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 6cox_1_B 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 TIWLREHQRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE KLILIGETIK 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 52.082 52.037 0.076 0.000 0.836 33 A CB 0.000 19.057 19.000 0.095 0.000 0.831 34 N N 2.810 121.554 118.700 0.074 0.000 2.374 34 N HA 0.082 4.822 4.740 -0.000 0.000 0.269 34 N C -1.176 174.355 175.510 0.035 0.000 1.310 34 N CA -0.528 52.560 53.050 0.063 0.000 0.877 34 N CB 1.002 39.520 38.487 0.050 0.000 1.096 34 N HN 0.290 nan 8.380 nan 0.000 0.484 35 P HA -0.113 nan 4.420 nan 0.000 0.218 35 P C 0.645 177.860 177.300 -0.141 0.000 1.146 35 P CA 0.991 64.102 63.100 0.018 0.000 0.813 35 P CB 0.058 31.845 31.700 0.145 0.000 0.778 36 c N -1.445 117.092 118.600 -0.105 0.000 2.626 36 c HA 0.098 4.668 4.570 -0.000 0.000 0.266 36 c C 2.858 176.857 174.090 -0.151 0.000 1.317 36 c CA -0.272 55.946 56.329 -0.186 0.000 1.716 36 c CB -2.313 40.150 42.510 -0.078 0.000 1.819 36 c HN 0.348 nan 8.230 nan 0.000 0.578 37 c N 1.244 119.784 118.600 -0.100 0.000 2.411 37 c HA -0.121 4.449 4.570 -0.000 0.000 0.279 37 c C 2.947 176.981 174.090 -0.092 0.000 1.288 37 c CA 2.102 58.388 56.329 -0.071 0.000 1.764 37 c CB -1.298 41.191 42.510 -0.035 0.000 1.974 37 c HN 0.789 nan 8.230 nan 0.000 0.498 38 S N 0.582 116.203 115.700 -0.131 0.000 2.660 38 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 38 S C 0.462 174.973 174.600 -0.147 0.000 0.966 38 S CA 0.390 58.513 58.200 -0.129 0.000 0.940 38 S CB -1.125 61.989 63.200 -0.143 0.000 0.773 38 S HN 0.757 nan 8.310 nan 0.000 0.535 39 N N 1.884 120.487 118.700 -0.162 0.000 2.686 39 N HA -0.101 4.639 4.740 -0.000 0.000 0.261 39 N C -2.032 173.385 175.510 -0.155 0.000 1.001 39 N CA 0.731 53.690 53.050 -0.153 0.000 0.764 39 N CB -0.533 37.879 38.487 -0.125 0.000 0.898 39 N HN 0.589 nan 8.380 nan 0.000 0.544 40 P HA 0.043 nan 4.420 nan 0.000 0.241 40 P C 0.029 177.305 177.300 -0.039 0.000 1.191 40 P CA 0.439 63.440 63.100 -0.165 0.000 0.771 40 P CB 0.131 31.598 31.700 -0.388 0.000 0.929 41 c N 2.629 121.208 118.600 -0.034 0.000 2.281 41 c HA 0.365 4.934 4.570 -0.000 0.000 0.336 41 c C 0.807 174.871 174.090 -0.045 0.000 1.217 41 c CA -0.670 55.668 56.329 0.016 0.000 1.730 41 c CB -0.636 41.906 42.510 0.052 0.000 2.338 41 c HN 0.256 nan 8.230 nan 0.000 0.521 42 Q N 1.799 121.560 119.800 -0.066 0.000 2.237 42 Q HA 0.242 4.582 4.340 -0.000 0.000 0.219 42 Q C 0.737 176.622 176.000 -0.192 0.000 0.999 42 Q CA -0.119 55.599 55.803 -0.142 0.000 0.959 42 Q CB 0.366 28.995 28.738 -0.182 0.000 1.173 42 Q HN 0.713 nan 8.270 nan 0.000 0.527 43 N N 0.791 119.323 118.700 -0.281 0.000 2.681 43 N HA -0.248 4.492 4.740 -0.000 0.000 0.250 43 N C -0.587 174.867 175.510 -0.093 0.000 1.133 43 N CA 1.237 54.101 53.050 -0.310 0.000 0.732 43 N CB -0.302 37.700 38.487 -0.808 0.000 1.107 43 N HN 0.613 nan 8.380 nan 0.000 0.559 44 R N -3.914 116.543 120.500 -0.072 0.000 3.704 44 R HA -0.094 4.245 4.340 -0.000 0.000 0.436 44 R C 0.815 177.125 176.300 0.016 0.000 1.048 44 R CA 0.889 56.974 56.100 -0.025 0.000 1.052 44 R CB -2.014 28.286 30.300 0.000 0.000 1.730 44 R HN 0.369 nan 8.270 nan 0.000 0.515 45 G N 0.752 109.563 108.800 0.020 0.000 2.667 45 G HA2 0.310 4.270 3.960 -0.000 0.000 0.250 45 G HA3 0.310 4.270 3.960 -0.000 0.000 0.250 45 G C -0.057 174.874 174.900 0.053 0.000 1.212 45 G CA -0.306 44.826 45.100 0.055 0.000 0.874 45 G HN 0.171 nan 8.290 nan 0.000 0.561 46 E N -1.464 118.783 120.200 0.078 0.000 2.212 46 E HA 0.432 4.782 4.350 -0.000 0.000 0.270 46 E C -1.046 175.615 176.600 0.102 0.000 0.956 46 E CA -0.577 55.878 56.400 0.092 0.000 0.825 46 E CB 2.192 31.967 29.700 0.126 0.000 1.167 46 E HN 0.398 nan 8.360 nan 0.000 0.400 47 c N 3.110 121.769 118.600 0.099 0.000 2.396 47 c HA 0.729 5.299 4.570 -0.000 0.000 0.321 47 c C -1.165 173.003 174.090 0.130 0.000 1.233 47 c CA -0.395 56.013 56.329 0.132 0.000 1.440 47 c CB 0.299 42.860 42.510 0.086 0.000 2.110 47 c HN 0.747 nan 8.230 nan 0.000 0.473 48 M N 4.449 124.139 119.600 0.149 0.000 2.501 48 M HA 0.520 5.000 4.480 -0.000 0.000 0.293 48 M C 0.179 176.553 176.300 0.124 0.000 1.192 48 M CA 0.021 55.391 55.300 0.116 0.000 0.886 48 M CB 2.380 35.028 32.600 0.081 0.000 1.710 48 M HN 0.801 nan 8.290 nan 0.000 0.457 49 S N 0.983 116.737 115.700 0.091 0.000 2.573 49 S HA 0.397 4.866 4.470 -0.000 0.000 0.277 49 S C 0.635 175.250 174.600 0.025 0.000 1.346 49 S CA 0.318 58.563 58.200 0.074 0.000 1.034 49 S CB 0.159 63.370 63.200 0.019 0.000 0.879 49 S HN 0.959 nan 8.310 nan 0.000 0.528 50 T N -3.271 111.291 114.554 0.013 0.000 3.262 50 T HA 0.551 4.901 4.350 -0.000 0.000 0.300 50 T C 0.567 175.241 174.700 -0.042 0.000 0.959 50 T CA 0.113 62.200 62.100 -0.021 0.000 0.936 50 T CB -0.062 68.797 68.868 -0.015 0.000 1.169 50 T HN 1.756 nan 8.240 nan 0.000 0.532 51 G N 0.272 109.031 108.800 -0.069 0.000 3.669 51 G HA2 0.340 4.300 3.960 -0.000 0.000 0.230 51 G HA3 0.340 4.300 3.960 -0.000 0.000 0.230 51 G C 0.085 175.029 174.900 0.074 0.000 2.671 51 G CA -0.072 44.980 45.100 -0.080 0.000 0.975 51 G HN 0.243 nan 8.290 nan 0.000 0.448 52 F N -0.340 119.637 119.950 0.045 0.000 2.545 52 F HA -0.204 4.323 4.527 -0.000 0.000 0.690 52 F C 0.937 176.769 175.800 0.052 0.000 0.488 52 F CA 2.068 60.094 58.000 0.044 0.000 0.791 52 F CB -0.887 38.134 39.000 0.035 0.000 1.653 52 F HN 0.351 nan 8.300 nan 0.000 0.266 53 D N 1.415 121.976 120.400 0.269 0.000 2.938 53 D HA 0.294 4.934 4.640 -0.000 0.000 0.369 53 D C -0.361 176.036 176.300 0.162 0.000 1.301 53 D CA 0.313 54.422 54.000 0.181 0.000 0.805 53 D CB 0.414 41.301 40.800 0.144 0.000 1.161 53 D HN 0.607 nan 8.370 nan 0.000 