 174.900 0.008 0.000 1.990 164 G CA 0.255 45.357 45.100 0.004 0.000 1.393 164 G HN 0.299 nan 8.290 nan 0.000 0.449 165 V N -1.359 118.557 119.914 0.004 0.000 3.572 165 V HA 0.519 4.639 4.120 0.000 0.000 0.260 165 V C 0.848 176.954 176.094 0.020 0.000 1.324 165 V CA 1.187 63.493 62.300 0.010 0.000 1.068 165 V CB 0.090 31.913 31.823 0.000 0.000 0.837 165 V HN 0.405 nan 8.190 nan 0.000 0.450 166 K N 1.607 122.022 120.400 0.024 0.000 2.154 166 K HA 0.573 4.893 4.320 0.000 0.000 0.264 166 K C 0.725 177.358 176.600 0.055 0.000 1.008 166 K CA 0.707 57.015 56.287 0.037 0.000 0.937 166 K CB 0.847 33.368 32.500 0.035 0.000 1.002 166 K HN 0.725 nan 8.250 nan 0.000 0.469 167 G N 1.509 110.347 108.800 0.063 0.000 2.741 167 G HA2 -0.234 3.727 3.960 0.000 0.000 0.222 167 G HA3 -0.234 3.727 3.960 0.000 0.000 0.222 167 G C -0.652 174.282 174.900 0.056 0.000 1.364 167 G CA -0.827 44.320 45.100 0.078 0.000 0.866 167 G HN 0.644 nan 8.290 nan 0.000 0.555 168 N N -0.143 118.589 118.700 0.052 0.000 2.381 168 N HA 0.255 4.995 4.740 0.000 0.000 0.254 168 N C 1.429 176.956 175.510 0.028 0.000 1.264 168 N CA -0.012 53.057 53.050 0.031 0.000 0.942 168 N CB 0.806 39.303 38.487 0.016 0.000 1.190 168 N HN 0.628 nan 8.380 nan 0.000 0.495 169 K N 0.098 120.509 120.400 0.019 0.000 2.097 169 K HA -0.023 4.297 4.320 0.000 0.000 0.206 169 K C -0.149 176.461 176.600 0.016 0.000 1.049 169 K CA 1.268 57.567 56.287 0.019 0.000 0.933 169 K CB 0.240 32.748 32.500 0.014 0.000 0.717 169 K HN 0.462 nan 8.250 nan 0.000 0.442 170 E N 0.401 120.605 120.200 0.006 0.000 2.199 170 E HA 0.182 4.532 4.350 0.000 0.000 0.269 170 E C -0.557 176.034 176.600 -0.016 0.000 0.899 170 E CA -0.572 55.826 56.400 -0.003 0.000 0.772 170 E CB 1.688 31.380 29.700 -0.013 0.000 1.155 170 E HN 0.098 nan 8.360 nan 0.000 0.408 171 L N 3.178 124.392 121.223 -0.014 0.000 2.464 171 L HA 0.188 4.528 4.340 0.000 0.000 0.264 171 L C -1.859 174.937 176.870 -0.125 0.000 1.199 171 L CA -1.579 53.233 54.840 -0.047 0.000 0.818 171 L CB -0.071 41.994 42.059 0.009 0.000 1.102 171 L HN 0.187 nan 8.230 nan 0.000 0.473 172 P HA -0.076 nan 4.420 nan 0.000 0.265 172 P C -0.676 176.521 177.300 -0.171 0.000 1.187 172 P CA -0.147 62.779 63.100 -0.289 0.000 0.766 172 P CB 0.276 31.634 31.700 -0.571 0.000 0.820 173 D N 1.486 121.815 120.400 -0.118 0.000 2.531 173 D HA -0.076 4.564 4.640 0.000 0.000 0.239 173 D C 1.062 177.326 176.300 -0.060 0.000 1.144 173 D CA 0.559 54.516 54.000 -0.071 0.000 0.869 173 D CB 0.758 41.524 40.800 -0.056 0.000 1.160 173 D HN 0.359 nan 8.370 nan 0.000 0.484 174 S N 4.166 119.845 115.700 -0.035 0.000 2.382 174 S HA -0.224 4.246 4.470 0.000 0.000 0.228 174 S C 1.769 176.369 174.600 -0.001 0.000 1.027 174 S CA 0.887 59.082 58.200 -0.009 0.000 0.991 174 S CB -0.029 63.169 63.200 -0.004 0.000 0.823 174 S HN 0.605 nan 8.310 nan 0.000 0.469 175 K N 0.981 121.375 120.400 -0.010 0.000 2.097 175 K HA -0.094 4.226 4.320 0.000 0.000 0.206 175 K C 2.176 178.770 176.600 -0.009 0.000 1.049 175 K CA 1.322 57.605 56.287 -0.006 0.000 0.933 175 K CB -0.062 32.431 32.500 -0.011 0.000 0.717 175 K HN 0.354 nan 8.250 nan 0.000 0.442 176 E N 0.344 120.531 120.200 -0.022 0.000 2.031 176 E HA -0.160 4.190 4.350 0.000 0.000 0.193 176 E C 2.125 178.715 176.600 -0.017 0.000 0.994 176 E CA 1.233 57.616 56.400 -0.028 0.000 0.800 176 E CB -0.335 29.335 29.700 -0.050 0.000 0.752 176 E HN 0.126 nan 8.360 nan 0.000 0.447 177 V N 2.722 122.630 119.914 -0.011 0.000 2.332 177 V HA -0.238 3.882 4.120 0.000 0.000 0.248 177 V C 2.530 178.651 176.094 0.044 0.000 1.055 177 V CA 1.438 63.758 62.300 0.034 0.000 1.038 177 V CB -0.657 31.214 31.823 0.081 0.000 0.651 177 V HN 0.272 nan 8.190 nan 0.000 0.450 178 L N 0.224 121.470 121.223 0.039 0.000 2.046 178 L HA -0.190 4.150 4.340 0.000 0.000 0.208 178 L C 2.446 179.330 176.870 0.024 0.000 1.077 178 L CA 2.237 57.102 54.840 0.042 0.000 0.747 178 L CB -0.611 41.471 42.059 0.038 0.000 0.896 178 L HN 0.468 nan 8.230 nan 0.000 0.432 179 E N -0.803 119.403 120.200 0.011 0.000 2.170 179 E HA -0.132 4.219 4.350 0.000 0.000 0.191 179 E C 2.076 178.676 176.600 -0.000 0.000 0.981 179 E CA 0.352 56.754 56.400 0.003 0.000 0.830 179 E CB 0.235 29.933 29.700 -0.003 0.000 0.775 179 E HN 0.388 nan 8.360 nan 0.000 0.470 180 K N 0.478 120.877 120.400 -0.002 0.000 2.062 180 K HA -0.073 4.247 4.320 0.000 0.000 0.205 180 K C 2.093 178.689 176.600 -0.007 0.000 1.051 180 K CA 1.478 57.760 56.287 -0.008 0.000 0.941 180 K CB 0.187 32.678 32.500 -0.015 0.000 0.719 180 K HN 0.203 nan 8.250 nan 0.000 0.440 181 V N -3.541 116.374 119.914 0.001 0.000 3.426 181 V HA 0.190 4.310 4.120 0.000 0.000 0.279 181 V C 1.521 177.612 176.094 -0.006 0.000 1.544 181 V CA -0.061 62.237 62.300 -0.004 0.000 1.017 181 V CB -0.079 31.743 31.823 -0.002 0.000 0.821 181 V HN -0.012 nan 8.190 nan 0.000 0.432 182 L N 0.012 121.239 121.223 0.006 0.000 2.362 182 L HA 0.409 4.749 4.340 0.000 0.000 0.204 182 L C 0.972 177.854 176.870 0.020 0.000 1.060 182 L CA 0.262 55.108 54.840 0.009 0.000 0.827 182 L CB 0.194 42.270 42.059 0.027 0.000 1.027 182 L HN 0.187 nan 8.230 nan 0.000 0.474 183 L N 1.557 122.791 121.223 0.020 0.000 2.453 183 L HA 0.060 4.400 4.340 0.000 0.000 0.272 183 L C 0.786 177.668 176.870 0.020 0.000 1.182 183 L CA 0.083 54.935 54.840 0.020 0.000 0.858 183 L CB 0.392 42.458 42.059 0.012 0.000 1.120 183 L HN 0.211 nan 8.230 nan 0.000 0.474 184 R N 2.849 123.368 120.500 0.031 0.000 2.489 184 R HA 0.059 4.399 4.340 0.000 0.000 0.287 184 R C 0.587 176.906 176.300 0.032 0.000 1.053 184 R CA -0.301 55.823 56.100 0.041 0.000 1.036 184 R CB 0.651 30.997 30.300 0.078 0.000 0.966 184 R HN 0.599 nan 8.270 nan 0.000 0.432 185 R N 3.123 123.639 120.500 0.026 0.000 2.015 185 R HA 0.136 4.476 4.340 0.000 0.000 0.212 185 R C 0.116 176.438 176.300 0.038 0.000 1.304 185 R CA 0.942 57.056 56.100 0.022 0.000 1.040 185 R CB -0.328 29.977 30.300 0.009 0.000 0.915 185 R HN 0.663 nan 8.270 nan 0.000 0.465 186 E N 0.533 120.755 120.200 0.037 0.000 2.212 186 E HA 0.232 4.582 4.350 0.000 0.000 0.270 186 E C -1.144 175.513 176.600 0.095 0.000 0.956 186 E CA -0.824 55.614 56.400 0.064 0.000 0.825 186 E CB 1.679 31.401 29.700 0.037 0.000 1.167 186 E HN 0.006 nan 8.360 nan 0.000 0.400 187 F N 2.818 122.758 119.950 -0.016 0.000 2.571 187 F HA 0.141 4.669 4.527 0.000 0.000 0.384 187 F C -0.397 175.387 175.800 -0.027 0.000 1.058 187 F CA -0.053 57.935 58.000 -0.020 0.000 1.200 187 F CB 0.221 39.205 39.000 -0.026 0.000 1.077 187 F HN 0.310 nan 8.300 nan 0.000 0.558 188 I N 9.482 129.677 120.570 -0.624 0.000 2.307 188 I HA 0.254 4.425 4.170 0.000 0.000 0.289 188 I C -2.006 173.524 176.117 -0.979 0.000 1.021 188 I CA -2.164 58.776 61.300 -0.599 0.000 1.224 188 I CB 0.833 38.645 38.000 -0.314 0.000 1.376 188 I HN 0.442 nan 8.210 nan 0.000 0.470 189 P HA 0.049 nan 4.420 nan 0.000 0.274 189 P C -0.820 176.275 177.300 -0.343 0.000 1.237 189 P CA -0.303 62.431 63.100 -0.611 0.000 0.793 189 P CB 0.864 32.418 31.700 -0.244 0.000 0.977 190 D N 2.270 122.529 120.400 -0.235 0.000 2.343 190 D HA 0.074 4.715 4.640 0.000 0.000 0.255 190 D C -1.193 175.000 176.300 -0.179 0.000 1.187 190 D CA -2.095 51.773 54.000 -0.220 0.000 0.875 190 D CB 0.440 41.109 40.800 -0.218 0.000 1.136 190 D HN 0.159 nan 8.370 nan 0.000 0.469 191 P HA -0.139 nan 4.420 nan 0.000 0.221 191 P C 0.974 178.185 177.300 -0.148 0.000 1.150 191 P CA 0.893 63.905 63.100 -0.147 0.000 0.800 191 P CB 0.318 31.932 31.700 -0.143 0.000 0.787 192 Q N -0.812 118.864 119.800 -0.207 0.000 2.488 192 Q HA 0.110 4.450 4.340 0.000 0.000 0.211 192 Q C 0.965 176.902 176.000 -0.104 0.000 0.967 192 Q CA 0.630 56.297 55.803 -0.226 0.000 0.926 192 Q CB -0.476 28.014 28.738 -0.413 0.000 0.992 192 Q HN 0.277 nan 8.270 nan 0.000 0.506 193 G N 0.962 109.711 108.800 -0.085 0.000 2.160 193 G HA2 -0.248 3.713 3.960 0.000 0.000 0.244 193 G HA3 -0.248 3.713 3.960 0.000 0.000 0.244 193 G C -0.156 174.740 174.900 -0.007 0.000 1.022 193 G CA 0.259 45.346 45.100 -0.021 0.000 0.741 193 G HN 0.265 nan 8.290 nan 0.000 0.508 194 S N 0.823 116.492 115.700 -0.052 0.000 2.537 194 S HA 0.397 4.868 4.470 0.000 0.000 0.286 194 S C 0.872 175.468 174.600 -0.006 0.000 1.299 194 S CA 0.323 58.446 58.200 -0.129 0.000 1.067 194 S CB 0.729 63.709 63.200 -0.367 0.000 0.864 194 S HN 0.922 nan 8.310 nan 0.000 0.494 195 N N 2.182 120.923 118.700 0.067 0.000 2.538 195 N HA 0.336 5.076 4.740 0.000 0.000 0.292 195 N C 0.623 176.265 175.510 0.220 0.000 1.262 195 N CA -0.831 52.307 53.050 0.147 0.000 0.976 195 N CB 0.002 38.576 38.487 0.145 0.000 1.161 195 N HN 0.254 nan 8.380 nan 0.000 0.598 196 M N -0.539 119.168 119.600 0.178 0.000 2.419 196 M HA 0.124 4.605 4.480 0.000 0.000 0.264 196 M C 1.427 177.850 176.300 0.204 0.000 1.082 196 M CA 0.877 56.198 55.300 0.035 0.000 1.119 196 M CB -1.026 31.507 32.600 -0.111 0.000 1.398 196 M HN 0.511 nan 8.290 nan 0.000 0.453 197 M N -0.956 118.887 119.600 0.405 0.000 2.149 197 M HA -0.192 4.288 4.480 0.000 0.000 0.261 197 M C 2.254 179.015 176.300 0.769 0.000 1.064 197 M CA 1.557 57.203 55.300 0.577 0.000 1.102 197 M CB -1.425 31.429 32.600 0.422 0.000 1.369 197 M HN 0.233 nan 8.290 nan 0.000 0.408 198 F N 0.981 121.237 119.950 0.511 0.000 2.113 198 F HA -0.074 4.453 4.527 0.001 0.000 0.297 198 F C 2.321 178.319 175.800 0.330 0.000 1.103 198 F CA 1.655 59.874 58.000 0.366 0.000 1.248 198 F CB -0.360 38.741 39.000 0.168 0.000 0.999 198 F HN 0.106 nan 8.300 nan 0.000 0.475 199 A N 0.180 123.167 122.820 0.277 0.000 1.883 199 A HA -0.181 4.139 4.320 0.000 0.000 0.217 199 A C 2.005 179.569 177.584 -0.034 0.000 1.186 199 A CA 1.873 53.941 52.037 0.051 0.000 0.624 199 A CB -1.497 17.437 19.000 -0.111 0.000 0.822 199 A HN 0.444 nan 8.150 nan 0.000 0.444 200 F N -1.832 118.237 119.950 0.198 0.000 2.325 200 F HA 0.050 4.578 4.527 0.001 0.000 0.299 200 F C 1.888 177.770 175.800 0.137 0.000 1.090 200 F CA 0.393 58.508 58.000 0.192 0.000 1.392 200 F CB -0.754 38.395 39.000 0.248 0.000 1.053 200 F HN 0.340 nan 8.300 nan 0.000 0.521 201 F N 0.683 120.702 119.950 0.115 0.000 2.113 201 F HA -0.104 4.423 4.527 0.000 0.000 0.297 201 F C 2.384 178.019 175.800 -0.275 0.000 1.103 201 F CA 1.339 59.110 58.000 -0.381 0.000 1.248 201 F CB -0.515 38.340 39.000 -0.242 0.000 0.999 201 F HN -0.081 nan 8.300 nan 0.000 0.475 202 A N -0.125 122.695 122.820 0.000 0.000 1.883 202 A HA -0.295 4.025 4.320 0.000 0.000 0.217 202 A C 2.232 179.721 177.584 -0.160 0.000 1.186 202 A CA 1.996 54.021 52.037 -0.019 0.000 0.624 202 A CB -1.128 17.978 19.000 0.177 0.000 0.822 202 A HN 0.596 nan 8.150 nan 0.000 0.444 203 Q N -1.458 118.273 119.800 -0.114 0.000 2.050 203 Q HA -0.245 4.096 4.340 0.000 0.000 0.202 203 Q C 2.187 177.990 176.000 -0.329 0.000 0.980 203 Q CA 1.677 57.338 55.803 -0.236 0.000 0.840 203 Q CB -0.342 28.306 28.738 -0.150 0.000 0.898 203 Q HN 0.887 nan 8.270 nan 0.000 0.424 204 H N -0.490 118.362 119.070 -0.363 0.000 2.293 204 H HA -0.177 4.379 4.556 0.000 0.000 0.300 204 H C 1.991 177.136 175.328 -0.304 0.000 1.082 204 H CA 1.863 57.675 56.048 -0.394 0.000 1.308 204 H CB -0.356 29.129 29.762 -0.461 0.000 1.375 204 H HN 0.337 nan 8.280 nan 0.000 0.495 205 F N 2.003 121.569 119.950 -0.639 0.000 2.102 205 F HA -0.206 4.322 4.527 0.000 0.000 0.298 205 F C 2.767 177.983 175.800 -0.974 0.000 1.105 205 F CA 2.452 59.970 58.000 -0.803 0.000 1.239 205 F CB -0.836 37.625 39.000 -0.899 0.000 0.991 205 F HN 0.251 nan 8.300 nan 0.000 0.474 206 T N -3.021 110.849 114.554 -1.140 0.000 2.951 206 T HA -0.166 4.185 4.350 0.000 0.000 0.268 206 T C 1.392 175.172 174.700 -1.533 0.000 1.073 206 T CA 1.478 62.499 62.100 -1.798 0.000 1.134 206 T CB -0.888 67.239 68.868 -1.235 0.000 0.884 206 T HN 0.371 nan 8.240 nan 0.000 0.479 207 H N 1.733 120.237 119.070 -0.944 0.000 2.556 207 H HA 0.171 4.728 4.556 0.000 0.000 0.273 207 H C 2.294 177.190 175.328 -0.720 0.000 1.030 207 H CA 0.642 56.331 56.048 -0.597 0.000 1.156 207 H CB -0.229 29.440 29.762 -0.156 0.000 1.326 207 H HN 0.763 nan 8.280 nan 0.000 0.609 208 Q N -0.323 118.876 119.800 -1.002 0.000 2.339 208 Q HA -0.034 4.306 4.340 0.000 0.000 0.205 208 Q C 0.878 176.499 176.000 -0.632 0.000 0.925 208 Q CA 0.815 56.109 55.803 -0.849 0.000 0.898 208 Q CB -0.081 27.991 28.738 -1.109 0.000 1.013 208 Q HN 0.559 nan 8.270 nan 0.000 0.504 209 F N -2.496 117.027 119.950 -0.711 0.000 2.724 209 F HA 0.474 5.001 4.527 0.000 0.000 0.306 209 F C -0.118 175.394 175.800 -0.480 0.000 1.100 209 F CA -1.069 56.561 58.000 -0.617 0.000 1.255 209 F CB 0.432 39.050 39.000 -0.636 0.000 1.072 209 F HN -0.221 nan 8.300 nan 0.000 0.589 210 F N 3.661 123.337 119.950 -0.458 0.000 2.309 210 F HA 0.467 4.994 4.527 0.001 0.000 0.366 210 F C -0.119 175.445 175.800 -0.392 0.000 1.104 210 F CA -1.541 56.251 58.000 -0.346 0.000 1.179 210 F CB 0.521 39.171 39.000 -0.584 0.000 1.437 210 F HN -0.044 nan 8.300 nan 0.000 0.528 211 K N 1.805 122.180 120.400 -0.042 0.000 2.827 211 K HA 0.226 4.546 4.320 0.000 0.000 0.186 211 K C -0.378 176.150 176.600 -0.119 0.000 1.093 211 K CA -0.334 55.868 56.287 -0.143 0.000 0.993 211 K CB 1.139 33.516 32.500 -0.206 0.000 1.199 211 K HN 0.276 nan 8.250 nan 0.000 0.598 212 T N 1.395 115.884 114.554 -0.109 0.000 2.867 212 T HA -0.040 4.310 4.350 0.000 0.000 0.297 212 T C 0.130 174.572 174.700 -0.431 0.000 0.989 212 T CA 0.229 62.204 62.100 -0.208 0.000 1.159 212 T CB 0.328 69.018 68.868 -0.295 0.000 0.928 212 T HN 0.261 nan 8.240 nan 0.000 0.538 213 D N 1.886 122.137 120.400 -0.249 0.000 2.470 213 D HA 0.028 4.669 4.640 0.000 0.000 0.226 213 D C 1.283 177.486 176.300 -0.162 0.000 1.196 213 D CA -0.248 53.640 54.000 -0.187 0.000 0.979 213 D CB 0.063 40.787 40.800 -0.127 0.000 1.059 213 D HN 0.541 nan 8.370 nan 0.000 0.515 214 H N 2.064 121.134 119.070 0.001 0.000 2.518 214 H HA -0.063 4.493 4.556 0.000 0.000 0.289 214 H C 1.357 176.672 175.328 -0.022 0.000 1.051 214 H CA 0.816 56.868 56.048 0.005 0.000 1.280 214 H CB 0.498 30.261 29.762 0.001 0.000 1.380 214 H HN 0.420 nan 8.280 nan 0.000 0.566 215 K N 0.494 120.915 120.400 0.035 0.000 2.155 215 K HA -0.024 4.296 4.320 0.000 0.000 0.203 215 K C 2.287 178.828 176.600 -0.098 0.000 1.052 215 K CA 0.672 56.943 56.287 -0.028 0.000 0.948 215 K CB 0.273 32.741 32.500 -0.053 0.000 0.728 215 K HN 0.202 nan 8.250 nan 0.000 0.448 216 R N -0.328 120.064 120.500 -0.180 0.000 2.087 216 R HA 0.127 4.468 4.340 0.000 0.000 0.216 216 R C 0.680 176.862 176.300 -0.197 0.000 1.114 216 R CA 0.757 56.617 56.100 -0.401 0.000 1.002 216 R CB 0.602 30.367 30.300 -0.892 0.000 0.903 216 R HN 0.236 nan 8.270 nan 0.000 0.445 217 G N -0.737 108.096 