0.474 54 Q N -0.191 119.711 119.800 0.170 0.000 2.545 54 Q HA 0.460 4.800 4.340 -0.000 0.000 0.273 54 Q C -1.541 174.578 176.000 0.197 0.000 0.975 54 Q CA -1.123 54.775 55.803 0.157 0.000 0.876 54 Q CB 1.618 30.400 28.738 0.073 0.000 1.472 54 Q HN 0.086 nan 8.270 nan 0.000 0.389 55 Y N -0.620 119.692 120.300 0.021 0.000 2.805 55 Y HA 0.901 5.451 4.550 -0.000 0.000 0.323 55 Y C -1.673 174.236 175.900 0.015 0.000 1.279 55 Y CA -1.229 56.880 58.100 0.015 0.000 1.103 55 Y CB 1.856 40.326 38.460 0.016 0.000 1.324 55 Y HN 0.900 nan 8.280 nan 0.000 0.498 56 K N 0.402 120.788 120.400 -0.023 0.000 2.557 56 K HA 0.672 4.992 4.320 -0.000 0.000 0.257 56 K C -2.241 174.405 176.600 0.077 0.000 0.933 56 K CA -0.272 55.945 56.287 -0.116 0.000 0.820 56 K CB 1.760 34.223 32.500 -0.061 0.000 1.330 56 K HN 0.974 nan 8.250 nan 0.000 0.432 57 c N 1.961 120.595 118.600 0.057 0.000 2.358 57 c HA 0.466 5.036 4.570 -0.000 0.000 0.342 57 c C -0.607 173.530 174.090 0.078 0.000 1.234 57 c CA -0.481 55.917 56.329 0.114 0.000 1.969 57 c CB 0.824 43.416 42.510 0.137 0.000 2.346 57 c HN 0.816 nan 8.230 nan 0.000 0.525 58 D N 0.966 121.416 120.400 0.084 0.000 2.477 58 D HA 0.301 4.941 4.640 -0.000 0.000 0.239 58 D C 0.236 176.586 176.300 0.083 0.000 1.102 58 D CA -0.371 53.673 54.000 0.074 0.000 0.901 58 D CB 0.339 41.181 40.800 0.071 0.000 1.026 58 D HN 0.633 nan 8.370 nan 0.000 0.515 59 c N 2.602 121.259 118.600 0.095 0.000 2.509 59 c HA 0.134 4.704 4.570 -0.000 0.000 0.301 59 c C 0.823 174.979 174.090 0.111 0.000 1.317 59 c CA -0.441 55.961 56.329 0.122 0.000 1.667 59 c CB -2.056 40.554 42.510 0.166 0.000 1.717 59 c HN 0.487 nan 8.230 nan 0.000 0.595 60 T N 2.386 116.989 114.554 0.082 0.000 2.778 60 T HA 0.034 4.384 4.350 -0.000 0.000 0.282 60 T C 0.873 175.613 174.700 0.067 0.000 0.983 60 T CA 0.483 62.621 62.100 0.064 0.000 1.193 60 T CB -0.129 68.766 68.868 0.046 0.000 0.938 60 T HN 0.670 nan 8.240 nan 0.000 0.523 61 R N 0.406 120.943 120.500 0.061 0.000 3.641 61 R HA -0.224 4.115 4.340 -0.000 0.000 0.286 61 R C 1.471 177.821 176.300 0.083 0.000 1.153 61 R CA 0.973 57.106 56.100 0.056 0.000 0.775 61 R CB -2.685 27.639 30.300 0.039 0.000 1.215 61 R HN 0.922 nan 8.270 nan 0.000 0.474 62 T N -4.817 109.814 114.554 0.128 0.000 2.925 62 T HA 0.278 4.628 4.350 -0.000 0.000 0.245 62 T C 1.515 176.346 174.700 0.219 0.000 1.025 62 T CA 0.991 63.217 62.100 0.210 0.000 1.149 62 T CB 0.559 69.603 68.868 0.292 0.000 0.866 62 T HN 0.717 nan 8.240 nan 0.000 0.437 63 G N 0.562 109.445 108.800 0.139 0.000 2.198 63 G HA2 0.029 3.989 3.960 -0.000 0.000 0.156 63 G HA3 0.029 3.989 3.960 -0.000 0.000 0.156 63 G C -0.248 174.438 174.900 -0.357 0.000 1.012 63 G CA -0.550 44.481 45.100 -0.115 0.000 0.692 63 G HN 0.506 nan 8.290 nan 0.000 0.492 64 F N 0.189 120.204 119.950 0.108 0.000 2.576 64 F HA 0.780 5.307 4.527 -0.000 0.000 0.313 64 F C 0.375 176.262 175.800 0.146 0.000 1.078 64 F CA -1.275 56.761 58.000 0.060 0.000 0.921 64 F CB 1.414 40.404 39.000 -0.018 0.000 1.232 64 F HN 0.169 nan 8.300 nan 0.000 0.459 65 Y N -0.295 120.114 120.300 0.181 0.000 3.072 65 Y HA 0.932 5.482 4.550 -0.000 0.000 0.314 65 Y C 0.510 176.474 175.900 0.106 0.000 1.446 65 Y CA -2.257 55.909 58.100 0.111 0.000 1.055 65 Y CB -0.225 38.271 38.460 0.060 0.000 1.365 65 Y HN 0.962 nan 8.280 nan 0.000 0.657 66 G N 0.091 109.033 108.800 0.236 0.000 2.785 66 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.685 66 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.685 66 G C 0.511 175.453 174.900 0.070 0.000 1.480 66 G CA 0.226 45.388 45.100 0.104 0.000 0.915 66 G HN 1.178 nan 8.290 nan 0.000 0.576 67 E N 0.265 120.490 120.200 0.041 0.000 2.245 67 E HA -0.311 4.038 4.350 -0.000 0.000 0.217 67 E C 1.466 178.094 176.600 0.046 0.000 1.069 67 E CA 2.204 58.611 56.400 0.013 0.000 0.877 67 E CB -0.070 29.629 29.700 -0.001 0.000 0.757 67 E HN 0.488 nan 8.360 nan 0.000 0.464 68 N N -1.430 117.307 118.700 0.062 0.000 2.238 68 N HA 0.109 4.849 4.740 -0.000 0.000 0.235 68 N C -0.800 174.731 175.510 0.036 0.000 1.209 68 N CA 0.576 53.675 53.050 0.081 0.000 0.879 68 N CB 0.577 39.110 38.487 0.077 0.000 1.136 68 N HN 0.168 nan 8.380 nan 0.000 0.517 69 c N 0.731 119.362 118.600 0.052 0.000 4.300 69 c HA -0.126 4.443 4.570 -0.000 0.000 0.304 69 c C 1.865 175.942 174.090 -0.020 0.000 1.367 69 c CA 1.049 57.424 56.329 0.076 0.000 2.032 69 c CB -2.995 39.559 42.510 0.074 0.000 1.285 69 c HN 0.620 nan 8.230 nan 0.000 0.737 70 T N -3.713 110.833 114.554 -0.014 0.000 3.085 70 T HA 0.134 4.484 4.350 -0.000 0.000 0.241 70 T C 0.538 175.319 174.700 0.135 0.000 0.988 70 T CA 0.984 63.048 62.100 -0.060 0.000 1.117 70 T CB -0.140 68.690 68.868 -0.063 0.000 0.978 70 T HN 0.616 nan 8.240 nan 0.000 0.454 71 T N 4.583 119.112 114.554 -0.043 0.000 2.769 71 T HA 0.393 4.743 4.350 -0.000 0.000 0.293 71 T C -2.537 171.960 174.700 -0.337 0.000 0.931 71 T CA -1.282 60.689 62.100 -0.215 0.000 1.139 71 T CB 0.720 69.309 68.868 -0.465 0.000 0.881 71 T HN 0.287 nan 8.240 nan 0.000 0.532 72 P HA 0.282 nan 4.420 nan 0.000 0.279 72 P C -0.276 176.975 177.300 -0.083 0.000 1.252 72 P CA -0.621 62.246 63.100 -0.388 0.000 0.811 72 P CB 1.136 32.576 31.700 -0.433 0.000 1.035 73 E N 0.460 120.644 120.200 -0.026 0.000 2.373 73 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 73 E C 0.756 177.424 176.600 0.115 0.000 1.073 73 E CA -0.465 56.047 56.400 0.186 0.000 0.894 73 E CB 0.132 29.886 29.700 0.089 0.000 1.008 73 E HN 0.328 nan 8.360 nan 0.000 0.420 74 F N 1.943 121.896 119.950 0.004 0.000 2.032 74 F HA -0.296 4.231 4.527 -0.000 0.000 0.297 74 F C 1.919 177.693 175.800 -0.043 0.000 1.125 74 F CA 1.727 59.718 58.000 -0.015 0.000 1.202 74 F CB -0.565 38.430 