108.800 0.054 0.000 2.350 217 G HA2 -0.031 3.929 3.960 0.000 0.000 0.304 217 G HA3 -0.031 3.929 3.960 0.000 0.000 0.304 217 G C -2.595 172.470 174.900 0.274 0.000 1.421 217 G CA -0.932 44.312 45.100 0.240 0.000 0.934 217 G HN -0.220 nan 8.290 nan 0.000 0.632 218 P HA 0.011 nan 4.420 nan 0.000 0.220 218 P C 1.603 178.999 177.300 0.160 0.000 1.148 218 P CA 1.695 64.871 63.100 0.127 0.000 0.803 218 P CB 0.067 31.805 31.700 0.063 0.000 0.782 219 G N -1.815 107.057 108.800 0.119 0.000 3.262 219 G HA2 0.161 4.121 3.960 0.000 0.000 0.228 219 G HA3 0.161 4.121 3.960 0.000 0.000 0.228 219 G C -0.160 174.611 174.900 -0.215 0.000 1.197 219 G CA -0.122 44.980 45.100 0.003 0.000 0.819 219 G HN 0.150 nan 8.290 nan 0.000 0.531 220 F N -0.774 119.207 119.950 0.050 0.000 2.546 220 F HA 0.620 5.147 4.527 0.000 0.000 0.320 220 F C 0.281 175.855 175.800 -0.377 0.000 1.076 220 F CA -0.810 57.065 58.000 -0.209 0.000 0.928 220 F CB 2.656 41.513 39.000 -0.239 0.000 1.189 220 F HN -0.148 nan 8.300 nan 0.000 0.465 221 T N 1.058 115.367 114.554 -0.409 0.000 2.907 221 T HA 0.442 4.792 4.350 0.000 0.000 0.292 221 T C 0.556 175.062 174.700 -0.323 0.000 1.043 221 T CA -0.554 61.201 62.100 -0.576 0.000 1.003 221 T CB 1.355 69.550 68.868 -1.122 0.000 1.084 221 T HN 0.729 nan 8.240 nan 0.000 0.483 222 R N 1.750 122.085 120.500 -0.275 0.000 2.290 222 R HA 0.247 4.587 4.340 0.000 0.000 0.197 222 R C 1.415 177.577 176.300 -0.231 0.000 0.913 222 R CA 0.081 56.056 56.100 -0.210 0.000 1.040 222 R CB 0.359 30.558 30.300 -0.168 0.000 0.992 222 R HN 0.618 nan 8.270 nan 0.000 0.500 223 G N 1.201 109.819 108.800 -0.304 0.000 2.985 223 G HA2 0.124 4.084 3.960 0.000 0.000 0.282 223 G HA3 0.124 4.084 3.960 0.000 0.000 0.282 223 G C 0.683 175.342 174.900 -0.402 0.000 0.791 223 G CA -0.310 44.604 45.100 -0.311 0.000 1.934 223 G HN 0.153 nan 8.290 nan 0.000 0.563 224 L N 1.491 122.567 121.223 -0.245 0.000 2.362 224 L HA 0.008 4.349 4.340 0.000 0.000 0.219 224 L C 2.749 179.606 176.870 -0.022 0.000 1.134 224 L CA 0.851 55.608 54.840 -0.138 0.000 0.807 224 L CB 0.073 42.094 42.059 -0.063 0.000 0.927 224 L HN 0.521 nan 8.230 nan 0.000 0.447 225 G N -2.316 106.443 108.800 -0.069 0.000 2.484 225 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 225 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 225 G C 0.603 175.536 174.900 0.056 0.000 1.130 225 G CA -0.052 45.047 45.100 -0.002 0.000 0.784 225 G HN 0.570 nan 8.290 nan 0.000 0.543 226 H N -0.432 118.597 119.070 -0.068 0.000 2.713 226 H HA -0.161 4.395 4.556 0.000 0.000 0.311 226 H C 1.118 176.382 175.328 -0.106 0.000 1.175 226 H CA 1.078 57.083 56.048 -0.071 0.000 1.143 226 H CB -1.386 28.331 29.762 -0.075 0.000 1.434 226 H HN 0.788 nan 8.280 nan 0.000 0.418 227 G N -1.662 107.111 108.800 -0.045 0.000 2.356 227 G HA2 0.256 4.216 3.960 0.000 0.000 0.281 227 G HA3 0.256 4.216 3.960 0.000 0.000 0.281 227 G C -0.782 174.097 174.900 -0.035 0.000 1.246 227 G CA -0.248 44.780 45.100 -0.120 0.000 0.889 227 G HN 0.144 nan 8.290 nan 0.000 0.486 228 V N 2.452 122.361 119.914 -0.009 0.000 2.153 228 V HA 0.252 4.372 4.120 0.000 0.000 0.250 228 V C 0.484 176.611 176.094 0.056 0.000 1.334 228 V CA 0.856 63.183 62.300 0.045 0.000 1.249 228 V CB 0.110 32.018 31.823 0.142 0.000 1.371 228 V HN 0.757 nan 8.190 nan 0.000 0.498 229 D N 2.804 123.222 120.400 0.030 0.000 2.407 229 D HA 0.043 4.684 4.640 0.000 0.000 0.208 229 D C 0.917 177.292 176.300 0.125 0.000 1.083 229 D CA -0.313 53.726 54.000 0.065 0.000 0.844 229 D CB 0.025 40.848 40.800 0.039 0.000 0.967 229 D HN 0.363 nan 8.370 nan 0.000 0.506 230 L N 0.764 122.058 121.223 0.119 0.000 3.717 230 L HA -0.325 4.015 4.340 0.000 0.000 0.411 230 L C 0.723 177.751 176.870 0.264 0.000 1.233 230 L CA 0.556 55.545 54.840 0.248 0.000 0.917 230 L CB -2.550 39.646 42.059 0.228 0.000 1.902 230 L HN 0.265 nan 8.230 nan 0.000 0.894 231 N N -0.176 118.617 118.700 0.154 0.000 2.453 231 N HA -0.189 4.552 4.740 0.000 0.000 0.183 231 N C 1.759 177.277 175.510 0.012 0.000 1.041 231 N CA 1.488 54.584 53.050 0.077 0.000 0.900 231 N CB -0.180 38.296 38.487 -0.019 0.000 0.961 231 N HN 0.734 nan 8.380 nan 0.000 0.443 232 H N -0.498 118.417 119.070 -0.258 0.000 2.524 232 H HA 0.123 4.679 4.556 0.001 0.000 0.282 232 H C 1.423 176.615 175.328 -0.227 0.000 1.016 232 H CA 0.692 56.522 56.048 -0.363 0.000 1.270 232 H CB -0.310 29.169 29.762 -0.471 0.000 1.394 232 H HN 0.412 nan 8.280 nan 0.000 0.568 233 I N -0.815 119.472 120.570 -0.472 0.000 2.947 233 I HA -0.061 4.110 4.170 0.000 0.000 0.263 233 I C 1.296 177.143 176.117 -0.450 0.000 1.130 233 I CA 0.306 61.263 61.300 -0.571 0.000 1.448 233 I CB 0.016 37.451 38.000 -0.942 0.000 1.222 233 I HN -0.018 nan 8.210 nan 0.000 0.453 234 Y N 1.168 121.448 120.300 -0.033 0.000 2.458 234 Y HA 0.483 5.033 4.550 0.000 0.000 0.254 234 Y C 1.137 177.058 175.900 0.035 0.000 1.120 234 Y CA 0.002 58.128 58.100 0.044 0.000 1.282 234 Y CB 0.060 38.593 38.460 0.121 0.000 1.109 234 Y HN 0.130 nan 8.280 nan 0.000 0.526 235 G N 0.804 109.663 108.800 0.098 0.000 2.712 235 G HA2 -0.221 3.740 3.960 0.000 0.000 0.686 235 G HA3 -0.221 3.740 3.960 0.000 0.000 0.686 235 G C 0.106 175.027 174.900 0.035 0.000 1.181 235 G CA -0.120 45.002 45.100 0.038 0.000 0.762 235 G HN 0.158 nan 8.290 nan 0.000 0.641 236 E N -0.317 119.871 120.200 -0.021 0.000 2.072 236 E HA 0.083 4.434 4.350 0.000 0.000 0.190 236 E C 1.912 178.500 176.600 -0.019 0.000 0.982 236 E CA 2.281 58.660 56.400 -0.034 0.000 0.803 236 E CB -0.007 29.648 29.700 -0.075 0.000 0.755 236 E HN 1.154 nan 8.360 nan 0.000 0.453 237 T N -2.075 112.466 114.554 -0.022 0.000 2.952 237 T HA 0.280 4.630 4.350 0.000 0.000 0.286 237 T C 0.973 175.652 174.700 -0.035 0.000 1.024 237 T CA -0.563 61.518 62.100 -0.031 0.000 1.029 237 T CB 1.235 70.077 68.868 -0.043 0.000 1.094 237 T HN 0.069 nan 8.240 nan 0.000 0.515 238 L N 0.486 121.663 121.223 -0.077 0.000 2.109 238 L HA 0.064 4.404 4.340 0.000 0.000 0.207 238 L C 2.181 178.895 176.870 -0.260 0.000 1.086 238 L CA 1.796 56.535 54.840 -0.169 0.000 0.760 238 L CB -0.833 41.095 42.059 -0.218 0.000 0.910 238 L HN 0.867 nan 8.230 nan 0.000 0.437 239 D N -0.467 119.833 120.400 -0.166 0.000 2.117 239 D HA -0.237 4.403 4.640 0.000 0.000 0.197 239 D C 2.339 178.631 176.300 -0.013 0.000 0.987 239 D CA 1.015 54.956 54.000 -0.098 0.000 0.829 239 D CB 0.064 40.830 40.800 -0.057 0.000 0.961 239 D HN 0.296 nan 8.370 nan 0.000 0.460 240 R N 0.281 120.773 120.500 -0.013 0.000 2.075 240 R HA -0.113 4.227 4.340 0.000 0.000 0.232 240 R C 2.380 178.706 176.300 0.044 0.000 1.126 240 R CA 1.280 57.389 56.100 0.015 0.000 0.963 240 R CB -0.148 30.151 30.300 -0.001 0.000 0.858 240 R HN 0.224 nan 8.270 nan 0.000 0.435 241 Q N -0.284 119.547 119.800 0.051 0.000 2.061 241 Q HA -0.222 4.119 4.340 0.000 0.000 0.204 241 Q C 1.683 177.729 176.000 0.077 0.000 0.984 241 Q CA 1.788 57.643 55.803 0.088 0.000 0.846 241 Q CB -0.136 28.670 28.738 0.114 0.000 0.902 241 Q HN 0.658 nan 8.270 nan 0.000 0.421 242 H N -0.456 118.593 119.070 -0.036 0.000 2.421 242 H HA -0.056 4.501 4.556 0.001 0.000 0.298 242 H C 1.955 177.325 175.328 0.071 0.000 1.087 242 H CA 0.897 56.976 56.048 0.052 0.000 1.330 242 H CB 0.325 30.231 29.762 0.240 0.000 1.388 242 H HN 0.208 nan 8.280 nan 0.000 0.526 243 K N 0.537 121.037 120.400 0.165 0.000 2.217 243 K HA -0.048 4.272 4.320 0.000 0.000 0.202 243 K C 1.849 178.478 176.600 0.047 0.000 1.051 243 K CA 0.590 56.939 56.287 0.103 0.000 0.952 243 K CB 0.221 32.766 32.500 0.074 0.000 0.736 243 K HN 0.242 nan 8.250 nan 0.000 0.453 244 L N 0.213 121.446 121.223 0.017 0.000 2.446 244 L HA 0.030 4.370 4.340 0.000 0.000 0.219 244 L C 0.710 177.548 176.870 -0.053 0.000 1.116 244 L CA 0.166 55.011 54.840 0.008 0.000 0.844 244 L CB 0.069 42.150 42.059 0.037 0.000 0.970 244 L HN 0.005 nan 8.230 nan 0.000 0.457 245 R N -0.012 120.355 120.500 -0.221 0.000 2.410 245 R HA 0.127 4.467 4.340 0.000 0.000 0.288 245 R C 0.757 176.844 176.300 -0.355 0.000 1.051 245 R CA -0.419 55.416 56.100 -0.442 0.000 1.021 245 R CB 1.370 31.016 30.300 -1.090 0.000 1.032 245 R HN -0.074 nan 8.270 nan 0.000 0.481 246 L N 2.776 123.887 121.223 -0.187 0.000 2.341 246 L HA 0.127 4.467 4.340 0.000 0.000 0.214 246 L C 0.136 177.046 176.870 0.066 0.000 1.115 246 L CA 1.155 55.984 54.840 -0.019 0.000 0.820 246 L CB -0.143 41.958 42.059 0.069 0.000 0.944 246 L HN 0.824 nan 8.230 nan 0.000 0.452 247 F N -0.646 119.301 119.950 -0.005 0.000 3.057 247 F HA -0.319 4.208 4.527 0.001 0.000 0.287 247 F C 0.389 176.200 175.800 0.018 0.000 0.834 247 F CA 0.787 58.767 58.000 -0.033 0.000 1.147 247 F CB -1.651 37.299 39.000 -0.084 0.000 1.245 247 F HN 0.130 nan 8.300 nan 0.000 0.509 248 K N 0.244 120.745 120.400 0.168 0.000 2.507 248 K HA 0.319 4.640 4.320 0.000 0.000 0.251 248 K C -0.093 176.602 176.600 0.157 0.000 0.943 248 K CA -0.872 55.506 56.287 0.151 0.000 0.794 248 K CB 1.642 34.218 32.500 0.128 0.000 1.188 248 K HN -0.001 nan 8.250 nan 0.000 0.428 249 D N 1.531 122.026 120.400 0.158 0.000 2.983 249 D HA -0.193 4.447 4.640 0.000 0.000 0.225 249 D C 0.776 177.193 176.300 0.194 0.000 1.174 249 D CA 1.857 55.955 54.000 0.165 0.000 0.831 249 D CB -1.161 39.725 40.800 0.143 0.000 1.104 249 D HN 1.105 nan 8.370 nan 0.000 0.421 250 G N -0.570 108.363 108.800 0.222 0.000 2.168 250 G HA2 -0.400 3.560 3.960 0.000 0.000 0.263 250 G HA3 -0.400 3.560 3.960 0.000 0.000 0.263 250 G C 0.386 175.551 174.900 0.442 0.000 0.977 250 G CA 0.984 46.274 45.100 0.316 0.000 0.659 250 G HN 0.508 nan 8.290 nan 0.000 0.533 251 K N -0.461 120.133 120.400 0.323 0.000 2.126 251 K HA 0.640 4.960 4.320 0.000 0.000 0.257 251 K C 0.754 177.562 176.600 0.347 0.000 1.007 251 K CA -0.608 55.913 56.287 0.390 0.000 0.928 251 K CB 0.852 33.529 32.500 0.296 0.000 1.013 251 K HN 0.182 nan 8.250 nan 0.000 0.473 252 L N 2.046 123.501 121.223 0.386 0.000 2.357 252 L HA 0.258 4.598 4.340 0.000 0.000 0.273 252 L C 0.360 177.384 176.870 0.256 0.000 1.080 252 L CA -0.563 54.412 54.840 0.224 0.000 0.803 252 L CB 0.801 42.961 42.059 0.168 0.000 1.174 252 L HN 0.427 nan 8.230 nan 0.000 0.443 253 K N 1.788 122.277 120.400 0.149 0.000 2.469 253 K HA 0.190 4.510 4.320 0.000 0.000 0.274 253 K C -1.131 175.612 176.600 0.238 0.000 0.983 253 K CA 0.464 56.824 56.287 0.122 0.000 0.974 253 K CB 0.419 32.945 32.500 0.043 0.000 0.913 253 K HN 0.455 nan 8.250 nan 0.000 0.493 254 Y N -1.833 118.515 120.300 0.081 0.000 2.638 254 Y HA 0.281 4.831 4.550 0.000 0.000 0.335 254 Y C -1.337 174.620 175.900 0.095 0.000 1.155 254 Y CA -1.390 56.768 58.100 0.097 0.000 1.046 254 Y CB 1.055 39.567 38.460 0.085 0.000 1.303 254 Y HN 0.582 nan 8.280 nan 0.000 0.460 255 Q N 1.000 120.946 119.800 0.243 0.000 2.387 255 Q HA 0.831 5.172 4.340 0.000 0.000 0.273 255 Q C -1.937 174.251 176.000 0.313 0.000 1.089 255 Q CA -1.314 54.587 55.803 0.163 0.000 0.824 255 Q CB 2.957 31.765 28.738 0.116 0.000 1.367 255 Q HN 0.609 nan 8.270 nan 0.000 0.443 256 V N 3.028 123.080 119.914 0.230 0.000 2.370 256 V HA 0.456 4.577 4.120 0.000 0.000 0.283 256 V C -0.519 175.699 176.094 0.205 0.000 1.023 256 V CA -0.516 61.928 62.300 0.239 0.000 0.857 256 V CB 1.008 32.945 31.823 0.191 0.000 0.985 256 V HN 0.667 nan 8.190 nan 0.000 0.443 257 I N 3.651 124.397 120.570 0.293 0.000 2.410 257 I HA 0.592 4.763 4.170 0.000 0.000 0.286 257 I C 1.005 177.247 176.117 0.208 0.000 1.009 257 I CA -0.551 60.873 61.300 0.206 0.000 1.111 257 I CB 1.724 39.797 38.000 0.123 0.000 1.262 257 I HN 0.795 nan 8.210 nan 0.000 0.443 258 G N 4.260 113.129 108.800 0.115 0.000 2.323 258 G HA2 -0.093 3.868 3.960 0.000 0.000 0.292 258 G HA3 -0.093 3.868 3.960 0.000 0.000 0.292 258 G C 0.988 175.939 174.900 0.086 0.000 1.040 258 G CA 0.589 45.742 45.100 0.089 0.000 0.942 258 G HN 1.595 nan 8.290 nan 0.000 0.506 259 G N -1.783 107.065 108.800 0.080 0.000 2.168 259 G HA2 -0.231 3.729 3.960 0.000 0.000 0.263 259 G HA3 -0.231 3.729 3.960 0.000 0.000 0.263 259 G C 0.063 174.984 174.900 0.035 0.000 0.977 259 G CA 0.985 46.117 45.100 0.054 0.000 0.659 259 G HN 0.999 nan 8.290 nan 0.000 0.533 260 E N -0.326 119.910 120.200 0.059 0.000 2.212 260 E HA 0.535 4.885 4.350 0.000 0.000 0.268 260 E C -0.035 176.493 176.600 -0.121 0.000 0.902 260 E CA -0.793 55.565 56.400 -0.071 0.000 0.779 260 E CB 2.401 32.035 29.700 -0.110 0.000 1.172 260 E HN 0.097 nan 8.360 nan 0.000 0.409 261 V N 3.714 123.471 119.914 -0.263 0.000 2.488 261 V HA 0.199 4.320 4.120 0.000 0.000 0.277 261 V C -0.654 175.210 176.094 -0.383 0.000 1.046 261 V CA 0.069 62.265 62.300 -0.173 0.000 0.986 261 V CB -0.356 31.334 31.823 -0.222 0.000 0.989 261 V HN 0.516 nan 8.190 nan 0.000 0.475 262 Y N 4.586 124.955 120.300 0.115 0.000 2.605 262 Y HA 0.499 5.050 4.550 0.000 0.000 0.343 262 Y C -2.263 173.756 175.900 0.198 0.000 1.036 262 Y CA -2.745 55.415 58.100 0.100 0.000 1.065 262 Y CB 2.060 40.618 38.460 0.164 0.000 1.288 262 Y HN 0.429 nan 8.280 nan 0.000 0.481 263 P HA 0.014 nan 4.420 nan 0.000 0.269 263 P C -2.524 175.017 177.300 0.401 0.000 1.217 263 P CA -0.723 62.580 63.100 0.338 0.000 0.783 263 P CB -0.021 31.853 31.700 0.290 0.000 0.898 264 P HA 0.067 nan 4.420 nan 0.000 0.274 264 P C -0.346 177.008 177.300 0.091 0.000 1.256 264 P CA -0.035 63.152 63.100 0.145 0.000 0.795 264 P CB 0.164 31.919 31.700 0.092 0.000 1.038 265 T N -2.998 111.541 114.554 -0.024 0.000 2.847 265 T HA 0.195 4.545 4.350 0.000 0.000 0.279 265 T C 1.475 176.149 174.700 -0.043 0.000 0.984 265 T CA -0.667 61.367 62.100 -0.110 0.000 0.988 265 T CB -0.014 68.741 68.868 -0.187 0.000 1.040 265 T HN 0.077 nan 8.240 nan 0.000 0.528 266 V N 1.059 120.938 119.914 -0.058 0.000 2.427 266 V HA -0.098 4.022 4.120 0.000 0.000 0.248 266 V C 2.839 178.913 176.094 -0.032 0.000 1.051 266 V CA 1.963 64.253 62.300 -0.017 0.000 1.048 266 V CB -0.875 30.943 31.823 -0.010 0.000 0.666 266 V HN 0.987 nan 8.190 nan 0.000 0.456 267 K N -0.018 120.343 120.400 -0.065 0.000 2.097 267 K HA -0.260 4.060 4.320 0.000 0.000 0.206 267 K C 1.897 178.474 176.600 -0.039 0.000 1.049 267 K CA 1.976 58.229 56.287 -0.057 0.000 0.933 267 K CB -0.170 32.284 32.500 -0.078 0.000 0.717 267 K HN 0.520 nan 8.250 nan 0.000 0.442 268 D N -0.667 119.710 120.400 -0.038 0.000 2.137 268 D HA -0.097 4.543 4.640 0.000 0.000 0.202 268 D C 1.734 178.032 176.300 -0.003 0.000 0.970 268 D CA 1.809 55.795 54.000 -0.024 0.000 0.837 268 D CB 0.089 40.871 40.800 -0.029 0.000 0.981 268 D HN 0.349 nan 8.370 nan 0.000 0.475 269 T N -4.098 110.460 114.554 0.006 0.000 3.040 269 T HA 0.042 4.392 4.350 0.000 0.000 0.252 269 T C 0.818 175.534 174.700 0.025 0.000 1.064 269 T CA 0.138 62.252 