39.000 -0.009 0.000 0.958 74 F HN 0.485 nan 8.300 nan 0.000 0.491 75 L N 0.080 121.272 121.223 -0.053 0.000 2.129 75 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 75 L C 2.221 178.978 176.870 -0.188 0.000 1.087 75 L CA 2.567 57.303 54.840 -0.172 0.000 0.757 75 L CB -1.298 40.715 42.059 -0.078 0.000 0.896 75 L HN 0.282 nan 8.230 nan 0.000 0.434 76 T N -0.876 113.570 114.554 -0.180 0.000 2.737 76 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 76 T C 1.974 176.570 174.700 -0.174 0.000 1.038 76 T CA 1.499 63.462 62.100 -0.229 0.000 1.144 76 T CB -0.204 68.384 68.868 -0.466 0.000 0.866 76 T HN 0.348 nan 8.240 nan 0.000 0.434 77 R N 0.416 120.818 120.500 -0.163 0.000 2.097 77 R HA -0.099 4.241 4.340 -0.000 0.000 0.236 77 R C 2.434 178.635 176.300 -0.165 0.000 1.135 77 R CA 1.517 57.546 56.100 -0.118 0.000 0.934 77 R CB -0.597 29.655 30.300 -0.079 0.000 0.846 77 R HN 0.278 nan 8.270 nan 0.000 0.431 78 I N 1.449 121.840 120.570 -0.298 0.000 2.145 78 I HA -0.325 3.845 4.170 -0.000 0.000 0.244 78 I C 2.024 178.045 176.117 -0.160 0.000 1.075 78 I CA 1.717 62.845 61.300 -0.287 0.000 1.332 78 I CB -0.982 36.785 38.000 -0.388 0.000 1.033 78 I HN 0.168 nan 8.210 nan 0.000 0.410 79 K N 0.386 120.706 120.400 -0.134 0.000 2.167 79 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 79 K C 2.263 178.838 176.600 -0.041 0.000 1.052 79 K CA 0.577 56.816 56.287 -0.081 0.000 0.956 79 K CB -0.536 31.917 32.500 -0.079 0.000 0.735 79 K HN 0.326 nan 8.250 nan 0.000 0.451 80 L N 1.028 122.231 121.223 -0.033 0.000 2.012 80 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 80 L C 1.026 177.902 176.870 0.010 0.000 1.073 80 L CA 0.813 55.662 54.840 0.014 0.000 0.748 80 L CB -0.593 41.492 42.059 0.043 0.000 0.891 80 L HN 0.114 nan 8.230 nan 0.000 0.431 81 L N -1.688 119.527 121.223 -0.012 0.000 2.423 81 L HA 0.288 4.628 4.340 -0.000 0.000 0.249 81 L C 0.230 177.089 176.870 -0.019 0.000 1.276 81 L CA 0.770 55.605 54.840 -0.009 0.000 1.199 81 L CB 0.430 42.480 42.059 -0.014 0.000 1.407 81 L HN 0.109 nan 8.230 nan 0.000 0.410 82 L N -0.462 120.757 121.223 -0.007 0.000 2.899 82 L HA 0.131 4.471 4.340 -0.000 0.000 0.329 82 L C 0.656 177.531 176.870 0.007 0.000 1.061 82 L CA -0.198 54.635 54.840 -0.012 0.000 1.569 82 L CB 0.157 42.198 42.059 -0.031 0.000 2.617 82 L HN 0.494 nan 8.230 nan 0.000 0.549 83 K N 4.096 124.510 120.400 0.023 0.000 2.361 83 K HA 0.173 4.493 4.320 -0.000 0.000 0.283 83 K C -2.142 174.495 176.600 0.062 0.000 1.078 83 K CA -1.123 55.195 56.287 0.052 0.000 1.041 83 K CB 0.418 32.959 32.500 0.068 0.000 0.932 83 K HN 0.074 nan 8.250 nan 0.000 0.462 84 P HA 0.035 nan 4.420 nan 0.000 0.278 84 P C -0.542 176.821 177.300 0.104 0.000 1.238 84 P CA -0.483 62.662 63.100 0.075 0.000 0.794 84 P CB 1.081 32.823 31.700 0.070 0.000 0.955 85 T N -0.725 113.890 114.554 0.101 0.000 2.898 85 T HA 0.159 4.509 4.350 -0.000 0.000 0.301 85 T C -1.318 173.471 174.700 0.148 0.000 1.049 85 T CA -1.373 60.796 62.100 0.114 0.000 1.095 85 T CB 0.027 68.953 68.868 0.097 0.000 0.976 85 T HN 0.285 nan 8.240 nan 0.000 0.539 86 P HA -0.141 nan 4.420 nan 0.000 0.217 86 P C 0.958 178.394 177.300 0.227 0.000 1.148 86 P CA 1.210 64.422 63.100 0.188 0.000 0.828 86 P CB 0.070 31.863 31.700 0.155 0.000 0.783 87 N N -0.160 118.655 118.700 0.191 0.000 2.220 87 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 87 N C 1.648 177.314 175.510 0.259 0.000 1.023 87 N CA 1.857 55.040 53.050 0.222 0.000 0.856 87 N CB -1.321 37.259 38.487 0.155 0.000 0.997 87 N HN 0.259 nan 8.380 nan 0.000 0.429 88 T N -1.290 113.376 114.554 0.186 0.000 3.400 88 T HA 0.172 4.521 4.350 -0.000 0.000 0.254 88 T C 1.391 176.215 174.700 0.206 0.000 1.153 88 T CA 0.185 62.383 62.100 0.163 0.000 1.012 88 T CB -0.227 68.694 68.868 0.088 0.000 0.994 88 T HN -0.089 nan 8.240 nan 0.000 0.555 89 V N -0.863 119.206 119.914 0.258 0.000 3.165 89 V HA 0.125 4.245 4.120 -0.000 0.000 0.231 89 V C 2.275 178.532 176.094 0.271 0.000 1.365 89 V CA 0.102 62.544 62.300 0.237 0.000 1.286 89 V CB -0.192 31.753 31.823 0.205 0.000 1.081 89 V HN 0.534 nan 8.190 nan 0.000 0.477 90 H N -0.450 118.759 119.070 0.232 0.000 2.422 90 H HA -0.242 4.314 4.556 -0.000 0.000 0.298 90 H C 2.153 177.666 175.328 0.309 0.000 1.098 90 H CA 2.478 58.673 56.048 0.246 0.000 1.315 90 H CB 0.120 30.044 29.762 0.270 0.000 1.382 90 H HN 0.536 nan 8.280 nan 0.000 0.523 91 Y N 1.265 121.769 120.300 0.341 0.000 2.049 91 Y HA -0.247 4.303 4.550 -0.000 0.000 0.277 91 Y C 2.693 178.952 175.900 0.599 0.000 1.143 91 Y CA 2.114 60.493 58.100 0.465 0.000 1.115 91 Y CB -0.698 37.935 38.460 0.289 0.000 0.975 91 Y HN 0.085 nan 8.280 nan 0.000 0.487 92 I N -0.344 120.600 120.570 0.622 0.000 2.145 92 I HA -0.393 3.777 4.170 -0.000 0.000 0.244 92 I C 2.280 178.723 176.117 0.545 0.000 1.075 92 I CA 1.171 62.826 61.300 0.591 0.000 1.332 92 I CB -0.659 37.517 38.000 0.294 0.000 1.033 92 I HN 0.312 nan 8.210 nan 0.000 0.410 93 L N 0.604 121.885 121.223 0.098 0.000 2.046 93 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 93 L C 2.895 179.591 176.870 -0.290 0.000 1.077 93 L CA 2.738 57.337 54.840 -0.403 0.000 0.747 93 L CB -1.861 39.580 42.059 -1.029 0.000 0.896 93 L HN 0.484 nan 8.230 nan 0.000 0.432 94 T N -4.515 109.927 114.554 -0.187 0.000 2.985 94 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 94 T C 1.237 175.873 174.700 -0.106 0.000 1.076 94 T CA 0.225 62.159 62.100 -0.277 0.000 1.135 94 T CB -0.180 68.438 68.868 -0.416 0.000 0.890 94 T HN 0.243 nan 8.240 nan 0.000 0.480 95 H N 0.637 119.829 119.070 0.203 0.000 2.560 95 H HA 0.296 4.852 4.556 -0.000 0.000 0.266 95 H C 0.534 176.199 175.328 0.561 0.000 1.585 95 H CA -0.584 55.536 56.048 0.120 0.000 