62.100 0.024 0.000 1.110 269 T CB 0.187 69.077 68.868 0.036 0.000 0.921 269 T HN 0.032 nan 8.240 nan 0.000 0.480 270 Q N -0.095 119.713 119.800 0.014 0.000 2.460 270 Q HA -0.120 4.221 4.340 0.000 0.000 0.248 270 Q C -0.262 175.750 176.000 0.020 0.000 0.847 270 Q CA 0.332 56.142 55.803 0.013 0.000 1.214 270 Q CB -2.688 26.058 28.738 0.013 0.000 1.523 270 Q HN 0.566 nan 8.270 nan 0.000 0.602 271 V N 1.719 121.649 119.914 0.028 0.000 2.555 271 V HA 0.017 4.137 4.120 0.000 0.000 0.286 271 V C 1.093 177.207 176.094 0.033 0.000 1.044 271 V CA 0.275 62.593 62.300 0.031 0.000 1.026 271 V CB 1.043 32.891 31.823 0.042 0.000 0.981 271 V HN 0.122 nan 8.190 nan 0.000 0.480 272 E N 5.610 125.821 120.200 0.018 0.000 2.299 272 E HA 0.240 4.591 4.350 0.000 0.000 0.272 272 E C -0.408 176.203 176.600 0.018 0.000 1.043 272 E CA -0.021 56.388 56.400 0.015 0.000 0.895 272 E CB 0.536 30.234 29.700 -0.004 0.000 1.011 272 E HN 0.409 nan 8.360 nan 0.000 0.432 273 M N 2.364 121.992 119.600 0.046 0.000 2.619 273 M HA 0.445 4.925 4.480 0.000 0.000 0.297 273 M C -0.430 175.855 176.300 -0.026 0.000 1.229 273 M CA -0.844 54.470 55.300 0.023 0.000 0.860 273 M CB 1.705 34.403 32.600 0.163 0.000 1.741 273 M HN 0.393 nan 8.290 nan 0.000 0.462 274 I N 1.779 122.241 120.570 -0.180 0.000 2.304 274 I HA 0.319 4.490 4.170 0.000 0.000 0.291 274 I C -1.409 174.468 176.117 -0.400 0.000 1.018 274 I CA -0.205 60.981 61.300 -0.189 0.000 1.260 274 I CB 0.377 38.292 38.000 -0.141 0.000 1.390 274 I HN 0.489 nan 8.210 nan 0.000 0.475 275 Y N 6.381 126.643 120.300 -0.064 0.000 2.504 275 Y HA 0.402 4.953 4.550 0.000 0.000 0.344 275 Y C -2.084 173.695 175.900 -0.201 0.000 1.023 275 Y CA -2.068 55.960 58.100 -0.120 0.000 1.020 275 Y CB 1.884 40.280 38.460 -0.107 0.000 1.282 275 Y HN 0.425 nan 8.280 nan 0.000 0.454 276 P HA 0.126 nan 4.420 nan 0.000 0.269 276 P C -2.391 174.775 177.300 -0.223 0.000 1.209 276 P CA -1.298 61.645 63.100 -0.262 0.000 0.776 276 P CB 0.823 32.241 31.700 -0.469 0.000 0.876 277 P HA -0.170 nan 4.420 nan 0.000 0.221 277 P C 1.342 178.613 177.300 -0.049 0.000 1.145 277 P CA 1.392 64.460 63.100 -0.052 0.000 0.795 277 P CB -0.446 31.255 31.700 0.001 0.000 0.775 278 H N -1.896 117.156 119.070 -0.030 0.000 2.535 278 H HA 0.049 4.605 4.556 0.001 0.000 0.273 278 H C 0.587 175.897 175.328 -0.029 0.000 0.983 278 H CA 0.048 56.083 56.048 -0.021 0.000 1.238 278 H CB -0.428 29.332 29.762 -0.003 0.000 1.412 278 H HN 0.030 nan 8.280 nan 0.000 0.562 279 I N 5.443 125.767 120.570 -0.411 0.000 2.587 279 I HA 0.064 4.234 4.170 0.000 0.000 0.284 279 I C -1.902 174.086 176.117 -0.214 0.000 1.134 279 I CA -2.247 58.876 61.300 -0.295 0.000 1.410 279 I CB 0.423 38.218 38.000 -0.343 0.000 1.392 279 I HN 0.130 nan 8.210 nan 0.000 0.545 280 P HA 0.138 nan 4.420 nan 0.000 0.272 280 P C 0.551 177.714 177.300 -0.228 0.000 1.223 280 P CA -0.284 62.724 63.100 -0.153 0.000 0.784 280 P CB 1.015 32.648 31.700 -0.112 0.000 0.923 281 E N 1.256 121.339 120.200 -0.196 0.000 2.130 281 E HA -0.229 4.121 4.350 0.000 0.000 0.196 281 E C 1.599 178.029 176.600 -0.284 0.000 0.998 281 E CA 1.450 57.718 56.400 -0.220 0.000 0.806 281 E CB -0.256 29.352 29.700 -0.153 0.000 0.738 281 E HN 0.569 nan 8.360 nan 0.000 0.459 282 N N 0.940 119.481 118.700 -0.264 0.000 2.453 282 N HA -0.153 4.588 4.740 0.000 0.000 0.183 282 N C 1.415 176.620 175.510 -0.507 0.000 1.041 282 N CA 0.858 53.718 53.050 -0.317 0.000 0.900 282 N CB -0.113 38.242 38.487 -0.221 0.000 0.961 282 N HN 0.248 nan 8.380 nan 0.000 0.443 283 L N -0.337 120.594 121.223 -0.488 0.000 2.693 283 L HA 0.205 4.545 4.340 0.000 0.000 0.235 283 L C 0.298 176.755 176.870 -0.689 0.000 1.127 283 L CA -0.040 54.464 54.840 -0.561 0.000 0.914 283 L CB 0.100 42.006 42.059 -0.254 0.000 1.193 283 L HN -0.036 nan 8.230 nan 0.000 0.502 284 Q N 0.858 120.212 119.800 -0.744 0.000 2.844 284 Q HA 0.202 4.542 4.340 0.000 0.000 0.235 284 Q C -0.783 174.972 176.000 -0.409 0.000 1.336 284 Q CA -0.301 54.975 55.803 -0.877 0.000 1.026 284 Q CB 0.056 28.398 28.738 -0.661 0.000 1.513 284 Q HN 0.131 nan 8.270 nan 0.000 0.577 285 F N 1.044 120.957 119.950 -0.061 0.000 2.518 285 F HA 0.212 4.739 4.527 0.000 0.000 0.359 285 F C 0.797 176.712 175.800 0.192 0.000 1.118 285 F CA -0.447 57.607 58.000 0.090 0.000 1.287 285 F CB 0.673 39.739 39.000 0.110 0.000 1.132 285 F HN 0.301 nan 8.300 nan 0.000 0.587 286 A N 3.565 126.564 122.820 0.299 0.000 2.287 286 A HA 0.753 5.074 4.320 0.000 0.000 0.317 286 A C -0.701 176.991 177.584 0.179 0.000 1.220 286 A CA -0.536 51.625 52.037 0.207 0.000 0.835 286 A CB 0.540 19.615 19.000 0.125 0.000 1.180 286 A HN 0.715 nan 8.150 nan 0.000 0.500 287 V N 0.049 120.049 119.914 0.142 0.000 3.158 287 V HA 0.872 4.993 4.120 0.000 0.000 0.311 287 V C 1.197 177.297 176.094 0.010 0.000 1.181 287 V CA -0.068 62.289 62.300 0.095 0.000 1.054 287 V CB 0.990 32.911 31.823 0.163 0.000 1.085 287 V HN 0.984 nan 8.190 nan 0.000 0.446 288 G N -0.033 108.740 108.800 -0.046 0.000 2.440 288 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 288 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 288 G C 0.744 175.540 174.900 -0.173 0.000 1.154 288 G CA 1.460 46.505 45.100 -0.093 0.000 0.767 288 G HN 0.962 nan 8.290 nan 0.000 0.552 289 Q N 0.760 120.364 119.800 -0.327 0.000 2.303 289 Q HA 0.319 4.659 4.340 0.000 0.000 0.257 289 Q C 1.286 177.053 176.000 -0.389 0.000 0.941 289 Q CA -0.050 55.415 55.803 -0.563 0.000 0.931 289 Q CB 1.349 29.253 28.738 -1.390 0.000 1.215 289 Q HN 0.596 nan 8.270 nan 0.000 0.437 290 E N 2.426 122.470 120.200 -0.260 0.000 2.268 290 E HA -0.142 4.208 4.350 0.000 0.000 0.195 290 E C 0.910 177.417 176.600 -0.155 0.000 0.995 290 E CA 1.343 57.649 56.400 -0.156 0.000 0.836 290 E CB -0.197 29.434 29.700 -0.115 0.000 0.763 290 E HN 0.474 nan 8.360 nan 0.000 0.491 291 V N -2.722 117.102 119.914 -0.151 0.000 3.647 291 V HA 0.125 4.245 4.120 0.000 0.000 0.279 291 V C 1.268 177.435 176.094 0.121 0.000 1.314 291 V CA -0.076 62.203 62.300 -0.036 0.000 1.125 291 V CB -0.684 31.165 31.823 0.043 0.000 0.907 291 V HN 0.007 nan 8.190 nan 0.000 0.434 292 F N 2.882 122.788 119.950 -0.073 0.000 2.604 292 F HA 0.330 4.857 4.527 0.000 0.000 0.298 292 F C 2.226 177.994 175.800 -0.054 0.000 1.131 292 F CA 0.579 58.553 58.000 -0.043 0.000 1.457 292 F CB -0.916 38.082 39.000 -0.003 0.000 1.095 292 F HN 0.409 nan 8.300 nan 0.000 0.574 293 G N -0.836 107.995 108.800 0.052 0.000 2.985 293 G HA2 0.067 4.028 3.960 0.000 0.000 0.209 293 G HA3 0.067 4.028 3.960 0.000 0.000 0.209 293 G C 1.509 176.417 174.900 0.013 0.000 1.165 293 G CA -0.007 45.110 45.100 0.028 0.000 0.776 293 G HN 0.324 nan 8.290 nan 0.000 0.541 294 L N -0.056 121.169 121.223 0.002 0.000 2.477 294 L HA 0.246 4.587 4.340 0.000 0.000 0.220 294 L C -0.070 176.792 176.870 -0.012 0.000 1.106 294 L CA 0.176 55.084 54.840 0.113 0.000 0.851 294 L CB 0.500 42.664 42.059 0.174 0.000 0.994 294 L HN -0.078 nan 8.230 nan 0.000 0.462 295 V N -0.445 119.421 119.914 -0.080 0.000 2.525 295 V HA 0.248 4.368 4.120 0.000 0.000 0.299 295 V C -1.854 174.029 176.094 -0.351 0.000 1.034 295 V CA -0.985 61.178 62.300 -0.229 0.000 0.863 295 V CB 2.002 33.784 31.823 -0.068 0.000 0.999 295 V HN -0.154 nan 8.190 nan 0.000 0.423 296 P HA -0.050 nan 4.420 nan 0.000 0.220 296 P C 1.597 178.697 177.300 -0.333 0.000 1.148 296 P CA 1.306 64.131 63.100 -0.458 0.000 0.803 296 P CB 0.327 31.696 31.700 -0.551 0.000 0.782 297 G N -0.248 108.206 108.800 -0.577 0.000 2.408 297 G HA2 -0.196 3.765 3.960 0.000 0.000 0.217 297 G HA3 -0.196 3.765 3.960 0.000 0.000 0.217 297 G C 1.443 175.980 174.900 -0.605 0.000 1.150 297 G CA 0.430 44.842 45.100 -1.147 0.000 0.776 297 G HN 0.235 nan 8.290 nan 0.000 0.542 298 L N -0.705 120.264 121.223 -0.423 0.000 2.109 298 L HA 0.063 4.403 4.340 0.000 0.000 0.207 298 L C 2.751 179.439 176.870 -0.304 0.000 1.086 298 L CA 0.813 55.447 54.840 -0.344 0.000 0.760 298 L CB -0.259 41.524 42.059 -0.460 0.000 0.910 298 L HN 0.215 nan 8.230 nan 0.000 0.437 299 M N -0.387 119.054 119.600 -0.265 0.000 2.229 299 M HA -0.204 4.277 4.480 0.000 0.000 0.264 299 M C 2.155 178.293 176.300 -0.270 0.000 1.063 299 M CA 1.604 56.764 55.300 -0.233 0.000 1.114 299 M CB -0.365 32.060 32.600 -0.292 0.000 1.387 299 M HN 0.194 nan 8.290 nan 0.000 0.420 300 M N -1.333 118.079 119.600 -0.313 0.000 2.080 300 M HA -0.276 4.204 4.480 0.000 0.000 0.260 300 M C 1.631 177.738 176.300 -0.321 0.000 1.068 300 M CA 1.977 57.074 55.300 -0.339 0.000 1.109 300 M CB -0.365 32.071 32.600 -0.273 0.000 1.342 300 M HN 0.271 nan 8.290 nan 0.000 0.405 301 Y N 0.236 120.371 120.300 -0.275 0.000 2.242 301 Y HA -0.032 4.519 4.550 0.000 0.000 0.291 301 Y C 2.655 178.378 175.900 -0.295 0.000 1.137 301 Y CA 1.405 59.275 58.100 -0.384 0.000 1.181 301 Y CB -0.994 37.025 38.460 -0.735 0.000 0.989 301 Y HN 0.395 nan 8.280 nan 0.000 0.527 302 A N -0.575 122.209 122.820 -0.061 0.000 1.908 302 A HA -0.215 4.105 4.320 0.000 0.000 0.218 302 A C 2.285 179.909 177.584 0.066 0.000 1.181 302 A CA 2.404 54.529 52.037 0.146 0.000 0.627 302 A CB -1.186 17.918 19.000 0.173 0.000 0.818 302 A HN 0.421 nan 8.150 nan 0.000 0.445 303 T N 0.154 114.678 114.554 -0.051 0.000 2.777 303 T HA -0.050 4.300 4.350 0.000 0.000 0.266 303 T C 1.813 176.449 174.700 -0.107 0.000 1.040 303 T CA 1.413 63.456 62.100 -0.094 0.000 1.141 303 T CB -0.381 68.377 68.868 -0.184 0.000 0.868 303 T HN 0.419 nan 8.240 nan 0.000 0.444 304 I N -0.662 119.820 120.570 -0.147 0.000 2.179 304 I HA -0.182 3.988 4.170 0.000 0.000 0.242 304 I C 2.236 178.250 176.117 -0.172 0.000 1.088 304 I CA 1.495 62.669 61.300 -0.211 0.000 1.357 304 I CB -0.270 37.552 38.000 -0.298 0.000 1.051 304 I HN 0.328 nan 8.210 nan 0.000 0.409 305 W N 0.466 121.750 121.300 -0.027 0.000 2.418 305 W HA -0.113 4.547 4.660 0.000 0.000 0.292 305 W C 2.468 178.982 176.519 -0.008 0.000 1.213 305 W CA 0.576 57.920 57.345 -0.002 0.000 1.283 305 W CB -0.288 29.162 29.460 -0.016 0.000 1.119 305 W HN 0.099 nan 8.180 nan 0.000 0.542 306 L N 0.796 122.127 121.223 0.180 0.000 2.012 306 L HA -0.223 4.117 4.340 0.000 0.000 0.210 306 L C 2.501 179.434 176.870 0.106 0.000 1.073 306 L CA 1.824 56.733 54.840 0.115 0.000 0.748 306 L CB -0.362 41.742 42.059 0.075 0.000 0.891 306 L HN -0.096 nan 8.230 nan 0.000 0.431 307 R N -0.438 120.069 120.500 0.012 0.000 2.096 307 R HA -0.218 4.122 4.340 0.000 0.000 0.235 307 R C 2.229 178.523 176.300 -0.011 0.000 1.127 307 R CA 1.524 57.590 56.100 -0.056 0.000 0.968 307 R CB -0.255 29.965 30.300 -0.134 0.000 0.861 307 R HN 0.394 nan 8.270 nan 0.000 0.440 308 E N -0.230 119.985 120.200 0.026 0.000 2.077 308 E HA -0.228 4.122 4.350 0.000 0.000 0.193 308 E C 1.678 178.374 176.600 0.160 0.000 0.989 308 E CA 1.728 58.164 56.400 0.059 0.000 0.800 308 E CB -0.175 29.544 29.700 0.033 0.000 0.746 308 E HN 0.458 nan 8.360 nan 0.000 0.452 309 H N -0.101 119.066 119.070 0.162 0.000 2.319 309 H HA -0.048 4.508 4.556 0.000 0.000 0.299 309 H C 1.587 177.002 175.328 0.145 0.000 1.092 309 H CA 2.262 58.428 56.048 0.196 0.000 1.302 309 H CB -0.122 29.789 29.762 0.249 0.000 1.373 309 H HN 0.136 nan 8.280 nan 0.000 0.497 310 N N 0.274 119.063 118.700 0.149 0.000 2.244 310 N HA -0.129 4.611 4.740 0.000 0.000 0.183 310 N C 1.989 177.490 175.510 -0.014 0.000 1.016 310 N CA 0.857 53.942 53.050 0.057 0.000 0.866 310 N CB -0.345 38.160 38.487 0.031 0.000 0.980 310 N HN 0.409 nan 8.380 nan 0.000 0.430 311 R N 0.916 121.406 120.500 -0.016 0.000 2.073 311 R HA -0.027 4.313 4.340 0.000 0.000 0.234 311 R C 1.570 177.863 176.300 -0.012 0.000 1.134 311 R CA 1.054 57.140 56.100 -0.023 0.000 0.952 311 R CB -0.276 30.008 30.300 -0.027 0.000 0.850 311 R HN 0.006 nan 8.270 nan 0.000 0.433 312 V N 0.417 120.325 119.914 -0.010 0.000 2.515 312 V HA -0.271 3.849 4.120 0.000 0.000 0.250 312 V C 2.556 178.644 176.094 -0.010 0.000 1.058 312 V CA 1.465 63.767 62.300 0.003 0.000 1.064 312 V CB -0.465 31.376 31.823 0.030 0.000 0.675 312 V HN 0.493 nan 8.190 nan 0.000 0.461 313 C N 0.045 119.306 119.300 -0.065 0.000 2.429 313 C HA -0.164 4.296 4.460 0.000 0.000 0.277 313 C C 2.528 177.540 174.990 0.037 0.000 1.262 313 C CA 0.999 60.009 59.018 -0.014 0.000 1.733 313 C CB -0.973 26.753 27.740 -0.025 0.000 2.010 313 C HN 0.602 nan 8.230 nan 0.000 0.483 314 D N 0.657 121.069 120.400 0.020 0.000 2.117 314 D HA -0.063 4.577 4.640 0.000 0.000 0.198 314 D C 1.946 178.254 176.300 0.012 0.000 0.982 314 D CA 1.129 55.142 54.000 0.022 0.000 0.828 314 D CB -0.378 40.427 40.800 0.008 0.000 0.967 314 D HN 0.460 nan 8.370 nan 0.000 0.464 315 I N 0.669 121.244 120.570 0.008 0.000 2.226 315 I HA -0.243 3.927 4.170 0.000 0.000 0.245 315 I C 2.399 178.513 176.117 -0.006 0.000 1.100 315 I CA 0.768 62.068 61.300 -0.001 0.000 1.374 315 I CB -0.104 37.901 38.000 0.008 0.000 1.057 315 I HN -0.031 nan 8.210 nan 0.000 0.413 316 L N 0.359 121.602 121.223 0.033 0.000 2.141 316 L HA -0.190 4.150 4.340 0.000 0.000 0.209 316 L C 2.551 179.429 176.870 0.014 0.000 1.094 316 L CA 1.125 55.997 54.840 0.053 0.000 0.763 316 L CB -0.475 41.683 42.059 0.165 0.000 0.908 316 L HN 0.219 nan 8.230 nan 0.000 0.437 317 K N 0.092 120.517 120.400 0.042 0.000 2.097 317 K HA -0.251 4.070 4.320 0.000 0.000 0.205 317 K C 2.200 178.784 176.600 -0.026 0.000 1.050 317 K CA 1.285 57.596 56.287 0.041 0.000 0.938 317 K CB 0.096 32.637 32.500 0.069 0.000 0.718 317 K HN 0.062 nan 8.250 nan 0.000 0.442 318 Q N 0.974 120.747 119.800 -0.046 0.000 2.084 318 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 318 Q C 1.635 177.542 176.000 -0.155 0.000 0.978 318 Q CA 1.783 57.541 55.803 -0.075 0.000 0.844 318 Q CB 0.044 28.748 28.738 -0.058 0.000 0.898 318 Q HN 0.277 nan 8.270 nan 0.000 0.426 319 E N -0.305 119.753 120.200 -0.236 0.000 2.107 319 E HA -0.079 4.271 4.350 0.000 0.000 0.191 319 E C 0.089 176.229 176.600 -0.768 0.000 0.982 319 E CA 0.877 56.993 56.400 -0.474 0.000 0.809 319 E CB 0.066 29.448 29.700 -0.531 0.000 0.756 319 E HN 0.498 nan 8.360 nan 0.000 0.459 320 H N 0.162 118.996 119.070 -0.392 0.000 2.541 320 H HA 0.170 4.726 4.556 0.000 0.000 0.246 320 H C -1.825 173.359 175.328 -0.241 0.000 1.341 320 H CA -1.594 54.133 56.048 -0.535 0.000 1.469 320 H CB 1.379 30.285 29.762 -1.426 0.000 1.472 320 H HN 0.003 nan 8.280 nan 0.000 0.503 321 P HA -0.113 nan 4.420 nan 0.000 0.233 321 P C 1.240 178.593 177.300 0.088 0.000 1.167 321 P CA 0.822 63.937 63.100 0.025 0.000 0.770 321 P CB 0.502 32.203 31.700 0.001 0.000 0.837 322 E N -1.497 118.771 120.200 0.115 0.000 2.442 322 E HA -0.071 4.279 4.350 0.000 0.000 0.195 322 E C 0.113 176.911 176.600 0.331 0.000 1.030 322 E CA 0.007 56.518 56.400 0.186 0.000 0.869 322 E CB -0.544 29.260 29.700 0.174 0.000 0.857 322 E HN 0.120 nan 8.360 nan 0.000 0.505 323 W N 1.851 123.199 121.300 0.081 0.000 2.202 323 W HA 0.549 5.209 4.660 0.000 0.000 0.332 323 W C 1.108 177.662 176.519 0.058 0.000 1.263 323 W CA -0.145 57.231 57.345 0.052 0.000 1.223 323 W CB 0.689 30.175 29.460 0.043 0.000 1.128 323 W HN -0.019 nan 8.180 nan 0.000 0.573 324 G N 0.724 109.650 108.800 0.211 0.000 2.535 324 G HA2 0.123 4.084 3.960 0.000 0.000 0.303 324 G HA3 0.123 4.084 3.960 0.000 0.000 0.303 324 G C 0.312 175.304 174.900 0.153 0.000 1.237 324 G CA -0.173 45.012 45.100 0.142 0.000 0.986 324 G HN 0.476 nan 8.290 nan 0.000 0.494 325 D N -0.967 119.519 120.400 0.143 0.000 2.104 325 D HA -0.183 4.457 4.640 0.000 0.000 0.194 325 D C 2.013 178.419 176.300 0.176 0.000 0.994 325 D CA 1.771 55.874 54.000 0.172 0.000 0.830 325 D CB 0.090 41.000 40.800 0.182 0.000 0.959 325 D HN 0.404 nan 8.370 nan 0.000 0.452 326 E N 0.259 120.535 120.200 0.126 0.000 2.051 326 E HA -0.238 4.112 4.350 0.000 0.000 0.192 326 E C 2.081 178.739 176.600 0.097 0.000 0.991 326 E CA 1.422 57.894 56.400 0.120 0.000 0.799 326 E CB -0.375 29.365 29.700 0.066 0.000 0.748 326 E HN 0.461 nan 8.360 nan 0.000 0.449 327 Q N -0.487 119.284 119.800 -0.048 0.000 2.167 327 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 327 Q C 2.229 178.170 176.000 -0.098 0.000 0.970 327 Q CA 1.110 56.760 55.803 -0.254 0.000 0.855 327 Q CB -0.056 28.257 28.738 -0.708 0.000 0.911 327 Q HN 0.354 nan 8.270 nan 0.000 0.438 328 L N -0.307 120.999 121.223 0.138 0.000 2.017 328 L HA -0.171 4.170 4.340 0.000 0.000 0.208 328 L C 2.276 179.281 176.870 0.226 0.000 1.073 328 L CA 1.230 56.241 54.840 0.285 0.000 0.745 328 L CB -0.494 41.746 42.059 0.301 0.000 0.894 328 L HN 0.320 nan 8.230 nan 0.000 0.432 329 F N 0.534 120.553 119.950 0.114 0.000 2.075 329 F HA -0.258 4.269 4.527 0.000 0.000 0.297 329 F C 2.732 178.597 175.800 0.108 0.000 1.113 329 F CA 1.585 59.679 58.000 0.157 0.000 1.218 329 F CB -0.206 38.851 39.000 0.096 0.000 0.984 329 F HN 0.037 nan 8.300 nan 0.000 0.472 330 Q N -0.042 119.784 119.800 0.043 0.000 2.124 330 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 330 Q C 2.221 178.163 176.000 -0.096 0.000 0.977 330 Q CA 2.155 57.901 55.803 -0.095 0.000 0.850 330 Q CB -1.063 27.697 28.738 0.035 0.000 0.901 330 Q HN 0.441 nan 8.270 nan 0.000 0.429 331 T N 0.758 115.306 114.554 -0.010 0.000 2.857 331 T HA -0.047 4.303 4.350 0.000 0.000 0.266 331 T C 2.159 176.949 174.700 0.150 0.000 1.048 331 T CA 1.239 63.402 62.100 0.104 0.000 1.139 331 T CB -0.090 68.912 68.868 0.223 0.000 0.874 331 T HN 0.180 nan 8.240 nan 0.000 0.455 332 S N 0.972 116.713 115.700 0.067 0.000 2.382 332 S HA -0.082 4.388 4.470 0.000 0.000 0.228 332 S C 2.077 176.737 174.600 0.100 0.000 1.027 332 S CA 0.953 59.176 58.200 0.039 0.000 0.991 332 S CB -0.217 62.854 63.200 -0.215 0.000 0.823 332 S HN 0.433 nan 8.310 nan 0.000 0.469 333 R N 1.026 121.468 120.500 -0.096 0.000 2.073 333 R HA -0.020 4.320 4.340 0.000 0.000 0.234 333 R C 2.112 178.457 176.300 0.075 0.000 1.134 333 R CA 1.208 57.194 56.100 -0.190 0.000 0.952 333 R CB -0.380 29.461 30.300 -0.765 0.000 0.850 333 R HN 0.348 nan 8.270 nan 0.000 0.433 334 L N 0.298 121.607 121.223 0.143 0.000 2.083 334 L HA -0.175 4.165 4.340 0.000 0.000 0.209 334 L C 2.407 179.558 176.870 0.469 0.000 1.083 334 L CA 1.151 56.207 54.840 0.360 0.000 0.752 334 L CB -0.313 41.994 42.059 0.413 0.000 0.899 334 L HN 0.289 nan 8.230 nan 0.000 0.433 335 I N -0.707 120.091 120.570 0.379 0.000 2.202 335 I HA -0.295 3.875 4.170 0.000 0.000 0.242 335 I C 2.329 178.578 176.117 0.220 0.000 1.091 335 I CA 1.097 62.537 61.300 0.234 0.000 1.368 335 I CB -0.128 38.003 38.000 0.219 0.000 1.058 335 I HN 0.157 nan 8.210 nan 0.000 0.410 336 L N 0.313 121.702 121.223 0.276 0.000 2.131 336 L HA -0.182 4.158 4.340 0.000 0.000 0.210 336 L C 2.292 179.299 176.870 0.228 0.000 1.092 336 L CA 1.716 56.753 54.840 0.329 0.000 0.759 336 L CB -0.485 41.820 42.059 0.411 0.000 0.903 336 L HN 0.167 nan 8.230 nan 0.000 0.435 337 I N -1.049 119.651 120.570 0.216 0.000 2.179 337 I HA -0.260 3.910 4.170 0.000 0.000 0.242 337 I C 2.509 178.734 176.117 0.180 0.000 1.088 337 I CA 1.500 62.910 61.300 0.183 0.000 1.357 337 I CB -0.979 37.151 38.000 0.217 0.000 1.051 337 I HN 0.346 nan 8.210 nan 0.000 0.409 338 G N 0.180 109.114 108.800 0.224 0.000 2.418 338 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 338 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 338 G C 1.523 176.516 174.900 0.155 0.000 1.158 338 G CA 0.601 45.839 45.100 0.230 0.000 0.771 338 G HN 0.406 nan 8.290 nan 0.000 0.545 339 E N -0.132 120.183 120.200 0.191 0.000 2.085 339 E HA -0.119 4.231 4.350 0.000 0.000 0.194 339 E C 2.800 179.560 176.600 0.267 0.000 0.994 339 E CA 1.503 58.050 56.400 0.245 0.000 0.801 339 E CB -0.219 29.702 29.700 0.367 0.000 0.743 339 E HN 0.369 nan 8.360 nan 0.000 0.453 340 T N 1.494 116.194 114.554 0.243 0.000 2.674 340 T HA -0.137 4.213 4.350 0.000 0.000 0.265 340 T C 2.035 176.745 174.700 0.017 0.000 1.039 340 T CA 1.083 63.291 62.100 0.180 0.000 1.150 340 T CB -0.249 68.621 68.868 0.003 0.000 0.864 340 T HN 0.116 nan 8.240 nan 0.000 0.427 341 I N 0.963 121.461 120.570 -0.119 0.000 2.286 341 I HA -0.177 3.993 4.170 0.000 0.000 0.248 341 I C 2.552 178.301 176.117 -0.613 0.000 1.115 341 I CA 1.155 62.230 61.300 -0.375 0.000 1.392 341 I CB -0.340 37.342 38.000 -0.530 0.000 1.065 341 I HN 0.147 nan 8.210 nan 0.000 0.418 342 K N 1.909 121.959 120.400 -0.583 0.000 2.009 342 K HA -0.149 4.171 4.320 0.000 0.000 0.210 342 K C 1.882 178.468 176.600 -0.023 0.000 1.049 342 K CA 1.812 57.956 56.287 -0.238 0.000 0.929 342 K CB -0.361 32.194 32.500 0.091 0.000 0.714 342 K HN 0.247 nan 8.250 nan 0.000 0.440 343 I N -0.007 120.592 120.570 0.047 0.000 2.315 343 I HA -0.224 3.946 4.170 0.000 0.000 0.248 343 I C 2.041 178.212 176.117 0.091 0.000 1.117 343 I CA 0.699 62.064 61.300 0.109 0.000 1.404 343 I CB -0.133 37.995 38.000 0.214 0.000 1.071 343 I HN -0.026 nan 8.210 nan 0.000 0.419 344 V N 1.215 121.135 119.914 0.011 0.000 2.287 344 V HA -0.289 3.831 4.120 0.000 0.000 0.248 344 V C 2.277 178.450 176.094 0.132 0.000 1.053 344 V CA 1.981 64.266 62.300 -0.025 0.000 1.027 344 V CB -0.379 31.247 31.823 -0.328 0.000 0.646 344 V HN 0.318 nan 8.190 nan 0.000 0.447 345 I N -0.363 120.244 120.570 0.063 0.000 2.162 345 I HA -0.183 3.987 4.170 0.000 0.000 0.238 345 I C 2.406 178.596 176.117 0.122 0.000 1.076 345 I CA 1.655 63.021 61.300 0.110 0.000 1.353 345 I CB -0.354 37.708 38.000 0.103 0.000 1.063 345 I HN 0.318 nan 8.210 nan 0.000 0.408 346 E N 0.082 120.347 120.200 0.109 0.000 2.442 346 E HA -0.094 4.256 4.350 0.000 0.000 0.195 346 E C 0.827 177.491 176.600 0.107 0.000 1.030 346 E CA 0.509 56.965 56.400 0.093 0.000 0.869 346 E CB 0.277 30.029 29.700 0.087 0.000 0.857 346 E HN 0.505 nan 8.360 nan 0.000 0.505 347 D N -0.974 119.528 120.400 0.170 0.000 2.753 347 D HA -0.039 4.601 4.640 0.000 0.000 0.291 347 D C 1.382 177.950 176.300 0.447 0.000 1.075 347 D CA 0.198 54.358 54.000 0.266 0.000 0.946 347 D CB -0.133 40.804 40.800 0.228 0.000 1.376 347 D HN 0.068 nan 8.370 nan 0.000 0.482 348 Y N 2.316 122.722 120.300 0.176 0.000 2.153 348 Y HA -0.074 4.476 4.550 0.001 0.000 0.289 348 Y C 2.140 178.114 175.900 0.123 0.000 1.119 348 Y CA 1.297 59.343 58.100 -0.090 0.000 1.116 348 Y CB -0.364 37.889 38.460 -0.344 0.000 1.004 348 Y HN -0.286 nan 8.280 nan 0.000 0.501 349 V N 0.889 120.898 119.914 0.159 0.000 2.427 349 V HA -0.285 3.836 4.120 0.000 0.000 0.248 349 V C 2.314 178.397 176.094 -0.019 0.000 1.051 349 V CA 2.075 64.417 62.300 0.070 0.000 1.048 349 V CB -0.789 31.141 31.823 0.178 0.000 0.666 349 V HN 0.423 nan 8.190 nan 0.000 0.456 350 Q N 0.476 120.299 119.800 0.038 0.000 2.045 350 Q HA -0.290 4.051 4.340 0.000 0.000 0.206 350 Q C 2.151 178.118 176.000 -0.055 0.000 0.991 350 Q CA 2.682 58.481 55.803 -0.005 0.000 0.851 350 Q CB -0.544 28.225 28.738 0.052 0.000 0.911 350 Q HN 0.847 nan 8.270 nan 0.000 0.418 351 H N -0.726 118.304 119.070 -0.067 0.000 2.357 351 H HA -0.017 4.539 4.556 0.000 0.000 0.301 351 H C 1.754 176.922 175.328 -0.266 0.000 1.082 351 H CA 1.729 57.698 56.048 -0.132 0.000 1.342 351 H CB -0.229 29.505 29.762 -0.045 0.000 1.389 351 H HN 0.310 nan 8.280 nan 0.000 0.511 352 L N 0.094 121.094 121.223 -0.372 0.000 2.012 352 L HA -0.232 4.108 4.340 0.000 0.000 0.210 352 L C 2.865 179.498 176.870 -0.395 0.000 1.073 352 L CA 1.749 56.359 54.840 -0.383 0.000 0.748 352 L CB -0.656 41.344 42.059 -0.098 0.000 0.891 352 L HN 0.516 nan 8.230 nan 0.000 0.431 353 S N -0.456 114.980 115.700 -0.440 0.000 2.382 353 S HA -0.112 4.358 4.470 0.000 0.000 0.228 353 S C 1.731 175.912 174.600 -0.699 0.000 1.027 353 S CA 0.918 58.647 58.200 -0.785 0.000 0.991 353 S CB -0.615 61.785 63.200 -1.334 0.000 0.823 353 S HN 0.606 nan 8.310 nan 0.000 0.469 354 G N -0.131 108.363 108.800 -0.511 0.000 2.155 354 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 354 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 354 G C -0.150 174.569 174.900 -0.302 0.000 0.983 354 G CA 0.412 45.290 45.100 -0.371 0.000 0.676 354 G HN 0.539 nan 8.290 nan 0.000 0.528 355 Y N -0.200 119.898 120.300 -0.337 0.000 2.336 355 Y HA 0.458 5.008 4.550 0.000 0.000 0.331 355 Y C 1.696 177.357 175.900 -0.399 0.000 1.211 355 Y CA -0.437 57.414 58.100 -0.415 0.000 1.346 355 Y CB 0.367 38.658 38.460 -0.282 0.000 1.271 355 Y HN 0.303 nan 8.280 nan 0.000 0.538 356 H N 0.833 119.793 119.070 -0.183 0.000 2.512 356 H HA -0.006 4.550 4.556 0.000 0.000 0.279 356 H C 0.079 175.311 175.328 -0.160 0.000 0.999 356 H CA -0.060 55.898 56.048 -0.150 0.000 1.283 356 H CB 0.149 29.882 29.762 -0.050 0.000 1.421 356 H HN 0.434 nan 8.280 nan 0.000 0.554 357 F N 2.812 122.461 119.950 -0.502 0.000 2.538 357 F HA 0.070 4.597 4.527 0.000 0.000 0.371 357 F C 0.484 176.233 175.800 -0.087 0.000 1.087 357 F CA -0.638 57.139 58.000 -0.370 0.000 1.250 357 F CB 0.441 38.965 39.000 -0.793 0.000 1.110 357 F HN -0.191 nan 8.300 nan 0.000 0.570 358 K N 7.934 127.872 120.400 -0.769 0.000 2.292 358 K HA 0.305 4.625 4.320 0.000 0.000 0.290 358 K C -0.642 175.431 176.600 -0.879 0.000 1.083 358 K CA -0.426 55.508 56.287 -0.588 0.000 0.918 358 K CB 0.197 32.508 32.500 -0.315 0.000 1.089 358 K HN 0.739 nan 8.250 nan 0.000 0.473 359 L N 3.437 124.402 121.223 -0.430 0.000 2.464 359 L HA 0.231 4.571 4.340 0.000 0.000 0.264 359 L C 0.291 177.114 176.870 -0.079 0.000 1.199 359 L CA 0.106 54.847 54.840 -0.165 0.000 0.818 359 L CB 0.445 42.536 42.059 0.053 0.000 1.102 359 L HN 0.571 nan 8.230 nan 0.000 0.473 360 K N 1.534 121.954 120.400 0.033 0.000 2.482 360 K HA 0.310 4.630 4.320 0.000 0.000 0.251 360 K C -1.539 175.141 176.600 0.135 0.000 0.936 360 K CA -0.689 55.633 56.287 0.058 0.000 0.791 360 K CB 1.550 34.065 32.500 0.025 0.000 1.213 360 K HN 0.309 nan 8.250 nan 0.000 0.428 361 F N 4.520 124.460 119.950 -0.017 0.000 2.375 361 F HA 0.331 4.858 4.527 0.000 0.000 0.362 361 F C -0.915 174.826 175.800 -0.099 0.000 1.129 361 F CA -0.564 57.405 58.000 -0.052 0.000 1.154 361 F CB 0.520 39.506 39.000 -0.023 0.000 1.205 361 F HN 0.491 nan 8.300 nan 0.000 0.513 362 D N 8.123 128.212 120.400 -0.518 0.000 2.365 362 D HA 0.330 4.970 4.640 0.000 0.000 0.235 362 D C -2.344 173.529 176.300 -0.711 0.000 1.368 362 D CA -1.831 51.797 54.000 -0.619 0.000 1.001 362 D CB 1.967 42.609 40.800 -0.264 0.000 1.364 362 D HN 0.161 nan 8.370 nan 0.000 0.577 363 P HA -0.076 nan 4.420 nan 0.000 0.221 363 P C 0.759 177.363 177.300 -1.160 0.000 1.145 363 P CA 0.842 63.358 63.100 -0.974 0.000 0.795 363 P CB 0.354 31.283 31.700 -1.285 0.000 0.775 364 E N -0.663 118.907 120.200 -1.050 0.000 2.333 364 E HA -0.102 4.249 4.350 0.000 0.000 0.198 364 E C 1.677 177.899 176.600 -0.629 0.000 1.007 364 E CA 0.525 56.273 56.400 -1.087 0.000 0.845 364 E CB -0.522 29.015 29.700 -0.272 0.000 0.766 364 E HN 0.324 nan 8.360 nan 0.000 0.507 365 L N 0.172 121.133 121.223 -0.437 0.000 2.275 365 L HA -0.134 4.206 4.340 0.000 0.000 0.215 365 L C 1.920 178.692 176.870 -0.164 0.000 1.119 365 L CA 0.759 55.472 54.840 -0.212 0.000 0.790 365 L CB -0.076 41.892 42.059 -0.152 0.000 0.919 365 L HN 0.171 nan 8.230 nan 0.000 0.443 366 L N -2.128 118.946 121.223 -0.249 0.000 2.640 366 L HA 0.080 4.421 4.340 0.000 0.000 0.230 366 L C 1.899 178.899 176.870 0.217 0.000 1.123 366 L CA -0.027 54.771 54.840 -0.070 0.000 0.900 366 L CB -0.122 41.807 42.059 -0.217 0.000 1.146 366 L HN 0.158 nan 8.230 nan 0.000 0.484 367 F N 1.489 121.503 119.950 0.106 0.000 2.293 367 F HA -0.153 4.374 4.527 0.000 0.000 0.300 367 F C 1.958 177.834 175.800 0.126 0.000 1.086 367 F CA 0.464 58.551 58.000 0.144 0.000 1.375 367 F CB -0.015 39.063 39.000 0.131 0.000 1.045 367 F HN 0.410 nan 8.300 nan 0.000 0.516 368 N N -0.834 118.033 118.700 0.277 0.000 2.230 368 N HA -0.003 4.737 4.740 0.000 0.000 0.202 368 N C -0.154 175.448 175.510 0.153 0.000 1.119 368 N CA 0.139 53.301 53.050 0.188 0.000 0.851 368 N CB -0.118 38.458 38.487 0.149 0.000 0.990 368 N HN 0.163 nan 8.380 nan 0.000 0.497 369 Q N 0.471 120.372 119.800 0.167 0.000 2.297 369 Q HA 0.301 4.641 4.340 0.000 0.000 0.268 369 Q C -0.494 175.606 176.000 0.167 0.000 1.045 369 Q CA -0.419 55.467 55.803 0.139 0.000 0.861 369 Q CB 1.754 30.556 28.738 0.105 0.000 1.344 369 Q HN 0.289 nan 8.270 nan 0.000 0.452 370 Q N 1.251 121.136 119.800 0.142 0.000 2.296 370 Q HA 0.399 4.739 4.340 0.000 0.000 0.263 370 Q C -1.145 174.963 176.000 0.180 0.000 1.026 370 Q CA 0.231 56.115 55.803 0.135 0.000 0.912 370 Q CB 0.362 29.157 28.738 0.095 0.000 1.198 370 Q HN 0.350 nan 8.270 nan 0.000 0.407 371 F N 1.514 121.419 119.950 -0.075 0.000 2.615 371 F HA 0.202 4.729 4.527 0.000 0.000 0.312 371 F C -1.323 174.283 175.800 -0.323 0.000 1.119 371 F CA -0.852 57.019 58.000 -0.215 0.000 0.979 371 F CB 1.823 40.632 39.000 -0.318 0.000 1.266 371 F HN 0.270 nan 8.300 nan 0.000 0.444 372 Q N 5.452 124.712 119.800 -0.900 0.000 2.331 372 Q HA 0.190 4.530 4.340 0.000 0.000 0.257 372 Q C -1.207 174.414 176.000 -0.631 0.000 0.957 372 Q CA -0.245 55.215 55.803 -0.572 0.000 0.923 372 Q CB 1.003 29.506 28.738 -0.392 0.000 1.212 372 Q HN 0.697 nan 8.270 nan 0.000 0.443 373 Y N 2.856 123.148 120.300 -0.014 0.000 2.851 373 Y HA 0.049 4.599 4.550 0.001 0.000 0.369 373 Y C 0.663 176.577 175.900 0.023 0.000 1.226 373 Y CA -0.211 57.953 58.100 0.107 0.000 1.949 373 Y CB 0.137 38.713 38.460 0.193 0.000 2.059 373 Y HN 0.402 nan 8.280 nan 0.000 0.420 374 Q N -0.265 119.553 119.800 0.029 0.000 2.522 374 Q HA 