1.570 95 H CB -0.224 29.137 29.762 -0.668 0.000 1.687 95 H HN 0.226 nan 8.280 nan 0.000 0.837 96 F N -0.100 119.986 119.950 0.227 0.000 2.926 96 F HA -0.263 4.264 4.527 -0.000 0.000 0.236 96 F C 1.813 177.605 175.800 -0.012 0.000 1.013 96 F CA 0.824 58.856 58.000 0.054 0.000 0.826 96 F CB -1.717 37.238 39.000 -0.075 0.000 0.695 96 F HN 0.478 nan 8.300 nan 0.000 0.810 97 K N 0.958 121.349 120.400 -0.015 0.000 2.207 97 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 97 K C 2.254 178.805 176.600 -0.082 0.000 1.046 97 K CA 1.766 57.829 56.287 -0.374 0.000 0.929 97 K CB -0.641 31.447 32.500 -0.687 0.000 0.720 97 K HN 0.608 nan 8.250 nan 0.000 0.463 98 G N 0.568 109.346 108.800 -0.037 0.000 2.433 98 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.216 98 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.216 98 G C 1.535 176.414 174.900 -0.035 0.000 1.186 98 G CA 0.885 45.972 45.100 -0.022 0.000 0.779 98 G HN 0.200 nan 8.290 nan 0.000 0.543 99 V N -0.061 119.798 119.914 -0.092 0.000 2.282 99 V HA -0.230 3.889 4.120 -0.000 0.000 0.249 99 V C 2.485 178.429 176.094 -0.250 0.000 1.057 99 V CA 2.024 64.180 62.300 -0.242 0.000 1.032 99 V CB -0.767 30.789 31.823 -0.444 0.000 0.645 99 V HN 0.615 nan 8.190 nan 0.000 0.447 100 W N -0.038 121.283 121.300 0.035 0.000 2.350 100 W HA -0.158 4.502 4.660 -0.000 0.000 0.289 100 W C 2.130 178.682 176.519 0.054 0.000 1.215 100 W CA 1.221 58.612 57.345 0.077 0.000 1.236 100 W CB -0.455 29.077 29.460 0.120 0.000 1.130 100 W HN 0.218 nan 8.180 nan 0.000 0.541 101 N N -0.010 118.800 118.700 0.183 0.000 2.421 101 N HA -0.024 4.716 4.740 -0.000 0.000 0.201 101 N C 1.045 176.589 175.510 0.057 0.000 1.198 101 N CA 0.261 53.375 53.050 0.108 0.000 0.838 101 N CB 0.015 38.536 38.487 0.056 0.000 1.011 101 N HN -0.017 nan 8.380 nan 0.000 0.463 102 I N -1.627 118.971 120.570 0.047 0.000 3.518 102 I HA 0.010 4.180 4.170 -0.000 0.000 0.260 102 I C 1.972 178.097 176.117 0.015 0.000 1.148 102 I CA 0.468 61.768 61.300 0.000 0.000 1.440 102 I CB -0.989 36.985 38.000 -0.042 0.000 1.485 102 I HN -0.109 nan 8.210 nan 0.000 0.456 103 V N 2.026 121.967 119.914 0.046 0.000 2.252 103 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 103 V C 1.404 177.601 176.094 0.171 0.000 1.056 103 V CA 1.907 64.272 62.300 0.109 0.000 1.022 103 V CB -1.016 30.939 31.823 0.220 0.000 0.641 103 V HN 0.404 nan 8.190 nan 0.000 0.445 104 N N 0.296 119.141 118.700 0.241 0.000 2.799 104 N HA -0.027 4.713 4.740 -0.000 0.000 0.205 104 N C 0.158 175.699 175.510 0.052 0.000 1.640 104 N CA 0.261 53.408 53.050 0.162 0.000 0.942 104 N CB -1.239 37.333 38.487 0.143 0.000 1.262 104 N HN 0.496 nan 8.380 nan 0.000 0.485 105 I N -0.130 120.303 120.570 -0.228 0.000 2.753 105 I HA -0.298 3.872 4.170 -0.000 0.000 0.126 105 I C -1.225 174.575 176.117 -0.527 0.000 0.885 105 I CA -0.564 60.394 61.300 -0.570 0.000 2.786 105 I CB -0.113 37.641 38.000 -0.410 0.000 0.574 105 I HN 0.142 nan 8.210 nan 0.000 0.352 106 P HA -0.232 nan 4.420 nan 0.000 0.218 106 P C 1.323 178.673 177.300 0.083 0.000 1.150 106 P CA 1.750 64.787 63.100 -0.105 0.000 0.841 106 P CB 0.049 31.776 31.700 0.044 0.000 0.784 107 F N -1.396 118.598 119.950 0.073 0.000 2.075 107 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 107 F C 2.411 178.257 175.800 0.077 0.000 1.113 107 F CA 0.446 58.485 58.000 0.065 0.000 1.218 107 F CB -1.991 37.038 39.000 0.049 0.000 0.984 107 F HN -0.155 nan 8.300 nan 0.000 0.472 108 L N -0.311 120.982 121.223 0.117 0.000 2.056 108 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 108 L C 2.875 179.833 176.870 0.146 0.000 1.078 108 L CA 1.188 56.085 54.840 0.096 0.000 0.749 108 L CB -0.318 41.758 42.059 0.027 0.000 0.901 108 L HN 0.130 nan 8.230 nan 0.000 0.433 109 R N -0.042 120.568 120.500 0.184 0.000 2.088 109 R HA -0.215 4.125 4.340 -0.000 0.000 0.232 109 R C 2.521 179.039 176.300 0.363 0.000 1.136 109 R CA 2.307 58.629 56.100 0.370 0.000 0.926 109 R CB -0.393 30.057 30.300 0.250 0.000 0.837 109 R HN 0.475 nan 8.270 nan 0.000 0.429 110 S N 0.638 116.478 115.700 0.233 0.000 2.402 110 S HA -0.195 4.274 4.470 -0.000 0.000 0.233 110 S C 2.115 176.814 174.600 0.165 0.000 1.030 110 S CA 1.336 59.649 58.200 0.188 0.000 1.003 110 S CB -0.575 62.706 63.200 0.136 0.000 0.813 110 S HN 0.423 nan 8.310 nan 0.000 0.477 111 L N 0.449 121.763 121.223 0.151 0.000 2.093 111 L HA -0.032 4.307 4.340 -0.000 0.000 0.208 111 L C 2.412 179.331 176.870 0.081 0.000 1.085 111 L CA 1.079 55.985 54.840 0.109 0.000 0.755 111 L CB -0.297 41.819 42.059 0.096 0.000 0.904 111 L HN 0.319 nan 8.230 nan 0.000 0.435 112 I N -0.975 119.618 120.570 0.039 0.000 2.202 112 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 112 I C 2.495 178.575 176.117 -0.062 0.000 1.091 112 I CA 1.406 62.602 61.300 -0.172 0.000 1.368 112 I CB -0.798 36.732 38.000 -0.783 0.000 1.058 112 I HN 0.381 nan 8.210 nan 0.000 0.410 113 M N 1.140 120.846 119.600 0.177 0.000 2.213 113 M HA -0.201 4.278 4.480 -0.000 0.000 0.263 113 M C 2.170 178.565 176.300 0.158 0.000 1.062 113 M CA 1.762 57.247 55.300 0.307 0.000 1.105 113 M CB -0.496 32.343 32.600 0.398 0.000 1.385 113 M HN 0.012 nan 8.290 nan 0.000 0.417 114 K N -1.361 119.113 120.400 0.123 0.000 2.057 114 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 114 K C 2.109 178.755 176.600 0.076 0.000 1.049 114 K CA 1.840 58.171 56.287 0.073 0.000 0.931 114 K CB -0.484 32.062 32.500 0.077 0.000 0.714 114 K HN 0.504 nan 8.250 nan 0.000 0.440 115 Y N 0.992 121.303 120.300 0.018 0.000 2.145 115 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 115 Y C 1.924 177.849 175.900 0.042 0.000 1.145 115 Y CA 1.674 59.786 58.100 0.019 0.000 1.148 115 Y CB -0.560 37.896 38.460 -0.006 0.000 0.981 115 Y HN -0.028 nan 8.280 nan 0.000 0.507 116 V N -0.289 119.546 119.914 -0.131 0.000 2.343 116 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 116 V C 2.125 178.144 176.094 -0.126 0.000 1.051 116 V CA 2.059 64.259 62.300 -0.167 0.000 1.036 116 V CB -0.978 30.910 31.823 0.108 0.000 0.654 116 V HN 0.434 nan 8.190 nan 0.000 0.451 117 L N 1.744 122.937 121.223 -0.050 0.000 2.046 117 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 117 L C 2.908 179.729 176.870 -0.083 0.000 1.077 117 L CA 2.859 57.671 54.840 -0.046 0.000 0.747 117 L CB -1.255 40.773 42.059 -0.051 0.000 0.896 117 L HN 0.791 nan 8.230 nan 0.000 0.432 118 T N -4.021 110.471 114.554 -0.104 0.000 2.735 118 T HA -0.129 4.221 4.350 -0.000 0.000 0.256 118 T C 2.124 176.796 174.700 -0.047 0.000 1.042 118 T CA 1.347 63.413 62.100 -0.057 0.000 1.147 118 T CB -0.929 67.931 68.868 -0.013 0.000 0.865 118 T HN 0.397 nan 8.240 nan 0.000 0.421 119 S N 2.760 118.342 115.700 -0.197 0.000 2.393 119 S HA -0.297 4.173 4.470 -0.000 0.000 0.234 119 S C 2.245 176.891 174.600 0.076 0.000 1.064 119 S CA 1.294 59.425 58.200 -0.115 0.000 1.088 119 S CB -0.778 62.121 63.200 -0.501 0.000 0.939 119 S HN 0.468 nan 8.310 nan 0.000 0.448 120 R N 1.264 121.747 120.500 -0.028 0.000 2.092 120 R HA 0.080 4.420 4.340 -0.000 0.000 0.231 120 R C 2.759 179.009 176.300 -0.084 0.000 1.119 120 R CA 1.187 57.260 56.100 -0.045 0.000 0.970 120 R CB -1.173 29.117 30.300 -0.016 0.000 0.864 120 R HN 0.514 nan 8.270 nan 0.000 0.440 121 S N 1.262 116.965 115.700 0.004 0.000 2.400 121 S HA -0.229 4.241 4.470 -0.000 0.000 0.234 121 S C 1.688 176.290 174.600 0.004 0.000 1.049 121 S CA 1.946 60.166 58.200 0.033 0.000 1.039 121 S CB -0.540 62.747 63.200 0.145 0.000 0.856 121 S HN 0.593 nan 8.310 nan 0.000 0.465 122 Y N 0.648 120.930 120.300 -0.030 0.000 2.651 122 Y HA 0.085 4.635 4.550 -0.000 0.000 0.296 122 Y C 1.353 177.195 175.900 -0.096 0.000 1.150 122 Y CA 0.406 58.478 58.100 -0.046 0.000 1.348 122 Y CB -0.276 38.170 38.460 -0.023 0.000 0.983 122 Y HN 0.117 nan 8.280 nan 0.000 0.555 123 L N 0.618 121.493 121.223 -0.581 0.000 2.529 123 L HA 0.231 4.571 4.340 -0.000 0.000 0.223 123 L C 0.011 176.583 176.870 -0.496 0.000 1.113 123 L CA 0.190 54.625 54.840 -0.676 0.000 0.861 123 L CB -0.691 40.941 42.059 -0.712 0.000 1.012 123 L HN 0.237 nan 8.230 nan 0.000 0.461 124 I N -0.712 119.663 120.570 -0.324 0.000 2.493 124 I HA 0.251 4.421 4.170 -0.000 0.000 0.298 124 I C -0.104 175.918 176.117 -0.159 0.000 0.998 124 I CA -0.589 60.553 61.300 -0.263 0.000 1.137 124 I CB 1.244 39.100 38.000 -0.240 0.000 1.310 124 I HN -0.175 nan 8.210 nan 0.000 0.445 125 D N 3.459 123.789 120.400 -0.116 0.000 2.277 125 D HA 0.441 5.081 4.640 -0.000 0.000 0.249 125 D C -0.636 175.618 176.300 -0.078 0.000 1.134 125 D CA 0.160 54.113 54.000 -0.079 0.000 0.863 125 D CB 1.303 42.072 40.800 -0.051 0.000 1.143 125 D HN 0.315 nan 8.370 nan 0.000 0.458 126 S N 1.932 117.582 115.700 -0.083 0.000 2.750 126 S HA 0.433 4.903 4.470 -0.000 0.000 0.276 126 S C -2.533 172.029 174.600 -0.064 0.000 1.165 126 S CA -1.052 57.094 58.200 -0.090 0.000 1.047 126 S CB 1.224 64.328 63.200 -0.159 0.000 1.056 126 S HN 0.168 nan 8.310 nan 0.000 0.481 127 P HA 0.336 nan 4.420 nan 0.000 0.274 127 P C -2.479 174.823 177.300 0.003 0.000 1.231 127 P CA -1.116 62.002 63.100 0.029 0.000 0.790 127 P CB 0.013 31.830 31.700 0.195 0.000 0.951 128 P HA -0.076 nan 4.420 nan 0.000 0.269 128 P C 0.018 177.280 177.300 -0.063 0.000 1.211 128 P CA 0.331 63.401 63.100 -0.050 0.000 0.781 128 P CB 0.547 32.189 31.700 -0.097 0.000 0.877 129 T N -0.829 113.659 114.554 -0.109 0.000 2.709 129 T HA 0.202 4.551 4.350 -0.000 0.000 0.174 129 T C 0.571 175.094 174.700 -0.296 0.000 0.774 129 T CA -0.075 61.857 62.100 -0.279 0.000 1.309 129 T CB -0.805 67.803 68.868 -0.434 0.000 2.586 129 T HN 0.230 nan 8.240 nan 0.000 0.401 130 Y N 3.750 124.032 120.300 -0.031 0.000 2.335 130 Y HA 0.506 5.055 4.550 -0.000 0.000 0.348 130 Y C 1.055 176.916 175.900 -0.064 0.000 1.280 130 Y CA -0.059 58.014 58.100 -0.044 0.000 1.504 130 Y CB 0.225 38.659 38.460 -0.042 0.000 1.366 130 Y HN 0.796 nan 8.280 nan 0.000 0.621 131 N N -3.164 115.599 118.700 0.105 0.000 3.020 131 N HA 0.107 4.846 4.740 -0.000 0.000 0.248 131 N C 0.003 175.467 175.510 -0.077 0.000 1.480 131 N CA -0.460 52.573 53.050 -0.028 0.000 0.874 131 N CB 0.577 38.943 38.487 -0.201 0.000 1.433 131 N HN 0.303 nan 8.380 nan 0.000 0.530 132 V N 0.618 120.458 119.914 -0.124 0.000 2.285 132 V HA -0.347 3.773 4.120 -0.000 0.000 0.260 132 V C 1.516 177.451 176.094 -0.265 0.000 1.089 132 V CA 2.692 64.858 62.300 -0.223 0.000 1.082 132 V CB -1.457 30.129 31.823 -0.394 0.000 0.681 132 V HN 0.820 nan 8.190 nan 0.000 0.452 133 H N -3.197 115.787 119.070 -0.142 0.000 2.586 133 H HA 0.315 4.870 4.556 -0.000 0.000 0.273 133 H C -0.433 174.433 175.328 -0.771 0.000 0.997 133 H CA -0.122 55.699 56.048 -0.379 0.000 1.177 133 H CB 0.255 29.767 29.762 -0.416 0.000 1.471 133 H HN 0.487 nan 8.280 nan 0.000 0.538 134 Y N -0.251 119.954 120.300 -0.158 0.000 2.332 134 Y HA 0.349 4.899 4.550 -0.000 0.000 0.326 134 Y C 1.014 176.817 175.900 -0.162 0.000 0.978 134 Y CA -0.937 56.943 58.100 -0.368 0.000 1.205 134 Y CB 1.911 40.120 38.460 -0.418 0.000 1.131 134 Y HN 0.114 nan 8.280 nan 0.000 0.462 135 G N 2.186 110.910 108.800 -0.127 0.000 2.985 135 G HA2 0.018 3.978 3.960 -0.000 0.000 0.209 135 G HA3 0.018 3.978 3.960 -0.000 0.000 0.209 135 G C -0.231 174.850 174.900 0.301 0.000 1.165 135 G CA 0.277 45.373 45.100 -0.008 0.000 0.776 135 G HN 0.538 nan 8.290 nan 0.000 0.541 136 Y N -2.086 118.487 120.300 0.454 0.000 2.562 136 Y HA 0.621 5.170 4.550 -0.000 0.000 0.343 136 Y C 