0.562 4.902 4.340 0.000 0.000 0.285 374 Q C -1.935 174.036 176.000 -0.047 0.000 0.982 374 Q CA -1.285 54.521 55.803 0.005 0.000 0.805 374 Q CB 2.211 30.942 28.738 -0.012 0.000 1.457 374 Q HN 0.247 nan 8.270 nan 0.000 0.394 375 N N -0.179 118.498 118.700 -0.038 0.000 2.405 375 N HA 0.556 5.296 4.740 0.000 0.000 0.274 375 N C -2.162 173.304 175.510 -0.074 0.000 1.170 375 N CA -0.568 52.452 53.050 -0.050 0.000 0.848 375 N CB 2.385 40.858 38.487 -0.023 0.000 1.629 375 N HN 0.608 nan 8.380 nan 0.000 0.481 376 R N 2.969 123.416 120.500 -0.088 0.000 2.476 376 R HA 0.513 4.853 4.340 0.000 0.000 0.305 376 R C -0.935 175.404 176.300 0.066 0.000 0.965 376 R CA -0.584 55.416 56.100 -0.166 0.000 0.867 376 R CB 0.524 30.648 30.300 -0.294 0.000 1.176 376 R HN 0.517 nan 8.270 nan 0.000 0.447 377 I N 3.813 124.594 120.570 0.352 0.000 2.587 377 I HA 0.171 4.341 4.170 0.000 0.000 0.284 377 I C 0.627 176.964 176.117 0.368 0.000 1.134 377 I CA 0.091 61.612 61.300 0.369 0.000 1.410 377 I CB 0.265 38.536 38.000 0.450 0.000 1.392 377 I HN 0.714 nan 8.210 nan 0.000 0.545 378 A N 4.885 127.802 122.820 0.161 0.000 2.316 378 A HA 0.286 4.606 4.320 0.000 0.000 0.284 378 A C 1.269 178.815 177.584 -0.064 0.000 1.115 378 A CA -0.129 51.910 52.037 0.003 0.000 0.812 378 A CB 0.716 19.524 19.000 -0.320 0.000 1.064 378 A HN 0.788 nan 8.150 nan 0.000 0.489 379 S N 0.701 116.351 115.700 -0.084 0.000 2.382 379 S HA -0.148 4.323 4.470 0.000 0.000 0.228 379 S C 1.493 175.982 174.600 -0.185 0.000 1.027 379 S CA 2.147 60.195 58.200 -0.253 0.000 0.991 379 S CB -0.344 62.824 63.200 -0.053 0.000 0.823 379 S HN 0.767 nan 8.310 nan 0.000 0.469 380 E N 0.168 120.279 120.200 -0.147 0.000 2.152 380 E HA 0.020 4.370 4.350 0.000 0.000 0.192 380 E C 1.513 178.044 176.600 -0.116 0.000 0.983 380 E CA 0.755 57.100 56.400 -0.093 0.000 0.818 380 E CB -0.314 29.332 29.700 -0.090 0.000 0.758 380 E HN 0.575 nan 8.360 nan 0.000 0.467 381 F N 1.925 121.537 119.950 -0.563 0.000 2.186 381 F HA -0.139 4.388 4.527 0.000 0.000 0.299 381 F C 1.909 177.560 175.800 -0.248 0.000 1.090 381 F CA 1.116 58.895 58.000 -0.368 0.000 1.307 381 F CB -0.369 38.336 39.000 -0.493 0.000 1.019 381 F HN 0.009 nan 8.300 nan 0.000 0.489 382 N N 0.067 118.396 118.700 -0.618 0.000 2.043 382 N HA -0.176 4.564 4.740 0.000 0.000 0.193 382 N C 1.750 176.906 175.510 -0.590 0.000 1.037 382 N CA 2.343 54.597 53.050 -1.327 0.000 0.851 382 N CB -0.646 37.178 38.487 -1.104 0.000 1.027 382 N HN 0.282 nan 8.380 nan 0.000 0.422 383 T N 1.984 116.340 114.554 -0.329 0.000 2.684 383 T HA -0.156 4.194 4.350 0.000 0.000 0.267 383 T C 1.932 176.627 174.700 -0.009 0.000 1.036 383 T CA 1.764 63.709 62.100 -0.258 0.000 1.148 383 T CB -0.403 68.340 68.868 -0.208 0.000 0.863 383 T HN 0.423 nan 8.240 nan 0.000 0.436 384 L N -1.289 119.955 121.223 0.034 0.000 2.275 384 L HA 0.159 4.499 4.340 0.000 0.000 0.215 384 L C 1.964 178.915 176.870 0.134 0.000 1.119 384 L CA 1.414 56.337 54.840 0.138 0.000 0.790 384 L CB -1.148 40.987 42.059 0.126 0.000 0.919 384 L HN 0.168 nan 8.230 nan 0.000 0.443 385 Y N -0.155 120.016 120.300 -0.216 0.000 2.490 385 Y HA 0.126 4.676 4.550 0.001 0.000 0.281 385 Y C 0.966 176.505 175.900 -0.601 0.000 1.174 385 Y CA -0.156 57.515 58.100 -0.714 0.000 1.295 385 Y CB -0.082 37.915 38.460 -0.771 0.000 1.062 385 Y HN 0.272 nan 8.280 nan 0.000 0.522 386 H N 0.238 119.274 119.070 -0.057 0.000 3.792 386 H HA -0.103 4.453 4.556 0.001 0.000 0.229 386 H C -0.561 174.965 175.328 0.331 0.000 1.632 386 H CA -0.116 55.997 56.048 0.108 0.000 1.522 386 H CB -0.502 29.412 29.762 0.252 0.000 1.822 386 H HN 0.387 nan 8.280 nan 0.000 0.672 387 W N 1.589 122.933 121.300 0.073 0.000 2.237 387 W HA 0.111 4.771 4.660 0.001 0.000 0.420 387 W C 0.703 177.258 176.519 0.060 0.000 0.635 387 W CA -0.950 56.476 57.345 0.135 0.000 2.255 387 W CB -1.207 28.388 29.460 0.224 0.000 1.432 387 W HN 0.608 nan 8.180 nan 0.000 0.643 388 H N 0.227 119.549 119.070 0.420 0.000 2.491 388 H HA -0.072 4.485 4.556 0.000 0.000 0.290 388 H C -0.539 174.950 175.328 0.268 0.000 1.050 388 H CA 1.127 57.365 56.048 0.316 0.000 1.309 388 H CB -1.099 28.830 29.762 0.279 0.000 1.392 388 H HN 0.018 nan 8.280 nan 0.000 0.554 389 P HA -0.151 nan 4.420 nan 0.000 0.221 389 P C 1.116 178.540 177.300 0.206 0.000 1.145 389 P CA 1.066 64.298 63.100 0.221 0.000 0.795 389 P CB 0.022 31.808 31.700 0.142 0.000 0.775 390 L N -1.760 119.601 121.223 0.230 0.000 2.131 390 L HA -0.123 4.218 4.340 0.000 0.000 0.210 390 L C 1.142 178.120 176.870 0.179 0.000 1.092 390 L CA 0.572 55.533 54.840 0.202 0.000 0.759 390 L CB -0.836 41.377 42.059 0.256 0.000 0.903 390 L HN -0.014 nan 8.230 nan 0.000 0.435 391 L N 1.451 122.795 121.223 0.201 0.000 2.499 391 L HA 0.094 4.434 4.340 0.000 0.000 0.273 391 L C -1.856 175.050 176.870 0.060 0.000 1.195 391 L CA -1.508 53.413 54.840 0.136 0.000 0.882 391 L CB -0.242 42.051 42.059 0.390 0.000 1.133 391 L HN -0.089 nan 8.230 nan 0.000 0.483 392 P HA 0.125 nan 4.420 nan 0.000 0.282 392 P C -0.352 176.692 177.300 -0.427 0.000 1.287 392 P CA -0.472 62.304 63.100 -0.541 0.000 0.792 392 P CB 1.055 32.309 31.700 -0.743 0.000 1.163 393 D N -1.150 118.977 120.400 -0.455 0.000 2.149 393 D HA -0.020 4.620 4.640 0.000 0.000 0.201 393 D C 0.744 176.920 176.300 -0.205 0.000 0.972 393 D CA 1.635 55.539 54.000 -0.160 0.000 0.835 393 D CB -0.054 40.654 40.800 -0.154 0.000 0.966 393 D HN 0.518 nan 8.370 nan 0.000 0.476 394 T N -2.093 112.206 114.554 -0.426 0.000 2.906 394 T HA 0.558 4.908 4.350 0.000 0.000 0.295 394 T C -0.621 173.719 174.700 -0.600 0.000 1.061 394 T CA -0.894 60.974 62.100 -0.386 0.000 1.000 394 T CB 1.377 70.138 68.868 -0.178 0.000 1.103 394 T HN -0.224 nan 8.240 nan 0.000 0.486 395 F N 2.222 121.997 119.950 -0.292 0.000 2.371 395 F HA 0.424 4.951 4.527 0.001 0.000 0.363 395 F C 0.433 176.194 175.800 -0.066 0.000 1.122 395 F CA -1.011 56.821 58.000 -0.280 0.000 1.129 395 F CB 0.815 39.330 39.000 -0.808 0.000 1.173 395 F HN 0.437 nan 8.300 nan 0.000 0.489 396 N N 5.572 124.313 118.700 0.069 0.000 2.500 396 N HA 0.400 5.140 4.740 0.000 0.000 0.236 396 N C -0.764 174.665 175.510 -0.134 0.000 1.022 396 N CA -0.170 52.857 53.050 -0.039 0.000 0.935 396 N CB 1.049 39.491 38.487 -0.075 0.000 1.147 396 N HN 0.481 nan 8.380 nan 0.000 0.512 397 I N 0.811 121.253 120.570 -0.212 0.000 2.382 397 I HA 0.177 4.348 4.170 0.000 0.000 0.286 397 I C 1.069 176.905 176.117 -0.468 0.000 1.002 397 I CA -0.463 60.536 61.300 -0.500 0.000 1.135 397 I CB 1.180 38.733 38.000 -0.745 0.000 1.288 397 I HN 0.525 nan 8.210 nan 0.000 0.448 398 E N 3.236 123.228 120.200 -0.348 0.000 3.211 398 E HA -0.325 4.026 4.350 0.000 0.000 0.393 398 E C 0.229 176.766 176.600 -0.105 0.000 1.515 398 E CA 2.177 58.476 56.400 -0.167 0.000 1.385 398 E CB -0.470 29.194 29.700 -0.061 0.000 1.616 398 E HN 0.790 nan 8.360 nan 0.000 0.489 399 D N 0.555 120.929 120.400 -0.043 0.000 2.305 399 D HA 0.002 4.642 4.640 0.000 0.000 0.206 399 D C 0.311 176.558 176.300 -0.090 0.000 0.974 399 D CA 0.694 54.669 54.000 -0.042 0.000 0.871 399 D CB 0.050 40.849 40.800 -0.001 0.000 0.947 399 D HN 0.137 nan 8.370 nan 0.000 0.516 400 Q N 0.804 120.524 119.800 -0.133 0.000 2.260 400 Q HA 0.328 4.668 4.340 0.000 0.000 0.242 400 Q C -0.210 175.570 176.000 -0.367 0.000 0.932 400 Q CA 0.192 55.814 55.803 -0.301 0.000 0.891 400 Q CB 1.469 29.924 28.738 -0.471 0.000 1.222 400 Q HN 0.161 nan 8.270 nan 0.000 0.453 401 E N 1.798 121.754 120.200 -0.406 0.000 2.235 401 E HA 0.280 4.630 4.350 0.000 0.000 0.252 401 E C -1.268 175.177 176.600 -0.259 0.000 0.886 401 E CA -0.303 55.939 56.400 -0.263 0.000 0.767 401 E CB 0.997 30.605 29.700 -0.153 0.000 1.205 401 E HN 0.376 nan 8.360 nan 0.000 0.421 402 Y N 1.195 121.540 120.300 0.074 0.000 2.320 402 Y HA 0.168 4.719 4.550 0.001 0.000 0.334 402 Y C 1.087 177.076 175.900 0.148 0.000 1.055 402 Y CA -0.718 57.476 58.100 0.156 0.000 1.143 402 Y CB 1.283 39.916 38.460 0.290 0.000 1.193 402 Y HN 0.380 nan 8.280 nan 0.000 0.477 403 S N 1.467 117.353 115.700 0.309 0.000 2.624 403 S HA 0.198 4.668 4.470 0.000 0.000 0.263 403 S C 0.833 175.662 174.600 0.382 0.000 1.287 403 S CA -0.551 57.819 58.200 0.284 0.000 0.990 403 S CB 0.405 63.751 63.200 0.243 0.000 0.950 403 S HN 0.572 nan 8.310 nan 0.000 0.561 404 F N 1.222 121.358 119.950 0.311 0.000 2.091 404 F HA -0.082 4.445 4.527 0.000 0.000 0.299 404 F C 2.598 178.533 175.800 0.226 0.000 1.103 404 F CA 2.160 60.364 58.000 0.340 0.000 1.228 404 F CB -0.583 38.568 39.000 0.250 0.000 0.984 404 F HN 0.655 nan 8.300 nan 0.000 0.477 405 K N 0.673 121.291 120.400 0.364 0.000 2.032 405 K HA -0.229 4.091 4.320 0.000 0.000 0.209 405 K C 1.834 178.553 176.600 0.197 0.000 1.048 405 K CA 1.841 58.268 56.287 0.233 0.000 0.927 405 K CB -0.475 32.145 32.500 0.200 0.000 0.712 405 K HN 0.346 nan 8.250 nan 0.000 0.441 406 Q N -1.378 118.570 119.800 0.246 0.000 2.230 406 Q HA -0.050 4.291 4.340 0.000 0.000 0.202 406 Q C 1.801 177.916 176.000 0.192 0.000 0.963 406 Q CA 1.113 57.064 55.803 0.247 0.000 0.866 406 Q CB -0.107 28.845 28.738 0.355 0.000 0.931 406 Q HN 0.308 nan 8.270 nan 0.000 0.452 407 F N 0.839 120.795 119.950 0.011 0.000 2.219 407 F HA 0.084 4.612 4.527 0.001 0.000 0.294 407 F C 0.659 176.320 175.800 -0.232 0.000 1.086 407 F CA 0.271 58.167 58.000 -0.172 0.000 1.330 407 F CB 0.224 39.048 39.000 -0.294 0.000 1.047 407 F HN -0.136 nan 8.300 nan 0.000 0.495 408 L N 0.819 121.915 121.223 -0.213 0.000 2.456 408 L HA -0.039 4.301 4.340 0.000 0.000 0.272 408 L C 0.495 177.001 176.870 -0.607 0.000 1.189 408 L CA -0.067 54.441 54.840 -0.553 0.000 0.846 408 L CB -0.323 41.261 42.059 -0.792 0.000 1.111 408 L HN 0.482 nan 8.230 nan 0.000 0.475 409 Y N -0.061 120.230 120.300 -0.015 0.000 4.819 409 Y HA -0.313 4.237 4.550 0.000 0.000 0.230 409 Y C 0.724 176.640 175.900 0.028 0.000 1.009 409 Y CA 0.327 58.455 58.100 0.046 0.000 1.971 409 Y CB -1.692 36.833 38.460 0.109 0.000 1.587 409 Y HN 0.674 nan 8.280 nan 0.000 0.587 410 N N 1.615 120.291 118.700 -0.039 0.000 3.091 410 N HA 0.171 4.912 4.740 0.000 0.000 0.255 410 N C 0.343 175.771 175.510 -0.136 0.000 1.204 410 N CA -0.152 52.863 53.050 -0.059 0.000 0.990 410 N CB 0.006 38.429 38.487 -0.107 0.000 1.260 410 N HN 0.264 nan 8.380 nan 0.000 0.502 411 N N -0.250 118.432 118.700 -0.031 0.000 2.515 411 N HA -0.099 4.641 4.740 0.000 0.000 0.185 411 N C 1.474 176.953 175.510 -0.053 0.000 1.109 411 N CA 0.391 53.413 53.050 -0.047 0.000 0.903 411 N CB 0.186 38.762 38.487 0.148 0.000 0.969 411 N HN 0.512 nan 8.380 nan 0.000 0.450 412 S N 0.253 115.933 115.700 -0.033 0.000 2.447 412 S HA 0.016 4.486 4.470 0.000 0.000 0.233 412 S C 1.943 176.510 174.600 -0.054 0.000 1.006 412 S CA 0.261 58.436 58.200 -0.042 0.000 0.957 412 S CB -0.391 62.796 63.200 -0.021 0.000 0.773 412 S HN 0.226 nan 8.310 nan 0.000 0.507 413 I N 0.790 121.323 120.570 -0.061 0.000 2.226 413 I HA -0.130 4.040 4.170 0.000 0.000 0.245 413 I C 2.483 178.686 176.117 0.143 0.000 1.100 413 I CA 1.024 62.337 61.300 0.023 0.000 1.374 413 I CB -0.432 37.497 38.000 -0.118 0.000 1.057 413 I HN 0.290 nan 8.210 nan 0.000 0.413 414 L N 0.675 121.842 121.223 -0.093 0.000 2.046 414 L HA -0.182 4.159 4.340 0.000 0.000 0.208 414 L C 2.316 179.045 176.870 -0.236 0.000 1.077 414 L CA 1.822 56.399 54.840 -0.438 0.000 0.747 414 L CB -0.325 41.364 42.059 -0.616 0.000 0.896 414 L HN 0.140 nan 8.230 nan 0.000 0.432 415 L N -0.930 120.171 121.223 -0.204 0.000 2.141 415 L HA -0.158 4.182 4.340 0.000 0.000 0.209 415 L C 2.480 179.309 176.870 -0.069 0.000 1.094 415 L CA 1.188 55.921 54.840 -0.179 0.000 0.763 415 L CB -0.541 41.394 42.059 -0.207 0.000 0.908 415 L HN 0.361 nan 8.230 nan 0.000 0.437 416 E N -0.190 119.968 120.200 -0.070 0.000 2.015 416 E HA -0.213 4.137 4.350 0.000 0.000 0.191 416 E C 2.222 178.748 176.600 -0.124 0.000 0.991 416 E CA 1.489 57.813 56.400 -0.126 0.000 0.802 416 E CB 0.021 29.594 29.700 -0.213 0.000 0.759 416 E HN 0.418 nan 8.360 nan 0.000 0.447 417 H N -0.573 118.579 119.070 0.137 0.000 2.415 417 H HA 0.247 4.803 4.556 0.000 0.000 0.297 417 H C 1.093 176.501 175.328 0.134 0.000 1.048 417 H CA 1.130 57.281 56.048 0.173 0.000 1.365 417 H CB 0.100 30.038 29.762 0.294 0.000 1.421 417 H HN 0.316 nan 8.280 nan 0.000 0.533 418 G N 0.082 108.999 108.800 0.195 0.000 2.699 418 G HA2 -0.211 3.749 3.960 0.000 0.000 0.686 418 G HA3 -0.211 3.749 3.960 0.000 0.000 0.686 418 G C 0.345 175.268 174.900 0.038 0.000 1.301 418 G CA -0.137 45.020 45.100 0.094 0.000 0.816 418 G HN 0.167 nan 8.290 nan 0.000 0.595 419 L N 0.699 121.884 121.223 -0.063 0.000 2.093 419 L HA 0.035 4.376 4.340 0.000 0.000 0.208 419 L C 3.234 180.099 176.870 -0.008 0.000 1.085 419 L CA 3.017 57.793 54.840 -0.105 0.000 0.755 419 L CB -0.767 41.178 42.059 -0.191 0.000 0.904 419 L HN 0.830 nan 8.230 nan 0.000 0.435 420 T N -1.697 112.854 114.554 -0.005 0.000 2.684 420 T HA -0.284 4.066 4.350 0.000 0.000 0.267 420 T C 1.866 176.586 174.700 0.032 0.000 1.036 420 T CA 1.544 63.646 62.100 0.003 0.000 1.148 420 T CB -0.195 68.673 68.868 0.001 0.000 0.863 420 T HN 0.187 nan 8.240 nan 0.000 0.436 421 Q N -0.113 119.732 119.800 0.074 0.000 2.167 421 Q HA 0.040 4.380 4.340 0.000 0.000 0.202 421 Q C 1.804 177.790 176.000 -0.024 0.000 0.970 421 Q CA 1.244 57.077 55.803 0.050 0.000 0.855 421 Q CB -0.549 28.259 28.738 0.117 0.000 0.911 421 Q HN 0.484 nan 8.270 nan 0.000 0.438 422 F N -1.043 118.791 119.950 -0.194 0.000 2.075 422 F HA -0.202 4.325 4.527 0.001 0.000 0.297 422 F C 2.180 177.824 175.800 -0.261 0.000 1.113 422 F CA 1.155 58.946 58.000 -0.349 0.000 1.218 422 F CB -0.688 38.183 39.000 -0.214 0.000 0.984 422 F HN -0.079 nan 8.300 nan 0.000 0.472 423 V N -0.173 119.780 119.914 0.064 0.000 2.295 423 V HA -0.296 3.824 4.120 0.000 0.000 0.246 423 V C 2.206 178.311 176.094 0.019 0.000 1.049 423 V CA 2.121 64.445 62.300 0.040 0.000 1.024 423 V CB -0.635 31.175 31.823 -0.022 0.000 0.648 423 V HN 0.320 nan 8.190 nan 0.000 0.447 424 E N 0.007 120.201 120.200 -0.010 0.000 2.058 424 E HA -0.190 4.160 4.350 0.000 0.000 0.194 424 E C 2.426 179.011 176.600 -0.025 0.000 0.997 424 E CA 1.713 58.112 56.400 -0.001 0.000 0.801 424 E CB -0.205 29.492 29.700 -0.004 0.000 0.746 424 E HN 0.535 nan 8.360 nan 0.000 0.450 425 S N 0.326 115.946 115.700 -0.133 0.000 2.355 425 S HA -0.083 4.387 4.470 0.000 0.000 0.222 425 S C 1.584 176.165 174.600 -0.033 0.000 1.031 425 S CA 0.806 58.892 58.200 -0.190 0.000 0.993 425 S CB -0.189 62.739 63.200 -0.455 0.000 0.859 425 S HN 0.172 nan 8.310 nan 0.000 0.453 426 F N 2.194 122.148 119.950 0.006 0.000 2.502 426 F HA 0.038 4.566 4.527 0.000 0.000 0.298 