1.135 177.169 175.900 0.222 0.000 1.025 136 Y CA -2.239 56.093 58.100 0.386 0.000 1.082 136 Y CB 0.987 39.584 38.460 0.229 0.000 1.264 136 Y HN -0.243 nan 8.280 nan 0.000 0.478 137 K N 1.367 121.895 120.400 0.213 0.000 2.001 137 K HA -0.150 4.170 4.320 -0.000 0.000 0.214 137 K C 0.538 177.122 176.600 -0.026 0.000 1.050 137 K CA 1.758 57.992 56.287 -0.088 0.000 0.934 137 K CB -0.724 31.694 32.500 -0.136 0.000 0.718 137 K HN 1.057 nan 8.250 nan 0.000 0.443 138 S N -0.827 114.959 115.700 0.144 0.000 3.599 138 S HA -0.231 4.238 4.470 -0.000 0.000 0.840 138 S C 0.496 175.071 174.600 -0.043 0.000 1.349 138 S CA 0.679 58.900 58.200 0.036 0.000 0.947 138 S CB -1.105 61.980 63.200 -0.191 0.000 0.426 138 S HN 0.594 nan 8.310 nan 0.000 0.402 139 W N 2.319 123.552 121.300 -0.112 0.000 2.481 139 W HA 0.006 4.666 4.660 -0.000 0.000 0.293 139 W C 2.057 178.549 176.519 -0.045 0.000 1.201 139 W CA 1.545 58.862 57.345 -0.047 0.000 1.328 139 W CB -0.652 28.788 29.460 -0.033 0.000 1.112 139 W HN 1.092 nan 8.180 nan 0.000 0.546 140 E N 1.437 121.577 120.200 -0.101 0.000 2.097 140 E HA -0.228 4.121 4.350 -0.000 0.000 0.196 140 E C 2.131 178.524 176.600 -0.344 0.000 1.000 140 E CA 2.669 58.960 56.400 -0.181 0.000 0.804 140 E CB -0.709 28.881 29.700 -0.184 0.000 0.740 140 E HN 0.108 nan 8.360 nan 0.000 0.454 141 A N 0.203 122.694 122.820 -0.547 0.000 1.851 141 A HA -0.177 4.142 4.320 -0.000 0.000 0.216 141 A C 2.288 179.653 177.584 -0.364 0.000 1.195 141 A CA 1.727 53.494 52.037 -0.451 0.000 0.622 141 A CB -1.273 17.501 19.000 -0.378 0.000 0.831 141 A HN 0.532 nan 8.150 nan 0.000 0.444 142 F N 2.019 121.666 119.950 -0.505 0.000 2.134 142 F HA -0.211 4.315 4.527 -0.000 0.000 0.299 142 F C 2.658 178.112 175.800 -0.577 0.000 1.097 142 F CA 2.069 59.728 58.000 -0.569 0.000 1.264 142 F CB -0.323 38.205 39.000 -0.787 0.000 1.001 142 F HN 0.319 nan 8.300 nan 0.000 0.479 143 S N -0.144 115.186 115.700 -0.616 0.000 2.335 143 S HA -0.192 4.278 4.470 -0.000 0.000 0.216 143 S C 1.136 175.553 174.600 -0.305 0.000 1.032 143 S CA 0.621 58.550 58.200 -0.450 0.000 1.000 143 S CB -1.119 61.983 63.200 -0.163 0.000 0.928 143 S HN 0.395 nan 8.310 nan 0.000 0.434 144 N N 2.317 120.936 118.700 -0.135 0.000 2.381 144 N HA 0.028 4.767 4.740 -0.000 0.000 0.288 144 N C 0.474 176.010 175.510 0.043 0.000 1.346 144 N CA 0.083 53.167 53.050 0.058 0.000 0.970 144 N CB -0.195 38.489 38.487 0.328 0.000 1.351 144 N HN 0.448 nan 8.380 nan 0.000 0.488 145 L N 1.470 122.674 121.223 -0.032 0.000 2.551 145 L HA -0.051 4.289 4.340 -0.000 0.000 0.228 145 L C 1.809 178.773 176.870 0.157 0.000 1.153 145 L CA 0.335 55.137 54.840 -0.062 0.000 0.851 145 L CB -0.111 41.872 42.059 -0.128 0.000 0.959 145 L HN 0.377 nan 8.230 nan 0.000 0.451 146 S N -1.461 114.337 115.700 0.164 0.000 2.522 146 S HA 0.005 4.475 4.470 -0.000 0.000 0.227 146 S C 0.328 174.983 174.600 0.092 0.000 0.986 146 S CA 0.413 58.697 58.200 0.139 0.000 0.929 146 S CB -0.125 63.162 63.200 0.146 0.000 0.769 146 S HN 0.228 nan 8.310 nan 0.000 0.529 147 Y N -0.195 120.108 120.300 0.004 0.000 2.376 147 Y HA 0.426 4.975 4.550 -0.000 0.000 0.325 147 Y C -0.021 175.825 175.900 -0.090 0.000 1.199 147 Y CA -1.144 56.842 58.100 -0.189 0.000 1.206 147 Y CB 0.448 38.804 38.460 -0.173 0.000 1.229 147 Y HN 0.013 nan 8.280 nan 0.000 0.480 148 Y N 0.476 120.822 120.300 0.076 0.000 2.301 148 Y HA 0.189 4.739 4.550 -0.000 0.000 0.325 148 Y C 0.975 176.928 175.900 0.087 0.000 1.203 148 Y CA -0.220 57.922 58.100 0.069 0.000 1.255 148 Y CB 1.174 39.641 38.460 0.011 0.000 1.232 148 Y HN 0.603 nan 8.280 nan 0.000 0.501 149 T N 1.656 116.378 114.554 0.280 0.000 2.753 149 T HA 0.416 4.765 4.350 -0.000 0.000 0.309 149 T C -0.718 174.081 174.700 0.164 0.000 1.043 149 T CA -0.376 61.824 62.100 0.166 0.000 0.964 149 T CB 0.403 69.347 68.868 0.126 0.000 1.206 149 T HN 0.612 nan 8.240 nan 0.000 0.528 150 R N -0.032 120.557 120.500 0.149 0.000 2.605 150 R HA 0.588 4.928 4.340 -0.000 0.000 0.291 150 R C 0.579 176.993 176.300 0.190 0.000 1.226 150 R CA 0.244 56.424 56.100 0.134 0.000 0.981 150 R CB 0.253 30.582 30.300 0.047 0.000 1.215 150 R HN 0.666 nan 8.270 nan 0.000 0.428 151 A N 4.138 127.137 122.820 0.298 0.000 2.084 151 A HA 0.015 4.335 4.320 -0.000 0.000 0.221 151 A C 0.396 178.051 177.584 0.118 0.000 1.161 151 A CA 1.148 53.367 52.037 0.303 0.000 0.653 151 A CB -0.151 19.228 19.000 0.631 0.000 0.802 151 A HN 0.519 nan 8.150 nan 0.000 0.457 152 L N -0.139 121.099 121.223 0.026 0.000 2.543 152 L HA 0.317 4.657 4.340 -0.000 0.000 0.265 152 L C -2.566 174.148 176.870 -0.259 0.000 0.945 152 L CA -2.381 52.325 54.840 -0.224 0.000 0.869 152 L CB 2.810 44.560 42.059 -0.515 0.000 1.294 152 L HN -0.036 nan 8.230 nan 0.000 0.405 153 P HA 0.062 nan 4.420 nan 0.000 0.269 153 P C -2.692 174.455 177.300 -0.255 0.000 1.205 153 P CA -0.663 62.188 63.100 -0.415 0.000 0.780 153 P CB -0.197 31.076 31.700 -0.711 0.000 0.858 154 P HA 0.078 nan 4.420 nan 0.000 0.296 154 P C -0.481 176.765 177.300 -0.090 0.000 1.295 154 P CA -0.112 62.923 63.100 -0.109 0.000 0.754 154 P CB 0.261 31.914 31.700 -0.078 0.000 1.311 155 V N -0.198 119.696 119.914 -0.034 0.000 2.435 155 V HA 0.465 4.585 4.120 -0.000 0.000 0.290 155 V C 0.186 176.272 176.094 -0.013 0.000 1.030 155 V CA -0.994 61.291 62.300 -0.025 0.000 0.881 155 V CB 0.833 32.662 31.823 0.009 0.000 0.983 155 V HN 0.625 nan 8.190 nan 0.000 0.445 156 A N 2.991 125.802 122.820 -0.015 0.000 2.563 156 A HA 0.013 4.333 4.320 -0.000 0.000 0.256 156 A C 0.968 178.563 177.584 0.018 0.000 1.056 156 A CA -0.003 52.037 52.037 0.005 0.000 0.775 156 A CB -0.411 18.596 19.000 0.011 0.000 0.973 156 A HN 0.944 nan 8.150 nan 0.000 0.516 157 D N 1.223 121.638 120.400 0.025 0.000 2.393 157 D HA -0.118 4.521 4.640 -0.000 0.000 0.220 157 D C 0.964 177.287 176.300 0.038 0.000 0.974 157 D CA 1.796 55.817 54.000 0.035 0.000 0.931 157 D CB 0.207 41.031 40.800 0.040 0.000 0.889 157 D HN 0.770 nan 8.370 nan 0.000 0.512 158 D N -0.781 119.643 120.400 0.038 0.000 2.462 158 D HA -0.003 4.637 4.640 -0.000 0.000 0.221 158 D C -0.211 176.111 176.300 0.036 0.000 1.173 158 D CA -0.380 53.645 54.000 0.042 0.000 0.831 158 D CB -0.816 40.016 40.800 0.053 0.000 1.001 158 D HN 0.019 nan 8.370 nan 0.000 0.499 159 c N 2.450 121.067 118.600 0.029 0.000 2.605 159 c HA 0.230 4.800 4.570 -0.000 0.000 0.404 159 c C -0.141 173.964 174.090 0.025 0.000 1.284 159 c CA -1.013 55.329 56.329 0.022 0.000 2.199 159 c CB 1.525 44.043 42.510 0.012 0.000 2.647 159 c HN 0.259 nan 8.230 nan 0.000 0.604 160 P HA -0.081 nan 4.420 nan 0.000 0.215 160 P C 0.482 177.800 177.300 0.029 0.000 1.157 160 P CA 1.783 64.898 63.100 0.025 0.000 0.868 160 P CB -0.166 31.547 31.700 0.022 0.000 0.788 161 T N -5.884 108.688 114.554 0.030 0.000 2.942 161 T HA 0.449 4.798 4.350 -0.000 0.000 0.289 161 T C -2.336 172.390 174.700 0.043 0.000 1.044 161 T CA -2.287 59.836 62.100 0.039 0.000 1.023 161 T CB 1.775 70.668 68.868 0.043 0.000 1.123 161 T HN -0.282 nan 8.240 nan 0.000 0.512 162 P HA 0.005 nan 4.420 nan 0.000 0.222 162 P C 0.812 178.153 177.300 0.069 0.000 1.142 162 P CA 1.045 64.184 63.100 0.066 0.000 0.788 162 P CB 0.041 31.789 31.700 0.080 0.000 0.767 163 M N -2.795 116.841 119.600 0.059 0.000 2.496 163 M HA 0.363 4.843 4.480 -0.000 0.000 0.330 163 M C 1.114 177.425 176.300 0.018 0.000 1.133 163 M CA 0.298 55.627 55.300 0.048 0.000 0.964 163 M CB 0.418 33.050 32.600 0.054 0.000 1.401 163 M HN 0.060 nan 8.290 nan 0.000 0.520 164 G N 1.096 109.905 108.800 0.014 0.000 3.146 164 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 164 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 164 G C 0.359 175.259 174.900 0.001 0.000 1.853 164 G CA 0.492 45.589 45.100 -0.005 0.000 1.465 164 G HN 0.365 nan 8.290 nan 0.000 0.537 165 V N -1.941 117.972 119.914 -0.002 0.000 3.371 165 V HA 0.521 4.641 4.120 -0.000 0.000 0.246 165 V C 0.896 177.000 176.094 0.017 0.000 1.303 165 V CA 1.252 63.554 62.300 0.004 0.000 1.156 165 V CB 0.055 31.874 31.823 -0.008 0.000 0.929 165 V HN 0.402 nan 8.190 nan 0.000 0.459 166 K N 1.911 122.323 120.400 0.019 0.000 2.298 166 K HA 0.538 4.858 4.320 -0.000 0.000 0.280 166 K C 0.630 177.263 176.600 0.055 0.000 1.032 166 K CA 1.024 57.331 56.287 0.033 0.000 0.958 166 K CB 0.763 33.280 32.500 0.028 0.000 0.978 166 K HN 0.790 nan 8.250 nan 0.000 0.472 167 G N 2.391 111.229 108.800 0.064 0.000 2.472 167 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.205 167 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.205 167 G C -0.921 174.017 174.900 0.064 0.000 1.270 167 G CA -0.842 44.308 45.100 0.082 0.000 0.974 167 G HN 0.617 nan 8.290 nan 0.000 0.542 168 N N -0.014 118.726 118.700 0.067 0.000 2.483 168 N HA 0.279 5.019 4.740 -0.000 0.000 0.285 168 N C 1.388 176.925 175.510 0.045 0.000 1.210 168 N CA -0.176 52.902 53.050 0.048 0.000 0.931 168 N CB 1.692 40.202 38.487 0.038 0.000 1.220 168 N HN 0.715 nan 8.380 nan 0.000 0.542 169 K N 0.428 120.849 120.400 0.034 0.000 2.127 169 K HA -0.198 4.121 4.320 -0.000 0.000 0.208 169 K C -0.313 176.308 176.600 0.035 0.000 1.047 169 K CA 1.693 58.000 56.287 0.032 0.000 0.927 169 K CB 0.195 32.710 32.500 0.025 0.000 0.716 169 K HN 0.503 nan 8.250 nan 0.000 0.450 170 E N -0.713 119.507 120.200 0.034 0.000 2.355 170 E HA 0.419 4.769 4.350 -0.000 0.000 0.261 170 E C -1.520 175.107 176.600 0.045 0.000 0.943 170 E CA -0.849 55.572 56.400 0.034 0.000 0.806 170 E CB 1.432 31.144 29.700 0.020 0.000 1.286 170 E HN -0.070 nan 8.360 nan 0.000 0.424 171 L N 1.390 122.641 121.223 0.048 0.000 2.342 171 L HA 0.521 4.861 4.340 -0.000 0.000 0.271 171 L C -2.422 174.451 176.870 0.004 0.000 1.008 171 L CA -2.183 52.698 54.840 0.068 0.000 0.818 171 L CB 1.187 43.317 42.059 0.119 0.000 1.296 171 L HN 0.378 nan 8.230 nan 0.000 0.427 172 P HA -0.135 nan 4.420 nan 0.000 0.264 172 P C -0.759 176.487 177.300 -0.091 0.000 1.156 172 P CA 0.312 63.301 63.100 -0.184 0.000 0.756 172 P CB 0.224 31.638 31.700 -0.477 0.000 0.764 173 D N 2.147 122.498 120.400 -0.081 0.000 2.451 173 D HA -0.067 4.573 4.640 -0.000 0.000 0.254 173 D C 1.088 177.364 176.300 -0.039 0.000 1.204 173 D CA 0.561 54.534 54.000 -0.046 0.000 0.896 173 D CB 0.748 41.520 40.800 -0.046 0.000 1.136 173 D HN 0.376 nan 8.370 nan 0.000 0.499 174 S N 4.157 119.852 115.700 -0.008 0.000 2.370 174 S HA -0.274 4.195 4.470 -0.000 0.000 0.226 174 S C 1.776 176.380 174.600 0.006 0.000 1.033 174 S CA 1.133 59.342 58.200 0.014 0.000 1.011 174 S CB -0.070 63.146 63.200 0.027 0.000 0.852 174 S HN 0.520 nan 8.310 nan 0.000 0.457 175 K N 1.353 121.750 120.400 -0.004 0.000 2.097 175 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 175 K C 2.325 178.913 176.600 -0.019 0.000 1.049 175 K CA 1.392 57.674 56.287 -0.008 0.000 0.933 175 K CB -0.273 32.221 32.500 -0.011 0.000 0.717 175 K HN 0.331 nan 8.250 nan 0.000 0.442 176 E N 0.028 120.209 120.200 -0.033 0.000 2.031 176 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 176 E C 2.004 178.575 176.600 -0.048 0.000 0.994 176 E CA 1.519 57.891 56.400 -0.048 0.000 0.800 176 E CB -0.204 29.454 29.700 -0.069 0.000 0.752 176 E HN 0.148 nan 8.360 nan 0.000 0.447 177 V N 2.466 122.352 119.914 -0.048 0.000 2.332 177 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 177 V C 2.609 178.699 176.094 -0.006 0.000 1.055 177 V CA 1.399 63.682 62.300 -0.028 0.000 1.038 177 V CB -0.625 31.202 31.823 0.007 0.000 0.651 177 V HN 0.294 nan 8.190 