426 F C 2.536 178.393 175.800 0.095 0.000 1.111 426 F CA 0.351 58.402 58.000 0.085 0.000 1.445 426 F CB -1.555 37.554 39.000 0.181 0.000 1.081 426 F HN 0.144 nan 8.300 nan 0.000 0.558 427 T N -0.576 114.111 114.554 0.222 0.000 2.904 427 T HA -0.089 4.261 4.350 0.000 0.000 0.267 427 T C 2.154 176.931 174.700 0.127 0.000 1.059 427 T CA 0.956 63.138 62.100 0.138 0.000 1.137 427 T CB -0.033 68.876 68.868 0.069 0.000 0.879 427 T HN 0.214 nan 8.240 nan 0.000 0.467 428 R N 0.736 121.304 120.500 0.113 0.000 2.127 428 R HA 0.139 4.479 4.340 0.000 0.000 0.217 428 R C 1.423 177.773 176.300 0.083 0.000 1.074 428 R CA 0.305 56.455 56.100 0.084 0.000 0.991 428 R CB 0.021 30.350 30.300 0.049 0.000 0.895 428 R HN 0.399 nan 8.270 nan 0.000 0.450 429 Q N 1.678 121.546 119.800 0.114 0.000 2.296 429 Q HA 0.106 4.446 4.340 0.000 0.000 0.262 429 Q C -0.716 175.342 176.000 0.097 0.000 0.981 429 Q CA -0.265 55.595 55.803 0.095 0.000 0.905 429 Q CB 0.814 29.627 28.738 0.124 0.000 1.186 429 Q HN 0.023 nan 8.270 nan 0.000 0.399 430 I N 3.418 124.041 120.570 0.088 0.000 2.634 430 I HA 0.252 4.423 4.170 0.000 0.000 0.284 430 I C -0.458 175.762 176.117 0.172 0.000 1.124 430 I CA 0.421 61.794 61.300 0.122 0.000 1.417 430 I CB 0.903 38.989 38.000 0.144 0.000 1.396 430 I HN 0.738 nan 8.210 nan 0.000 0.571 431 A N 5.263 128.173 122.820 0.151 0.000 2.256 431 A HA 0.785 5.105 4.320 0.000 0.000 0.318 431 A C 0.191 177.893 177.584 0.196 0.000 1.103 431 A CA -0.150 51.995 52.037 0.179 0.000 0.860 431 A CB 0.265 19.347 19.000 0.136 0.000 1.182 431 A HN 0.889 nan 8.150 nan 0.000 0.501 432 G N -0.355 108.572 108.800 0.212 0.000 2.476 432 G HA2 0.474 4.434 3.960 0.000 0.000 0.269 432 G HA3 0.474 4.434 3.960 0.000 0.000 0.269 432 G C 0.083 174.915 174.900 -0.113 0.000 1.195 432 G CA -0.606 44.492 45.100 -0.004 0.000 0.843 432 G HN 0.835 nan 8.290 nan 0.000 0.545 433 R N 1.160 121.522 120.500 -0.230 0.000 2.491 433 R HA 0.196 4.536 4.340 0.000 0.000 0.283 433 R C 0.916 177.123 176.300 -0.156 0.000 1.072 433 R CA -0.442 55.520 56.100 -0.232 0.000 1.048 433 R CB 0.849 31.003 30.300 -0.243 0.000 0.983 433 R HN 0.275 nan 8.270 nan 0.000 0.450 434 V N 3.718 123.524 119.914 -0.180 0.000 2.374 434 V HA 0.036 4.156 4.120 0.000 0.000 0.241 434 V C 1.045 177.117 176.094 -0.036 0.000 1.034 434 V CA 1.578 63.840 62.300 -0.062 0.000 1.037 434 V CB -0.408 31.393 31.823 -0.036 0.000 0.682 434 V HN 0.894 nan 8.190 nan 0.000 0.463 435 A N -0.589 122.202 122.820 -0.048 0.000 2.259 435 A HA 0.547 4.868 4.320 0.000 0.000 0.278 435 A C 1.456 178.992 177.584 -0.080 0.000 1.107 435 A CA 0.534 52.545 52.037 -0.043 0.000 0.828 435 A CB 0.069 19.061 19.000 -0.013 0.000 1.111 435 A HN 1.333 nan 8.150 nan 0.000 0.498 436 G N -1.688 107.068 108.800 -0.073 0.000 2.213 436 G HA2 0.355 4.315 3.960 0.000 0.000 0.236 436 G HA3 0.355 4.315 3.960 0.000 0.000 0.236 436 G C 1.612 176.470 174.900 -0.069 0.000 0.991 436 G CA 0.599 45.653 45.100 -0.078 0.000 0.629 436 G HN 3.066 nan 8.290 nan 0.000 0.517 437 G N -0.512 108.249 108.800 -0.064 0.000 2.758 437 G HA2 0.267 4.228 3.960 0.000 0.000 0.686 437 G HA3 0.267 4.228 3.960 0.000 0.000 0.686 437 G C 0.245 175.119 174.900 -0.043 0.000 1.389 437 G CA 0.368 45.436 45.100 -0.052 0.000 0.845 437 G HN 1.678 nan 8.290 nan 0.000 0.572 438 R N -0.847 119.636 120.500 -0.028 0.000 3.251 438 R HA -0.214 4.126 4.340 0.000 0.000 0.249 438 R C 0.544 176.839 176.300 -0.009 0.000 0.949 438 R CA 1.047 57.138 56.100 -0.014 0.000 0.645 438 R CB -1.184 29.105 30.300 -0.018 0.000 1.065 438 R HN 0.709 nan 8.270 nan 0.000 0.452 439 N N -0.788 117.915 118.700 0.005 0.000 2.142 439 N HA 0.084 4.825 4.740 0.000 0.000 0.233 439 N C -0.867 174.692 175.510 0.083 0.000 1.335 439 N CA 0.008 53.073 53.050 0.024 0.000 0.837 439 N CB 1.189 39.660 38.487 -0.028 0.000 1.238 439 N HN 0.061 nan 8.380 nan 0.000 0.501 440 V N 3.807 123.770 119.914 0.081 0.000 2.427 440 V HA 0.310 4.430 4.120 0.000 0.000 0.268 440 V C -1.942 174.198 176.094 0.078 0.000 1.046 440 V CA -1.239 61.128 62.300 0.112 0.000 0.970 440 V CB 0.840 32.729 31.823 0.111 0.000 1.001 440 V HN 0.121 nan 8.190 nan 0.000 0.476 441 P HA 0.113 nan 4.420 nan 0.000 0.268 441 P C 0.948 178.193 177.300 -0.092 0.000 1.205 441 P CA 0.043 63.144 63.100 0.001 0.000 0.771 441 P CB 1.214 32.909 31.700 -0.009 0.000 0.858 442 I N 2.436 122.951 120.570 -0.091 0.000 2.756 442 I HA -0.226 3.944 4.170 0.000 0.000 0.262 442 I C 2.026 178.049 176.117 -0.157 0.000 1.225 442 I CA 1.079 62.325 61.300 -0.089 0.000 1.472 442 I CB -0.100 37.872 38.000 -0.047 0.000 1.094 442 I HN 0.361 nan 8.210 nan 0.000 0.454 443 A N -0.001 122.629 122.820 -0.316 0.000 2.015 443 A HA -0.115 4.206 4.320 0.000 0.000 0.219 443 A C 1.733 179.124 177.584 -0.320 0.000 1.163 443 A CA 1.644 53.429 52.037 -0.420 0.000 0.646 443 A CB -0.573 17.847 19.000 -0.968 0.000 0.806 443 A HN 0.422 nan 8.150 nan 0.000 0.448 444 V N -1.682 118.061 119.914 -0.286 0.000 2.940 444 V HA 0.140 4.261 4.120 0.000 0.000 0.366 444 V C 1.341 177.369 176.094 -0.111 0.000 1.353 444 V CA 0.406 62.608 62.300 -0.164 0.000 1.232 444 V CB -0.837 30.899 31.823 -0.144 0.000 1.278 444 V HN 0.697 nan 8.190 nan 0.000 0.546 445 Q N 1.678 121.428 119.800 -0.083 0.000 2.170 445 Q HA -0.095 4.246 4.340 0.000 0.000 0.203 445 Q C 1.992 177.973 176.000 -0.031 0.000 0.976 445 Q CA 2.255 58.034 55.803 -0.039 0.000 0.858 445 Q CB -0.435 28.285 28.738 -0.030 0.000 0.907 445 Q HN 0.632 nan 8.270 nan 0.000 0.433 446 A N 0.999 123.794 122.820 -0.042 0.000 2.015 446 A HA -0.044 4.276 4.320 0.000 0.000 0.219 446 A C 2.280 179.834 177.584 -0.049 0.000 1.163 446 A CA 1.247 53.263 52.037 -0.036 0.000 0.646 446 A CB -0.480 18.503 19.000 -0.028 0.000 0.806 446 A HN 0.260 nan 8.150 nan 0.000 0.448 447 V N -0.292 119.575 119.914 -0.077 0.000 2.379 447 V HA -0.182 3.939 4.120 0.000 0.000 0.245 447 V C 2.989 179.038 176.094 -0.075 0.000 1.044 447 V CA 1.775 64.013 62.300 -0.103 0.000 1.036 447 V CB -1.208 30.462 31.823 -0.255 0.000 0.664 447 V HN 0.565 nan 8.190 nan 0.000 0.453 448 A N -0.435 122.370 122.820 -0.026 0.000 2.015 448 A HA -0.205 4.115 4.320 0.000 0.000 0.219 448 A C 2.344 179.963 177.584 0.059 0.000 1.163 448 A CA 1.893 53.991 52.037 0.101 0.000 0.646 448 A CB -0.409 18.699 19.000 0.180 0.000 0.806 448 A HN 0.498 nan 8.150 nan 0.000 0.448 449 K N -0.349 120.056 120.400 0.007 0.000 2.103 449 K HA 0.015 4.336 4.320 0.000 0.000 0.204 449 K C 2.138 178.703 176.600 -0.058 0.000 1.052 449 K CA 0.943 57.225 56.287 -0.007 0.000 0.945 449 K CB -0.245 32.249 32.500 -0.009 0.000 0.722 449 K HN 0.368 nan 8.250 nan 0.000 0.443 450 A N 0.550 123.321 122.820 -0.082 0.000 1.930 450 A HA -0.107 4.213 4.320 0.000 0.000 0.217 450 A C 2.121 179.578 177.584 -0.211 0.000 1.175 450 A CA 1.832 53.804 52.037 -0.108 0.000 0.627 450 A CB -0.519 18.437 19.000 -0.075 0.000 0.815 450 A HN 0.298 nan 8.150 nan 0.000 0.443 451 S N -0.279 115.211 115.700 -0.350 0.000 2.399 451 S HA -0.103 4.368 4.470 0.000 0.000 0.231 451 S C 1.748 175.993 174.600 -0.593 0.000 1.022 451 S CA 1.478 59.244 58.200 -0.724 0.000 0.983 451 S CB -0.441 61.907 63.200 -1.421 0.000 0.803 451 S HN 0.563 nan 8.310 nan 0.000 0.480 452 I N 1.310 121.703 120.570 -0.295 0.000 2.277 452 I HA -0.129 4.042 4.170 0.000 0.000 0.243 452 I C 1.972 178.015 176.117 -0.124 0.000 1.094 452 I CA 0.978 62.213 61.300 -0.109 0.000 1.393 452 I CB -0.350 37.677 38.000 0.046 0.000 1.078 452 I HN 0.132 nan 8.210 nan 0.000 0.417 453 D N 0.706 121.041 120.400 -0.109 0.000 2.117 453 D HA -0.197 4.443 4.640 0.000 0.000 0.197 453 D C 2.200 178.440 176.300 -0.100 0.000 0.987 453 D CA 1.328 55.281 54.000 -0.078 0.000 0.829 453 D CB -0.252 40.515 40.800 -0.055 0.000 0.961 453 D HN 0.433 nan 8.370 nan 0.000 0.460 454 Q N 0.087 119.796 119.800 -0.152 0.000 2.245 454 Q HA 0.016 4.356 4.340 0.000 0.000 0.201 454 Q C 2.214 178.071 176.000 -0.238 0.000 0.955 454 Q CA 0.553 56.266 55.803 -0.150 0.000 0.870 454 Q CB 0.165 28.818 28.738 -0.142 0.000 0.945 454 Q HN 0.059 nan 8.270 nan 0.000 0.461 455 S N 0.575 116.037 115.700 -0.398 0.000 2.382 455 S HA -0.108 4.363 4.470 0.000 0.000 0.228 455 S C 1.739 176.181 174.600 -0.264 0.000 1.027 455 S CA 1.021 58.818 58.200 -0.671 0.000 0.991 455 S CB -0.022 62.741 63.200 -0.728 0.000 0.823 455 S HN 0.320 nan 8.310 nan 0.000 0.469 456 R N 0.925 121.355 120.500 -0.117 0.000 2.090 456 R HA 0.036 4.376 4.340 0.000 0.000 0.228 456 R C 2.406 178.721 176.300 0.026 0.000 1.110 456 R CA 1.005 57.103 56.100 -0.002 0.000 0.973 456 R CB -0.204 30.098 30.300 0.003 0.000 0.869 456 R HN 0.455 nan 8.270 nan 0.000 0.440 457 E N 0.896 121.098 120.200 0.002 0.000 2.110 457 E HA -0.156 4.195 4.350 0.000 0.000 0.193 457 E C 1.581 178.218 176.600 0.062 0.000 0.988 457 E CA 1.051 57.470 56.400 0.031 0.000 0.804 457 E CB 0.122 29.834 29.700 0.021 0.000 0.745 457 E HN 0.282 nan 8.360 nan 0.000 0.458 458 M N 0.319 119.966 119.600 0.078 0.000 2.618 458 M HA 0.015 4.495 4.480 0.000 0.000 0.240 458 M C -0.278 176.148 176.300 0.210 0.000 1.123 458 M CA 0.320 55.710 55.300 0.151 0.000 1.060 458 M CB 0.468 33.216 32.600 0.247 0.000 1.535 458 M HN -0.161 nan 8.290 nan 0.000 0.507 459 K N -0.044 120.466 120.400 0.183 0.000 3.150 459 K HA -0.192 4.128 4.320 0.000 0.000 0.267 459 K C -1.246 175.498 176.600 0.239 0.000 1.028 459 K CA 0.663 57.049 56.287 0.166 0.000 0.753 459 K CB -2.633 29.923 32.500 0.093 0.000 1.288 459 K HN 0.302 nan 8.250 nan 0.000 0.473 460 Y N 1.193 121.540 120.300 0.079 0.000 2.597 460 Y HA -0.018 4.532 4.550 0.000 0.000 0.336 460 Y C 1.843 177.849 175.900 0.177 0.000 1.216 460 Y CA 0.265 58.462 58.100 0.161 0.000 1.463 460 Y CB 0.497 39.043 38.460 0.143 0.000 1.303 460 Y HN 0.176 nan 8.280 nan 0.000 0.576 461 Q N 1.038 121.015 119.800 0.295 0.000 2.471 461 Q HA 0.231 4.571 4.340 0.000 0.000 0.223 461 Q C 0.336 176.525 176.000 0.315 0.000 1.045 461 Q CA -0.387 55.510 55.803 0.157 0.000 0.956 461 Q CB 0.582 29.238 28.738 -0.137 0.000 1.249 461 Q HN 0.813 nan 8.270 nan 0.000 0.549 462 S N -0.045 115.765 115.700 0.184 0.000 2.596 462 S HA -0.009 4.461 4.470 0.000 0.000 0.260 462 S C 0.980 175.744 174.600 0.274 0.000 1.336 462 S CA -0.524 57.794 58.200 0.197 0.000 0.993 462 S CB 0.414 63.675 63.200 0.102 0.000 0.923 462 S HN 0.657 nan 8.310 nan 0.000 0.567 463 L N 1.280 122.619 121.223 0.194 0.000 1.990 463 L HA -0.143 4.197 4.340 0.000 0.000 0.213 463 L C 2.038 179.008 176.870 0.167 0.000 1.072 463 L CA 2.133 57.084 54.840 0.185 0.000 0.755 463 L CB -1.318 40.799 42.059 0.097 0.000 0.889 463 L HN 0.734 nan 8.230 nan 0.000 0.432 464 N N -0.237 118.514 118.700 0.085 0.000 2.223 464 N HA -0.156 4.584 4.740 0.000 0.000 0.185 464 N C 1.745 177.264 175.510 0.015 0.000 1.016 464 N CA 1.228 54.296 53.050 0.029 0.000 0.863 464 N CB -0.248 38.231 38.487 -0.012 0.000 0.983 464 N HN 0.509 nan 8.380 nan 0.000 0.429 465 E N -0.081 120.127 120.200 0.013 0.000 2.106 465 E HA -0.106 4.245 4.350 0.000 0.000 0.192 465 E C 1.612 178.155 176.600 -0.095 0.000 0.984 465 E CA 0.753 57.105 56.400 -0.080 0.000 0.806 465 E CB -0.319 29.292 29.700 -0.149 0.000 0.750 465 E HN 0.499 nan 8.360 nan 0.000 0.458 466 Y N 0.865 121.206 120.300 0.069 0.000 2.373 466 Y HA -0.033 4.518 4.550 0.000 0.000 0.293 466 Y C 2.503 178.512 175.900 0.182 0.000 1.129 466 Y CA 0.866 59.056 58.100 0.151 0.000 1.226 466 Y CB 0.008 38.564 38.460 0.159 0.000 1.000 466 Y HN -0.047 nan 8.280 nan 0.000 0.549 467 R N 0.172 120.800 120.500 0.213 0.000 2.066 467 R HA -0.137 4.203 4.340 0.000 0.000 0.232 467 R C 2.134 178.480 176.300 0.077 0.000 1.131 467 R CA 1.450 57.616 56.100 0.110 0.000 0.955 467 R CB -0.192 30.099 30.300 -0.014 0.000 0.851 467 R HN 0.264 nan 8.270 nan 0.000 0.432 468 K N 0.139 120.548 120.400 0.015 0.000 2.097 468 K HA -0.188 4.132 4.320 0.000 0.000 0.206 468 K C 2.120 178.696 176.600 -0.041 0.000 1.049 468 K CA 1.277 57.542 56.287 -0.036 0.000 0.933 468 K CB -0.127 32.324 32.500 -0.081 0.000 0.717 468 K HN -0.069 nan 8.250 nan 0.000 0.442 469 R N 0.776 121.259 120.500 -0.029 0.000 2.105 469 R HA -0.116 4.224 4.340 0.000 0.000 0.239 469 R C 0.742 176.891 176.300 -0.251 0.000 1.135 469 R CA 1.539 57.558 56.100 -0.134 0.000 0.967 469 R CB -0.297 29.938 30.300 -0.108 0.000 0.861 469 R HN 0.077 nan 8.270 nan 0.000 0.442 470 F N 0.618 120.553 119.950 -0.025 0.000 2.925 470 F HA 0.318 4.845 4.527 0.000 0.000 0.302 470 F C 0.258 176.044 175.800 -0.022 0.000 1.189 470 F CA -0.205 57.776 58.000 -0.032 0.000 1.346 470 F CB 0.329 39.309 39.000 -0.033 0.000 0.954 470 F HN -0.092 nan 8.300 nan 0.000 0.506 471 S N 0.793 116.532 115.700 0.066 0.000 3.682 471 S HA -0.181 4.289 4.470 0.000 0.000 0.354 471 S C -0.297 174.327 174.600 0.039 0.000 1.034 471 S CA 0.173 58.400 58.200 0.045 0.000 1.084 471 S CB -1.445 61.792 63.200 0.062 0.000 0.903 471 S HN 0.169 nan 8.310 nan 0.000 0.470 472 L N 0.979 122.215 121.223 0.022 0.000 2.342 472 L HA 0.544 4.885 4.340 0.000 0.000 0.271 472 L C 0.382 177.201 176.870 -0.084 0.000 1.008 472 L CA -0.482 54.339 54.840 -0.031 0.000 0.818 472 L CB 1.294 43.329 42.059 -0.040 0.000 1.296 472 L HN 0.169 nan 8.230 nan 0.000 0.427 473 K N 3.442 123.767 120.400 -0.124 0.000 2.379 473 K HA 0.264 4.585 4.320 0.000 0.000 0.284 473 K C -2.269 174.187 176.600 -0.241 0.000 1.044 473 K CA -1.352 54.847 56.287 -0.146 0.000 0.974 473 K CB 0.694 33.119 32.500 -0.125 0.000 0.962 473 K HN 0.280 nan 8.250 nan 0.000 0.474 474 P HA -0.037 nan 4.420 nan 0.000 0.268 474 P C -1.049 176.137 177.300 -0.190 0.000 1.205 474 P CA 0.155 63.147 63.100 -0.181 0.000 0.771 474 P CB 0.234 31.877 31.700 -0.095 0.000 0.858 475 Y N 0.480 120.732 120.300 -0.080 0.000 2.511 475 Y HA 0.020 4.570 4.550 0.000 0.000 0.332 475 Y C 2.167 177.989 175.900 -0.130 0.000 1.177 475 Y CA 0.352 58.388 58.100 -0.107 0.000 1.422 475 Y CB 0.285 38.660 38.460 -0.143 0.000 1.271 475 Y HN 0.419 nan 8.280 nan 0.000 0.550 476 T N -2.421 112.176 114.554 0.072 0.000 3.057 476 T HA 0.133 4.483 4.350 0.000 0.000 0.254 476 T C 0.359 175.035 174.700 -0.041 0.000 1.094 476 T CA 0.410 62.509 62.100 -0.001 0.000 1.088 476 T CB -0.022 68.852 68.868 0.010 0.000 0.934 476 T HN 0.509 nan 8.240 nan 0.000 0.497 477 S N -0.991 114.672 115.700 -0.061 0.000 2.625 477 S HA 0.612 5.082 4.470 0.000 0.000 0.271 477 S C -0.165 174.312 174.600 -0.206 0.000 1.161 477 S CA -0.963 57.178 58.200 -0.098 0.000 0.820 477 S CB 0.453 63.659 63.200 0.011 0.000 1.137 477 S HN -0.044 nan 8.310 nan 0.000 0.470 478 F N 0.959 120.875 119.950 -0.056 0.000 2.325 478 F HA 0.153 4.680 4.527 0.000 0.000 0.299 478 F C 2.500 178.222 175.800 -0.129 0.000 1.090 478 F CA 1.005 58.941 58.000 -0.107 0.000 1.392 478 F CB -0.207 38.751 39.000 -0.069 0.000 1.053 478 F HN 0.673 nan 8.300 nan 0.000 0.521 479 E N 0.123 120.370 120.200 0.079 0.000 2.106 479 E HA -0.235 4.116 4.350 0.000 0.000 0.192 479 E C 2.042 178.612 176.600 -0.050 0.000 0.984 479 E CA 1.081 57.489 56.400 0.014 0.000 0.806 479 E CB -0.194 29.523 29.700 0.027 0.000 0.750 479 E HN 0.503 nan 8.360 nan 0.000 0.458 480 E N 0.731 120.889 120.200 -0.070 0.000 2.106 480 E HA -0.191 4.159 4.350 0.000 0.000 0.192 480 E C 2.178 178.578 176.600 -0.332 0.000 0.984 480 E CA 0.469 56.822 56.400 -0.078 0.000 0.806 480 E CB 0.073 29.810 29.700 0.061 0.000 0.750 480 E HN 0.093 nan 8.360 nan 0.000 0.458 481 L N 0.745 121.590 121.223 -0.630 0.000 2.017 481 L HA -0.149 4.192 4.340 0.000 0.000 0.208 481 L C 2.478 179.077 176.870 -0.453 0.000 1.073 481 L CA 2.677 56.910 54.840 -1.011 0.000 0.745 481 L CB -0.861 40.737 42.059 -0.767 0.000 0.894 481 L HN 0.257 nan 8.230 nan 0.000 0.432 482 T N -4.041 110.374 114.554 -0.232 0.000 3.035 482 T HA 0.242 4.593 4.350 0.000 0.000 0.259 482 T C 1.583 176.227 174.700 -0.093 0.000 1.078 482 T CA 0.468 62.492 62.100 -0.127 0.000 1.132 482 T CB -0.474 68.355 68.868 -0.065 0.000 0.900 482 T HN 0.737 nan 8.240 nan 0.000 0.480 483 G N 1.295 110.045 108.800 -0.084 0.000 2.153 483 G HA2 -0.227 3.733 3.960 0.000 0.000 0.252 483 G HA3 -0.227 3.733 3.960 0.000 0.000 0.252 483 G C -0.172 174.707 174.900 -0.034 0.000 0.994 483 G CA 0.534 45.605 45.100 -0.048 0.000 0.698 483 G HN 0.932 nan 8.290 nan 0.000 0.521 484 E N -1.089 119.091 120.200 -0.033 0.000 2.449 484 E HA 0.501 4.851 4.350 0.000 0.000 0.278 484 E C 0.461 177.051 176.600 -0.016 0.000 0.992 484 E CA -0.735 55.650 56.400 -0.025 0.000 0.807 484 E CB 0.702 30.383 29.700 -0.032 0.000 1.350 484 E HN 0.080 nan 8.360 nan 0.000 0.462 485 K N 0.436 120.828 120.400 -0.014 0.000 2.329 485 K HA 0.097 4.418 4.320 0.000 0.000 0.198 485 K C 1.676 178.268 176.600 -0.014 0.000 1.085 485 K CA 0.232 56.514 56.287 -0.008 0.000 0.961 485 K CB 0.497 32.993 32.500 -0.007 0.000 0.971 485 K HN 0.454 nan 8.250 nan 0.000 0.502 486 E N 1.443 121.631 120.200 -0.019 0.000 2.015 486 E HA -0.103 4.248 4.350 0.000 0.000 0.191 486 E C 1.995 178.576 176.600 -0.031 0.000 0.991 486 E CA 1.087 57.473 56.400 -0.023 0.000 0.802 486 E CB 0.125 29.811 29.700 -0.022 0.000 0.759 486 E HN 0.143 nan 8.360 nan 0.000 0.447 487 M N 0.130 119.712 119.600 -0.030 0.000 2.229 487 M HA -0.084 4.396 4.480 0.000 0.000 0.264 487 M C 2.347 178.619 176.300 -0.046 0.000 1.063 487 M CA 1.156 56.435 55.300 -0.035 0.000 1.114 487 M CB -0.023 32.558 32.600 -0.031 0.000 1.387 487 M HN 0.197 nan 8.290 nan 0.000 0.420 488 A N 0.413 123.216 122.820 -0.028 0.000 1.933 488 A HA -0.029 4.291 4.320 0.000 0.000 0.218 488 A C 2.343 179.872 177.584 -0.091 0.000 1.175 488 A CA 1.814 53.846 52.037 -0.009 0.000 0.628 488 A CB -0.758 18.272 19.000 0.051 0.000 0.814 488 A HN 0.484 nan 8.150 nan 0.000 0.444 489 A N -0.429 122.351 122.820 -0.067 0.000 1.930 489 A HA -0.091 4.229 4.320 0.000 0.000 0.217 489 A C 1.918 179.432 177.584 -0.117 0.000 1.175 489 A CA 1.508 53.498 52.037 -0.080 0.000 0.627 489 A CB -0.337 18.637 19.000 -0.043 0.000 0.815 489 A HN 0.443 nan 8.150 nan 0.000 0.443 490 E N 0.117 120.255 120.200 -0.103 0.000 2.106 490 E HA -0.103 4.247 4.350 0.000 0.000 0.192 490 E C 1.990 178.504 176.600 -0.144 0.000 0.984 490 E CA 0.829 57.170 56.400 -0.098 0.000 0.806 490 E CB -0.368 29.295 29.700 -0.062 0.000 0.750 490 E HN 0.670 nan 8.360 nan 0.000 0.458 491 L N 0.606 121.696 121.223 -0.222 0.000 2.109 491 L HA -0.086 4.254 4.340 0.000 0.000 0.207 491 L C 2.613 179.059 176.870 -0.706 0.000 1.086 491 L CA 0.920 55.558 54.840 -0.337 0.000 0.760 491 L CB -0.220 41.616 42.059 -0.372 0.000 0.910 491 L HN 0.026 nan 8.230 nan 0.000 0.437 492 K N 0.311 120.219 120.400 -0.820 0.000 2.148 492 K HA -0.126 4.195 4.320 0.000 0.000 0.204 492 K C 2.083 178.543 176.600 -0.234 0.000 1.050 492 K CA 1.087 56.993 56.287 -0.634 0.000 0.942 492 K CB 0.013 32.346 32.500 -0.279 0.000 0.724 492 K HN 0.269 nan 8.250 nan 0.000 0.446 493 A N 0.743 123.456 122.820 -0.179 0.000 1.968 493 A HA -0.054 4.266 4.320 0.000 0.000 0.217 493 A C 1.934 179.459 177.584 -0.098 0.000 1.169 493 A CA 0.968 52.944 52.037 -0.101 0.000 0.638 493 A CB -0.261 18.689 19.000 -0.084 0.000 0.812 493 A HN 0.248 nan 8.150 nan 0.000 0.446 494 L N -2.829 118.318 121.223 -0.128 0.000 2.084 494 L HA -0.030 4.310 4.340 0.000 0.000 0.202 494 L C 2.364 179.112 176.870 -0.203 0.000 1.074 494 L CA 1.074 55.807 54.840 -0.179 0.000 0.757 494 L CB -0.457 41.466 42.059 -0.226 0.000 0.918 494 L HN 0.423 nan 8.230 nan 0.000 0.444 495 Y N -0.934 119.315 120.300 -0.085 0.000 2.490 495 Y HA -0.040 4.511 4.550 0.000 0.000 0.285 495 Y C 2.074 178.031 175.900 0.094 0.000 1.117 495 Y CA 0.593 58.722 58.100 0.047 0.000 1.262 495 Y CB 0.314 38.892 38.460 0.196 0.000 1.043 495 Y HN 0.132 nan 8.280 nan 0.000 0.553 496 S N -1.181 114.628 115.700 0.181 0.000 1.619 496 S HA -0.289 4.182 4.470 0.000 0.000 0.235 496 S C -0.001 174.773 174.600 0.290 0.000 0.805 496 S CA 1.798 60.099 58.200 0.168 0.000 1.403 496 S CB -1.215 62.052 63.200 0.111 0.000 1.782 496 S HN 0.544 nan 8.310 nan 0.000 0.524 497 D N -0.301 120.308 120.400 0.349 0.000 2.481 497 D HA 0.631 5.272 4.640 0.000 0.000 0.244 497 D C 0.522 176.966 176.300 0.241 0.000 1.057 497 D CA -0.526 53.637 54.000 0.272 0.000 0.848 497 D CB 1.321 42.211 40.800 0.150 0.000 1.388 497 D HN 0.075 nan 8.370 nan 0.000 0.475 498 I N 1.866 122.376 120.570 -0.101 0.000 2.546 498 I HA -0.085 4.086 4.170 0.000 0.000 0.255 498 I C 0.986 176.964 176.117 -0.232 0.000 1.163 498 I CA 1.229 62.191 61.300 -0.562 0.000 1.457 498 I CB 0.065 37.666 38.000 -0.666 0.000 1.092 498 I HN 0.350 nan 8.210 nan 0.000 0.434 499 D N -0.241 120.112 120.400 -0.078 0.000 2.363 499 D HA 0.023 4.663 4.640 0.000 0.000 0.226 499 D C 1.743 178.059 176.300 0.027 0.000 1.020 499 D CA 0.619 54.604 54.000 -0.026 0.000 0.892 499 D CB 0.370 41.163 40.800 -0.011 0.000 0.900 499 D HN 0.295 nan 8.370 nan 0.000 0.531 500 V N 0.261 120.217 119.914 0.071 0.000 3.528 500 V HA 0.118 4.238 4.120 0.000 0.000 0.294 500 V C 0.678 176.870 176.094 0.162 0.000 1.404 500 V CA -0.260 62.135 62.300 0.158 0.000 1.065 500 V CB 0.024 31.989 31.823 0.236 0.000 0.904 500 V HN 0.059 nan 8.190 nan 0.000 0.435 501 M N 1.796 121.376 119.600 -0.034 0.000 2.252 501 M HA 0.158 4.639 4.480 0.000 0.000 0.348 501 M C 0.262 176.503 176.300 -0.097 0.000 1.334 501 M CA 0.405 55.518 55.300 -0.311 0.000 1.071 501 M CB -0.219 32.199 32.600 -0.303 0.000 1.763 501 M HN 0.299 nan 8.290 nan 0.000 0.452 502 E N 3.378 123.528 120.200 -0.084 0.000 2.343 502 E HA 0.081 4.431 4.350 0.000 0.000 0.269 502 E C 0.609 177.252 176.600 0.072 0.000 1.047 502 E CA -0.471 55.988 56.400 0.100 0.000 0.874 502 E CB 0.985 30.803 29.700 0.197 0.000 1.033 502 E HN 0.781 nan 8.360 nan 0.000 0.409 503 L N 3.491 124.790 121.223 0.126 0.000 1.994 503 L HA -0.223 4.117 4.340 0.000 0.000 0.208 503 L C 2.089 179.001 176.870 0.070 0.000 1.071 503 L CA 1.850 56.746 54.840 0.094 0.000 0.745 503 L CB -0.618 41.477 42.059 0.061 0.000 0.892 503 L HN 0.710 nan 8.230 nan 0.000 0.431 504 Y N 1.500 121.777 120.300 -0.038 0.000 2.097 504 Y HA -0.117 4.433 4.550 0.000 0.000 0.282 504 Y C -0.642 175.254 175.900 -0.005 0.000 1.152 504 Y CA 2.079 60.149 58.100 -0.050 0.000 1.136 504 Y CB -1.839 36.545 38.460 -0.127 0.000 0.975 504 Y HN 0.269 nan 8.280 nan 0.000 0.498 505 P HA -0.143 nan 4.420 nan 0.000 0.218 505 P C 1.308 178.512 177.300 -0.160 0.000 1.149 505 P CA 2.205 65.184 63.100 -0.201 0.000 0.817 505 P CB -0.327 31.389 31.700 0.027 0.000 0.785 506 A N 0.115 122.876 122.820 -0.098 0.000 1.933 506 A HA -0.126 4.194 4.320 0.000 0.000 0.218 506 A C 2.372 179.909 177.584 -0.079 0.000 1.175 506 A CA 1.238 53.229 52.037 -0.076 0.000 0.628 506 A CB -1.601 17.377 19.000 -0.038 0.000 0.814 506 A HN 0.132 nan 8.150 nan 0.000 0.444 507 L N -0.718 120.447 121.223 -0.097 0.000 2.083 507 L HA -0.129 4.211 4.340 0.000 0.000 0.209 507 L C 2.256 179.067 176.870 -0.099 0.000 1.083 507 L CA 0.904 55.696 54.840 -0.080 0.000 0.752 507 L CB -0.344 41.677 42.059 -0.064 0.000 0.899 507 L HN 0.371 nan 8.230 nan 0.000 0.433 508 L N -0.821 120.295 121.223 -0.178 0.000 2.418 508 L HA -0.028 4.312 4.340 0.000 0.000 0.218 508 L C 2.068 178.880 176.870 -0.097 0.000 1.125 508 L CA 0.381 55.136 54.840 -0.143 0.000 0.835 508 L CB -0.165 41.759 42.059 -0.225 0.000 0.953 508 L HN 0.240 nan 8.230 nan 0.000 0.454 509 V N -4.336 115.520 119.914 -0.097 0.000 3.643 509 V HA 0.147 4.268 4.120 0.000 0.000 0.280 509 V C 0.986 177.031 176.094 -0.081 0.000 1.351 509 V CA -0.298 61.956 62.300 -0.076 0.000 1.073 509 V CB -0.115 31.671 31.823 -0.062 0.000 0.863 509 V HN 0.240 nan 8.190 nan 0.000 0.436 510 E N 2.362 122.513 120.200 -0.082 0.000 2.442 510 E HA 0.007 4.358 4.350 0.000 0.000 0.262 510 E C 0.254 176.809 176.600 -0.075 0.000 1.004 510 E CA -0.214 56.132 56.400 -0.091 0.000 0.928 510 E CB 0.477 30.155 29.700 -0.037 0.000 0.937 510 E HN 0.513 nan 8.360 nan 0.000 0.446 511 K N 5.217 125.564 120.400 -0.088 0.000 2.453 511 K HA 0.053 4.374 4.320 0.000 0.000 0.280 511 K C -2.286 174.289 176.600 -0.042 0.000 1.045 511 K CA -1.147 55.103 56.287 -0.062 0.000 1.059 511 K CB 0.329 32.797 32.500 -0.055 0.000 0.901 511 K HN 0.226 nan 8.250 nan 0.000 0.475 512 P HA 0.176 nan 4.420 nan 0.000 0.274 512 P C -0.849 176.413 177.300 -0.062 0.000 1.231 512 P CA -0.527 62.535 63.100 -0.064 0.000 0.790 512 P CB 0.642 32.286 31.700 -0.094 0.000 0.951 513 R N 2.474 122.921 120.500 -0.089 0.000 2.734 513 R HA 0.183 4.523 4.340 0.000 0.000 0.266 513 R C -1.936 174.346 176.300 -0.030 0.000 1.044 513 R CA -1.185 54.859 56.100 -0.092 0.000 1.128 513 R CB -1.415 28.730 30.300 -0.259 0.000 1.010 513 R HN 0.395 nan 8.270 nan 0.000 0.461 514 P HA -0.137 nan 4.420 nan 0.000 0.256 514 P C -0.906 176.393 177.300 -0.001 0.000 1.173 514 P CA 0.864 63.986 63.100 0.036 0.000 0.768 514 P CB 0.178 31.940 31.700 0.104 0.000 0.758 515 D N 0.230 120.604 120.400 -0.043 0.000 2.751 515 D HA -0.203 4.438 4.640 0.000 0.000 0.233 515 D C 0.142 176.369 176.300 -0.122 0.000 1.149 515 D CA 1.314 55.265 54.000 -0.081 0.000 0.682 515 D CB -0.860 39.898 40.800 -0.070 0.000 1.068 515 D HN 0.467 nan 8.370 nan 0.000 0.429 516 A N -0.195 122.544 122.820 -0.135 0.000 2.350 516 A HA 0.702 5.022 4.320 0.000 0.000 0.318 516 A C 1.023 178.427 177.584 -0.301 0.000 1.132 516 A CA -0.577 51.338 52.037 -0.204 0.000 0.811 516 A CB 1.515 20.439 19.000 -0.127 0.000 1.313 516 A HN 0.124 nan 8.150 nan 0.000 0.454 517 I N -0.924 119.347 120.570 -0.499 0.000 2.584 517 I HA 0.176 4.346 4.170 0.000 0.000 0.255 517 I C -0.665 175.034 176.117 -0.696 0.000 1.145 517 I CA 0.674 61.539 61.300 -0.725 0.000 1.462 517 I CB -0.057 37.276 38.000 -1.113 0.000 1.102 517 I HN 0.479 nan 8.210 nan 0.000 0.433 518 F N -0.246 119.553 119.950 -0.253 0.000 2.579 518 F HA 0.625 5.152 4.527 0.000 0.000 0.324 518 F C 0.854 176.553 175.800 -0.168 0.000 1.058 518 F CA -1.093 56.772 58.000 -0.226 0.000 0.944 518 F CB 0.555 39.412 39.000 -0.239 0.000 1.245 518 F HN -0.226 nan 8.300 nan 0.000 0.477 519 G N -0.304 108.550 108.800 0.091 0.000 2.525 519 G HA2 0.213 4.173 3.960 0.000 0.000 0.287 519 G HA3 0.213 4.173 3.960 0.000 0.000 0.287 519 G C 0.641 175.551 174.900 0.016 0.000 1.350 519 G CA -0.275 44.838 45.100 0.021 0.000 1.039 519 G HN 0.730 nan 8.290 nan 0.000 0.513 520 E N -1.229 118.983 120.200 0.021 0.000 2.051 520 E HA -0.151 4.199 4.350 0.000 0.000 0.192 520 E C 2.429 179.034 176.600 0.010 0.000 0.991 520 E CA 1.737 58.144 56.400 0.012 0.000 0.799 520 E CB -0.215 29.502 29.700 0.028 0.000 0.748 520 E HN 0.449 nan 8.360 nan 0.000 0.449 521 T N 1.091 115.662 114.554 0.028 0.000 2.746 521 T HA -0.215 4.135 4.350 0.000 0.000 0.267 521 T C 1.752 176.416 174.700 -0.060 0.000 1.039 521 T CA 1.625 63.724 62.100 -0.001 0.000 1.142 521 T CB -0.262 68.636 68.868 0.049 0.000 0.866 521 T HN 0.170 nan 8.240 nan 0.000 0.444 522 M N 1.276 120.830 119.600 -0.077 0.000 2.080 522 M HA -0.071 4.410 4.480 0.000 0.000 0.260 522 M C 2.125 178.323 176.300 -0.170 0.000 1.068 522 M CA 1.461 56.651 55.300 -0.183 0.000 1.109 522 M CB -0.642 31.722 32.600 -0.393 0.000 1.342 522 M HN 0.075 nan 8.290 nan 0.000 0.405 523 V N 0.245 120.105 119.914 -0.091 0.000 2.295 523 V HA -0.218 3.903 4.120 0.000 0.000 0.246 523 V C 2.347 178.433 176.094 -0.013 0.000 1.049 523 V CA 1.894 64.188 62.300 -0.009 0.000 1.024 523 V CB -0.968 30.901 31.823 0.076 0.000 0.648 523 V HN 0.435 nan 8.190 nan 0.000 0.447 524 E N -0.064 120.115 120.200 -0.034 0.000 2.274 524 E HA -0.022 4.328 4.350 0.000 0.000 0.194 524 E C 2.096 178.556 176.600 -0.233 0.000 0.996 524 E CA 0.767 57.140 56.400 -0.045 0.000 0.840 524 E CB -0.004 29.700 29.700 0.007 0.000 0.772 524 E HN 0.527 nan 8.360 nan 0.000 0.491 525 L N -0.825 120.169 121.223 -0.381 0.000 2.253 525 L HA 0.135 4.476 4.340 0.000 0.000 0.205 525 L C 2.371 179.011 176.870 -0.383 0.000 1.078 525 L CA 0.984 55.340 54.840 -0.807 0.000 0.805 525 L CB -0.719 40.990 42.059 -0.583 0.000 0.963 525 L HN 0.109 nan 8.230 nan 0.000 0.459 526 G N 0.169 108.929 108.800 -0.067 0.000 2.408 526 G HA2 -0.162 3.798 3.960 0.000 0.000 0.217 526 G HA3 -0.162 3.798 3.960 0.000 0.000 0.217 526 G C 1.790 176.765 174.900 0.125 0.000 1.150 526 G CA 0.827 46.031 45.100 0.174 0.000 0.776 526 G HN 0.398 nan 8.290 nan 0.000 0.542 527 A N 1.616 124.464 122.820 0.047 0.000 1.902 527 A HA 0.087 4.407 4.320 0.000 0.000 0.217 527 A C 0.751 178.348 177.584 0.021 0.000 1.181 527 A CA 1.883 53.965 52.037 0.076 0.000 0.623 527 A CB -1.110 17.946 19.000 0.093 0.000 0.818 527 A HN 0.367 nan 8.150 nan 0.000 0.443 528 P HA -0.135 nan 4.420 nan 0.000 0.215 528 P C 1.212 178.419 177.300 -0.155 0.000 1.157 528 P CA 1.125 64.167 63.100 -0.097 0.000 0.868 528 P CB -0.232 31.412 31.700 -0.094 0.000 0.788 529 F N -0.612 119.212 119.950 -0.211 0.000 2.134 529 F HA -0.181 4.346 4.527 0.000 0.000 0.299 529 F C 2.751 178.156 175.800 -0.659 0.000 1.097 529 F CA 1.346 58.988 58.000 -0.597 0.000 1.264 529 F CB -0.855 37.395 39.000 -1.250 0.000 1.001 529 F HN -0.034 nan 8.300 nan 0.000 0.479 530 S N 0.669 116.245 115.700 -0.206 0.000 2.345 530 S HA -0.132 4.338 4.470 0.000 0.000 0.220 530 S C 1.999 176.686 174.600 0.145 0.000 1.031 530 S CA 1.111 59.390 58.200 0.131 0.000 0.996 530 S CB -0.493 62.948 63.200 0.403 0.000 0.882 530 S HN 0.296 nan 8.310 nan 0.000 0.445 531 L N 0.924 122.224 121.223 0.128 0.000 2.141 531 L HA -0.023 4.317 4.340 0.000 0.000 0.209 531 L C 2.653 179.620 176.870 0.161 0.000 1.094 531 L CA 1.376 56.302 54.840 0.144 0.000 0.763 531 L CB -0.467 41.669 42.059 0.129 0.000 0.908 531 L HN 0.303 nan 8.230 nan 0.000 0.437 532 K N 0.906 121.387 120.400 0.135 0.000 2.097 532 K HA -0.090 4.231 4.320 0.000 0.000 0.205 532 K C 1.928 178.609 176.600 0.136 0.000 1.050 532 K CA 1.521 57.911 56.287 0.171 0.000 0.938 532 K CB -0.608 31.931 32.500 0.064 0.000 0.718 532 K HN 0.177 nan 8.250 nan 0.000 0.442 533 G N 0.083 108.910 108.800 0.045 0.000 2.484 533 G HA2 -0.100 3.861 3.960 0.000 0.000 0.218 533 G HA3 -0.100 3.861 3.960 0.000 0.000 0.218 533 G C 1.385 176.321 174.900 0.060 0.000 1.130 533 G CA 0.704 45.793 45.100 -0.019 0.000 0.784 533 G HN 0.274 nan 8.290 nan 0.000 0.543 534 L N -0.283 121.019 121.223 0.132 0.000 2.145 534 L HA 0.152 4.493 4.340 0.000 0.000 0.201 534 L C 2.720 179.704 176.870 0.190 0.000 1.075 534 L CA 0.420 55.352 54.840 0.153 0.000 0.773 534 L CB -0.171 41.976 42.059 0.146 0.000 0.936 534 L HN 0.076 nan 8.230 nan 0.000 0.451 535 M N -0.508 119.228 119.600 0.227 0.000 2.506 535 M HA 0.103 4.584 4.480 0.000 0.000 0.260 535 M C 2.177 178.769 176.300 0.486 0.000 1.104 535 M CA 0.863 56.307 55.300 0.239 0.000 1.112 535 M CB -1.381 31.197 32.600 -0.036 0.000 1.401 535 M HN 0.223 nan 8.290 nan 0.000 0.473 536 G N 0.699 109.790 108.800 0.485 0.000 2.534 536 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 536 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 536 G C 0.893 176.011 174.900 0.363 0.000 1.128 536 G CA -0.076 45.283 45.100 0.431 0.000 0.784 536 G HN 0.431 nan 8.290 nan 0.000 0.542 537 N N 1.188 120.058 118.700 0.283 0.000 2.356 537 N HA 0.003 4.743 4.740 0.000 0.000 0.252 537 N C -1.052 174.563 175.510 0.176 0.000 1.241 537 N CA -0.946 52.221 53.050 0.195 0.000 0.861 537 N CB 1.773 40.370 38.487 0.184 0.000 1.075 537 N HN -0.021 nan 8.380 nan 0.000 0.461 538 P HA -0.150 nan 4.420 nan 0.000 0.219 538 P C 1.496 178.606 177.300 -0.318 0.000 1.146 538 P CA 1.182 64.135 63.100 -0.245 0.000 0.808 538 P CB -0.147 31.255 31.700 -0.498 0.000 0.779 539 I N -3.115 117.436 120.570 -0.033 0.000 2.700 539 I HA -0.133 4.037 4.170 0.000 0.000 0.261 539 I C 1.618 178.053 176.117 0.531 0.000 1.219 539 I CA 1.399 62.919 61.300 0.367 0.000 1.463 539 I CB -1.218 37.159 38.000 0.628 0.000 1.092 539 I HN -0.154 nan 8.210 nan 0.000 0.452 540 C N 1.332 120.803 119.300 0.286 0.000 2.594 540 C HA 0.173 4.633 4.460 0.000 0.000 0.265 540 C C 1.808 176.831 174.990 0.056 0.000 1.351 540 C CA 0.207 59.325 59.018 0.168 0.000 1.744 540 C CB -1.697 26.173 27.740 0.215 0.000 1.890 540 C HN 0.710 nan 8.230 nan 0.000 0.551 541 S N 2.450 118.002 115.700 -0.247 0.000 2.585 541 S HA 0.171 4.641 4.470 0.000 0.000 0.273 541 S C -1.212 173.374 174.600 -0.023 0.000 1.339 541 S CA -0.597 57.230 58.200 -0.621 0.000 1.028 541 S CB 0.689 63.533 63.200 -0.593 0.000 0.906 541 S HN 0.182 nan 8.310 nan 0.000 0.528 542 P HA -0.153 nan 4.420 nan 0.000 0.216 542 P C 1.299 178.532 177.300 -0.110 0.000 1.150 542 P CA 1.238 64.052 63.100 -0.477 0.000 0.837 542 P CB 0.019 31.262 31.700 -0.761 0.000 0.786 543 Q N -1.603 118.177 119.800 -0.033 0.000 2.297 543 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 543 Q C 2.097 178.075 176.000 -0.036 0.000 0.962 543 Q CA 1.256 57.043 55.803 -0.028 0.000 0.879 543 Q CB -0.487 28.237 28.738 -0.024 0.000 0.947 543 Q HN 0.478 nan 8.270 nan 0.000 0.462 544 Y N -1.933 118.375 120.300 0.013 0.000 2.436 544 Y HA -0.014 4.537 4.550 0.001 0.000 0.288 544 Y C 1.126 177.114 175.900 0.148 0.000 1.112 544 Y CA -0.164 57.959 58.100 0.039 0.000 1.220 544 Y CB 0.337 38.860 38.460 0.105 0.000 1.073 544 Y HN 0.164 nan 8.280 nan 0.000 0.552 545 W N 5.006 126.471 121.300 0.274 0.000 1.836 545 W HA 0.228 4.888 4.660 0.001 0.000 0.449 545 W C -0.792 175.854 176.519 0.213 0.000 0.787 545 W CA 0.126 57.714 57.345 0.404 0.000 1.729 545 W CB -0.513 29.255 29.460 0.514 0.000 1.802 545 W HN 0.082 nan 8.180 nan 0.000 0.257 546 K N 3.064 123.291 120.400 -0.289 0.000 2.568 546 K HA 0.368 4.688 4.320 0.000 0.000 0.273 546 K C -2.652 173.470 176.600 -0.796 0.000 0.951 546 K CA -1.571 54.364 56.287 -0.586 0.000 0.854 546 K CB 1.468 33.798 32.500 -0.283 0.000 1.424 546 K HN -0.266 nan 8.250 nan 0.000 0.427 547 P HA -0.300 nan 4.420 nan 0.000 0.216 547 P C 1.367 178.542 177.300 -0.208 0.000 1.157 547 P CA 2.251 65.003 63.100 -0.580 0.000 0.880 547 P CB 0.027 31.519 31.700 -0.346 0.000 0.791 548 S N -1.798 113.780 115.700 -0.203 0.000 2.400 548 S HA -0.182 4.289 4.470 0.000 0.000 0.232 548 S C 1.846 176.352 174.600 -0.156 0.000 1.025 548 S CA 2.053 60.185 58.200 -0.112 0.000 0.993 548 S CB -2.041 61.091 63.200 -0.113 0.000 0.808 548 S HN 0.148 nan 8.310 nan 0.000 0.478 549 T N 1.339 115.681 114.554 -0.353 0.000 2.833 549 T HA 0.052 4.402 4.350 0.000 0.000 0.269 549 T C 0.599 174.979 174.700 -0.534 0.000 1.054 549 T CA 1.154 62.913 62.100 -0.569 0.000 1.135 549 T CB -0.478 67.839 68.868 -0.918 0.000 0.869 549 T HN 0.618 nan 8.240 nan 0.000 0.466 550 F N 0.434 120.427 119.950 0.070 0.000 2.750 550 F HA 0.494 5.021 4.527 0.000 0.000 0.297 550 F C 1.561 177.481 175.800 0.199 0.000 1.138 550 F CA -0.583 57.510 58.000 0.155 0.000 1.346 550 F CB 0.036 39.153 39.000 0.195 0.000 0.965 550 F HN 0.192 nan 8.300 nan 0.000 0.514 551 G N 0.280 109.274 108.800 0.323 0.000 2.143 551 G HA2 0.091 4.051 3.960 0.000 0.000 0.248 551 G HA3 0.091 4.051 3.960 0.000 0.000 0.248 551 G C 0.601 175.692 174.900 0.318 0.000 0.991 551 G CA 0.033 45.358 45.100 0.374 0.000 0.689 551 G HN 1.240 nan 8.290 nan 0.000 0.522 552 G N -1.402 107.522 108.800 0.206 0.000 2.466 552 G HA2 0.181 4.141 3.960 0.000 0.000 0.316 552 G HA3 0.181 4.141 3.960 0.000 0.000 0.316 552 G C 0.391 175.375 174.900 0.140 0.000 1.270 552 G CA 0.526 45.703 45.100 0.128 0.000 0.982 552 G HN 0.513 nan 8.290 nan 0.000 0.506 553 E N -0.556 119.705 120.200 0.102 0.000 2.150 553 E HA -0.056 4.294 4.350 0.000 0.000 0.193 553 E C 2.834 179.526 176.600 0.153 0.000 0.985 553 E CA 1.459 57.949 56.400 0.150 0.000 0.814 553 E CB -0.215 29.543 29.700 0.098 0.000 0.752 553 E HN 0.409 nan 8.360 nan 0.000 0.466 554 V N 0.830 120.802 119.914 0.096 0.000 2.358 554 V HA -0.166 3.954 4.120 0.000 0.000 0.246 554 V C 2.422 178.580 176.094 0.106 0.000 1.047 554 V CA 1.994 64.335 62.300 0.069 0.000 1.035 554 V CB -0.999 30.831 31.823 0.012 0.000 0.658 554 V HN 0.314 nan 8.190 nan 0.000 0.452 555 G N -1.105 107.794 108.800 0.164 0.000 2.408 555 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 555 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 555 G C 1.536 176.566 174.900 0.217 0.000 1.150 555 G CA 0.680 45.907 45.100 0.212 0.000 0.776 555 G HN 0.423 nan 8.290 nan 0.000 0.542 556 F N 1.433 121.414 119.950 0.053 0.000 2.171 556 F HA 0.068 4.595 4.527 0.000 0.000 0.300 556 F C 2.483 178.241 175.800 -0.071 0.000 1.090 556 F CA 1.449 59.411 58.000 -0.064 0.000 1.293 556 F CB -0.109 38.869 39.000 -0.036 0.000 1.013 556 F HN 0.130 nan 8.300 nan 0.000 0.486 557 K N 0.322 120.738 120.400 0.026 0.000 2.097 557 K HA -0.129 4.191 4.320 0.000 0.000 0.205 557 K C 2.162 178.736 176.600 -0.043 0.000 1.050 557 K CA 1.485 57.745 56.287 -0.045 0.000 0.938 557 K CB -0.239 32.271 32.500 0.017 0.000 0.718 557 K HN 0.303 nan 8.250 nan 0.000 0.442 558 I N 0.996 121.564 120.570 -0.004 0.000 2.208 558 I HA -0.329 3.842 4.170 0.000 0.000 0.245 558 I C 2.139 178.262 176.117 0.010 0.000 1.097 558 I CA 1.316 62.625 61.300 0.014 0.000 1.363 558 I CB -0.256 37.772 38.000 0.047 0.000 1.051 558 I HN 0.176 nan 8.210 nan 0.000 0.413 559 I N 0.666 121.212 120.570 -0.039 0.000 2.163 559 I HA -0.280 3.890 4.170 0.000 0.000 0.240 559 I C 2.039 178.188 176.117 0.053 0.000 1.081 559 I CA 1.391 62.696 61.300 0.007 0.000 1.353 559 I CB -0.527 37.420 38.000 -0.087 0.000 1.054 559 I HN 0.278 nan 8.210 nan 0.000 0.407 560 N N 0.275 118.926 118.700 -0.081 0.000 2.512 560 N HA -0.090 4.650 4.740 0.000 0.000 0.183 560 N C 1.473 176.986 175.510 0.006 0.000 1.073 560 N CA 1.713 54.734 53.050 -0.048 0.000 0.911 560 N CB -0.114 38.236 38.487 -0.229 0.000 0.964 560 N HN 0.503 nan 8.380 nan 0.000 0.447 561 T N -3.234 111.323 114.554 0.006 0.000 3.044 561 T HA 0.458 4.808 4.350 0.000 0.000 0.260 561 T C 0.625 175.342 174.700 0.028 0.000 1.019 561 T CA -0.515 61.595 62.100 0.016 0.000 0.921 561 T CB 0.351 69.221 68.868 0.003 0.000 1.053 561 T HN 0.084 nan 8.240 nan 0.000 0.533 562 A N 1.955 124.806 122.820 0.051 0.000 2.483 562 A HA 0.639 4.959 4.320 0.000 0.000 0.238 562 A C 0.614 178.225 177.584 0.046 0.000 1.070 562 A CA -0.059 52.011 52.037 0.057 0.000 0.770 562 A CB 0.026 19.087 19.000 0.102 0.000 1.008 562 A HN 1.086 nan 8.150 nan 0.000 0.497 563 S N 0.823 116.531 115.700 0.014 0.000 2.588 563 S HA 0.419 4.890 4.470 0.000 0.000 0.269 563 S C 0.332 174.891 174.600 -0.068 0.000 1.157 563 S CA -0.059 58.132 58.200 -0.017 0.000 0.824 563 S CB 0.488 63.666 63.200 -0.037 0.000 1.126 563 S HN 1.147 nan 8.310 nan 0.000 0.464 564 I N 1.195 121.685 120.570 -0.133 0.000 2.361 564 I HA -0.069 4.101 4.170 0.000 0.000 0.251 564 I C 2.421 178.387 176.117 -0.252 0.000 1.133 564 I CA 1.982 63.141 61.300 -0.235 0.000 1.413 564 I CB -0.458 37.208 38.000 -0.557 0.000 1.073 564 I HN 0.903 nan 8.210 nan 0.000 0.424 565 Q N 0.480 120.134 119.800 -0.243 0.000 2.079 565 Q HA -0.166 4.174 4.340 0.000 0.000 0.200 565 Q C 2.398 178.309 176.000 -0.148 0.000 0.974 565 Q CA 2.449 58.120 55.803 -0.220 0.000 0.840 565 Q CB -0.512 28.113 28.738 -0.189 0.000 0.898 565 Q HN 0.667 nan 8.270 nan 0.000 0.430 566 S N -0.386 115.247 115.700 -0.111 0.000 2.406 566 S HA -0.121 4.349 4.470 0.000 0.000 0.228 566 S C 1.885 176.418 174.600 -0.111 0.000 1.020 566 S CA 0.942 59.090 58.200 -0.086 0.000 0.965 566 S CB -0.601 62.567 63.200 -0.054 0.000 0.798 566 S HN 0.400 nan 8.310 nan 0.000 0.488 567 L N 0.994 122.130 121.223 -0.145 0.000 2.012 567 L HA 0.061 4.401 4.340 0.000 0.000 0.210 567 L C 2.167 178.907 176.870 -0.218 0.000 1.073 567 L CA 1.614 56.322 54.840 -0.220 0.000 0.748 567 L CB -0.627 41.248 42.059 -0.307 0.000 0.891 567 L HN 0.247 nan 8.230 nan 0.000 0.431 568 I N -1.284 119.172 120.570 -0.190 0.000 2.286 568 I HA -0.270 3.900 4.170 0.000 0.000 0.245 568 I C 2.713 178.747 176.117 -0.138 0.000 1.104 568 I CA 1.355 62.552 61.300 -0.173 0.000 1.397 568 I CB -0.737 37.161 38.000 -0.170 0.000 1.072 568 I HN 0.495 nan 8.210 nan 0.000 0.417 569 c N 1.042 119.572 118.600 -0.118 0.000 2.429 569 c HA -0.158 4.412 4.570 0.000 0.000 0.277 569 c C 2.698 176.739 174.090 -0.081 0.000 1.262 569 c CA 1.211 57.489 56.329 -0.085 0.000 1.733 569 c CB -1.282 41.188 42.510 -0.065 0.000 2.010 569 c HN 0.521 nan 8.230 nan 0.000 0.483 570 N N 1.051 119.696 118.700 -0.090 0.000 2.396 570 N HA -0.013 4.727 4.740 0.000 0.000 0.180 570 N C 1.037 176.488 175.510 -0.098 0.000 1.028 570 N CA 0.963 53.964 53.050 -0.082 0.000 0.893 570 N CB -0.419 38.023 38.487 -0.075 0.000 0.967 570 N HN 0.684 nan 8.380 nan 0.000 0.440 571 N N -0.381 118.244 118.700 -0.125 0.000 2.193 571 N HA 0.093 4.833 4.740 0.000 0.000 0.210 571 N C -0.520 174.898 175.510 -0.154 0.000 1.215 571 N CA 0.122 53.085 53.050 -0.145 0.000 0.901 571 N CB 1.916 40.298 38.487 -0.175 0.000 1.060 571 N HN -0.099 nan 8.380 nan 0.000 0.508 572 V N 1.846 121.678 119.914 -0.137 0.000 2.448 572 V HA 0.217 4.338 4.120 0.000 0.000 0.295 572 V C 0.404 176.442 176.094 -0.094 0.000 1.025 572 V CA -1.137 61.086 62.300 -0.128 0.000 0.859 572 V CB 2.507 34.254 31.823 -0.126 0.000 0.988 572 V HN -0.023 nan 8.190 nan 0.000 0.431 573 K N 2.830 123.178 120.400 -0.087 0.000 2.484 573 K HA 0.319 4.639 4.320 0.000 0.000 0.280 573 K C 1.202 177.777 176.600 -0.041 0.000 1.013 573 K CA 1.263 57.514 56.287 -0.061 0.000 1.029 573 K CB 0.148 32.616 32.500 -0.054 0.000 0.902 573 K HN 1.164 nan 8.250 nan 0.000 0.481 574 G N 2.880 111.661 108.800 -0.032 0.000 2.176 574 G HA2 -0.323 3.637 3.960 0.000 0.000 0.253 574 G HA3 -0.323 3.637 3.960 0.000 0.000 0.253 574 G C 0.336 175.227 174.900 -0.016 0.000 0.979 574 G CA -0.179 44.910 45.100 -0.019 0.000 0.641 574 G HN 1.131 nan 8.290 nan 0.000 0.530 575 c N 1.094 119.677 118.600 -0.029 0.000 3.112 575 c HA -0.065 4.506 4.570 0.000 0.000 0.265 575 c C -0.388 173.699 174.090 -0.005 0.000 1.283 575 c CA -0.083 56.230 56.329 -0.027 0.000 2.378 575 c CB -1.688 40.809 42.510 -0.021 0.000 1.500 575 c HN 0.774 nan 8.230 nan 0.000 0.483 576 P HA 0.275 nan 4.420 nan 0.000 0.275 576 P C -0.145 177.180 177.300 0.041 0.000 1.228 576 P CA -0.201 62.914 63.100 0.025 0.000 0.786 576 P CB 0.425 32.128 31.700 0.005 0.000 0.927 577 F N 1.883 121.807 119.950 -0.044 0.000 2.529 577 F HA 0.346 4.873 4.527 0.000 0.000 0.365 577 F C 0.353 176.120 175.800 -0.055 0.000 1.102 577 F CA 1.120 59.090 58.000 -0.050 0.000 1.271 577 F CB 0.541 39.516 39.000 -0.042 0.000 1.120 577 F HN 0.300 nan 8.300 nan 0.000 0.579 578 T N 3.874 117.811 114.554 -1.029 0.000 2.868 578 T HA 0.691 5.042 4.350 0.000 0.000 0.306 578 T C -1.250 172.824 174.700 -1.043 0.000 1.224 578 T CA -0.010 61.584 62.100 -0.843 0.000 1.012 578 T CB 1.014 69.637 68.868 -0.409 0.000 1.221 578 T HN 1.032 nan 8.240 nan 0.000 0.499 579 S N 1.238 116.524 115.700 -0.691 0.000 2.661 579 S HA 0.529 4.999 4.470 0.000 0.000 0.268 579 S C -0.284 174.056 174.600 -0.433 0.000 1.162 579 S CA -0.842 57.011 58.200 -0.578 0.000 0.817 579 S CB 0.428 63.406 63.200 -0.370 0.000 1.141 579 S HN 0.573 nan 8.310 nan 0.000 0.477 580 F N 0.981 120.814 119.950 -0.196 0.000 2.765 580 F HA 0.368 4.895 4.527 0.000 0.000 0.302 580 F C 1.255 176.720 175.800 -0.559 0.000 1.111 580 F CA -0.295 57.553 58.000 -0.254 0.000 1.359 580 F CB 0.306 39.186 39.000 -0.200 0.000 1.097 580 F HN 0.460 nan 8.300 nan 0.000 0.577 581 N N 0.391 118.938 118.700 -0.254 0.000 2.361 581 N HA 0.236 4.977 4.740 0.000 0.000 0.302 581 N C -0.916 174.584 175.510 -0.017 0.000 1.074 581 N CA -0.196 52.750 53.050 -0.173 0.000 0.850 581 N CB 2.119 40.572 38.487 -0.057 0.000 1.228 581 N HN -0.282 nan 8.380 nan 0.000 0.491 582 V N 2.793 122.715 119.914 0.013 0.000 2.521 582 V HA 0.049 4.169 4.120 0.000 0.000 0.286 582 V C 0.777 176.908 176.094 0.062 0.000 1.034 582 V CA -0.019 62.312 62.300 0.051 0.000 1.045 582 V CB 0.869 32.718 31.823 0.044 0.000 0.974 582 V HN 0.663 nan 8.190 nan 0.000 0.480 583 Q N 0.000 119.856 119.800 0.094 0.000 2.315 583 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 583 Q CA 0.000 55.849 55.803 0.076 0.000 1.022 583 Q CB 0.000 28.807 28.738 0.115 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481