nan 0.000 0.450 178 L N 0.069 121.293 121.223 0.002 0.000 1.944 178 L HA -0.266 4.074 4.340 -0.000 0.000 0.218 178 L C 2.704 179.569 176.870 -0.009 0.000 1.075 178 L CA 2.399 57.242 54.840 0.006 0.000 0.767 178 L CB -0.485 41.584 42.059 0.016 0.000 0.890 178 L HN 0.412 nan 8.230 nan 0.000 0.434 179 E N -0.144 120.047 120.200 -0.015 0.000 2.033 179 E HA -0.290 4.060 4.350 -0.000 0.000 0.199 179 E C 2.134 178.717 176.600 -0.027 0.000 1.011 179 E CA 1.877 58.264 56.400 -0.021 0.000 0.815 179 E CB -0.115 29.570 29.700 -0.024 0.000 0.755 179 E HN 0.498 nan 8.360 nan 0.000 0.451 180 K N 0.082 120.463 120.400 -0.032 0.000 2.074 180 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 180 K C 1.908 178.487 176.600 -0.034 0.000 1.048 180 K CA 1.680 57.944 56.287 -0.038 0.000 0.926 180 K CB 0.122 32.593 32.500 -0.049 0.000 0.713 180 K HN 0.104 nan 8.250 nan 0.000 0.444 181 V N -0.489 119.408 119.914 -0.028 0.000 3.485 181 V HA 0.062 4.182 4.120 -0.000 0.000 0.280 181 V C 1.478 177.550 176.094 -0.036 0.000 1.495 181 V CA 0.076 62.359 62.300 -0.028 0.000 1.018 181 V CB 0.147 31.962 31.823 -0.014 0.000 0.818 181 V HN 0.116 nan 8.190 nan 0.000 0.436 182 L N -0.611 120.592 121.223 -0.033 0.000 2.347 182 L HA 0.326 4.665 4.340 -0.000 0.000 0.196 182 L C 0.883 177.741 176.870 -0.021 0.000 1.072 182 L CA 0.307 55.125 54.840 -0.038 0.000 0.817 182 L CB -0.009 42.025 42.059 -0.043 0.000 1.029 182 L HN 0.147 nan 8.230 nan 0.000 0.478 183 L N 2.149 123.363 121.223 -0.015 0.000 2.578 183 L HA -0.069 4.271 4.340 -0.000 0.000 0.279 183 L C 0.856 177.717 176.870 -0.016 0.000 1.227 183 L CA 0.297 55.129 54.840 -0.012 0.000 0.900 183 L CB 0.024 42.073 42.059 -0.017 0.000 1.144 183 L HN 0.287 nan 8.230 nan 0.000 0.496 184 R N 3.598 124.093 120.500 -0.008 0.000 2.490 184 R HA 0.161 4.501 4.340 -0.000 0.000 0.280 184 R C 0.352 176.648 176.300 -0.007 0.000 1.077 184 R CA -0.443 55.654 56.100 -0.005 0.000 1.065 184 R CB 0.840 31.155 30.300 0.026 0.000 1.003 184 R HN 0.635 nan 8.270 nan 0.000 0.470 185 R N 2.235 122.730 120.500 -0.010 0.000 1.933 185 R HA 0.218 4.558 4.340 -0.000 0.000 0.167 185 R C 0.031 176.336 176.300 0.008 0.000 1.823 185 R CA 0.239 56.334 56.100 -0.009 0.000 1.418 185 R CB -0.455 29.834 30.300 -0.019 0.000 1.174 185 R HN 0.609 nan 8.270 nan 0.000 0.476 186 E N 1.590 121.791 120.200 0.002 0.000 2.216 186 E HA 0.152 4.502 4.350 -0.000 0.000 0.279 186 E C -0.908 175.718 176.600 0.044 0.000 0.997 186 E CA -0.741 55.675 56.400 0.026 0.000 0.817 186 E CB 1.177 30.879 29.700 0.002 0.000 1.096 186 E HN -0.026 nan 8.360 nan 0.000 0.393 187 F N 4.163 124.085 119.950 -0.047 0.000 2.590 187 F HA 0.049 4.576 4.527 -0.000 0.000 0.389 187 F C -0.075 175.691 175.800 -0.056 0.000 1.049 187 F CA 0.139 58.108 58.000 -0.052 0.000 1.199 187 F CB 0.129 39.095 39.000 -0.057 0.000 1.058 187 F HN 0.287 nan 8.300 nan 0.000 0.556 188 I N 9.441 129.521 120.570 -0.816 0.000 2.312 188 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 188 I C -1.933 173.520 176.117 -1.106 0.000 1.008 188 I CA -2.035 58.841 61.300 -0.705 0.000 1.226 188 I CB 1.187 38.936 38.000 -0.419 0.000 1.371 188 I HN 0.458 nan 8.210 nan 0.000 0.468 189 P HA 0.038 nan 4.420 nan 0.000 0.274 189 P C -0.957 176.136 177.300 -0.345 0.000 1.260 189 P CA -0.245 62.572 63.100 -0.471 0.000 0.793 189 P CB 0.903 32.518 31.700 -0.140 0.000 1.048 190 D N 0.171 120.433 120.400 -0.229 0.000 2.249 190 D HA 0.162 4.802 4.640 -0.000 0.000 0.246 190 D C -1.351 174.822 176.300 -0.212 0.000 1.114 190 D CA -2.500 51.350 54.000 -0.250 0.000 0.854 190 D CB 0.591 41.234 40.800 -0.262 0.000 1.132 190 D HN 0.126 nan 8.370 nan 0.000 0.461 191 P HA -0.125 nan 4.420 nan 0.000 0.230 191 P C 0.461 177.643 177.300 -0.197 0.000 1.158 191 P CA 0.906 63.896 63.100 -0.184 0.000 0.769 191 P CB 0.343 31.938 31.700 -0.175 0.000 0.807 192 Q N -1.092 118.558 119.800 -0.250 0.000 2.392 192 Q HA 0.207 4.547 4.340 -0.000 0.000 0.203 192 Q C 1.252 177.120 176.000 -0.221 0.000 0.917 192 Q CA 0.631 56.258 55.803 -0.294 0.000 0.939 192 Q CB 0.006 28.495 28.738 -0.415 0.000 1.063 192 Q HN 0.266 nan 8.270 nan 0.000 0.516 193 G N 1.536 110.257 108.800 -0.132 0.000 2.136 193 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 193 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 193 G C -0.026 174.898 174.900 0.041 0.000 0.989 193 G CA 0.198 45.276 45.100 -0.036 0.000 0.682 193 G HN 0.254 nan 8.290 nan 0.000 0.522 194 S N 1.562 117.233 115.700 -0.048 0.000 2.506 194 S HA 0.311 4.781 4.470 -0.000 0.000 0.291 194 S C 1.153 175.681 174.600 -0.120 0.000 1.230 194 S CA 0.321 58.382 58.200 -0.232 0.000 1.107 194 S CB 0.225 63.011 63.200 -0.689 0.000 0.942 194 S HN 0.848 nan 8.310 nan 0.000 0.502 195 N N 3.580 122.280 118.700 -0.001 0.000 2.332 195 N HA 0.199 4.939 4.740 -0.000 0.000 0.285 195 N C 0.964 176.500 175.510 0.043 0.000 1.292 195 N CA -0.417 52.665 53.050 0.053 0.000 0.947 195 N CB -0.014 38.545 38.487 0.120 0.000 1.084 195 N HN 0.257 nan 8.380 nan 0.000 0.529 196 M N -1.102 118.493 119.600 -0.007 0.000 2.349 196 M HA 0.118 4.598 4.480 -0.000 0.000 0.266 196 M C 1.546 177.867 176.300 0.035 0.000 1.076 196 M CA 0.875 56.040 55.300 -0.226 0.000 1.126 196 M CB -1.004 31.177 32.600 -0.698 0.000 1.392 196 M HN 0.442 nan 8.290 nan 0.000 0.440 197 M N -0.565 119.211 119.600 0.293 0.000 2.108 197 M HA -0.199 4.280 4.480 -0.000 0.000 0.261 197 M C 2.211 178.927 176.300 0.693 0.000 1.066 197 M CA 1.621 57.262 55.300 0.568 0.000 1.107 197 M CB -1.476 31.424 32.600 0.500 0.000 1.356 197 M HN 0.216 nan 8.290 nan 0.000 0.406 198 F N 0.867 120.979 119.950 0.269 0.000 2.039 198 F HA -0.058 4.469 4.527 -0.000 0.000 0.294 198 F C 2.361 178.159 175.800 -0.004 0.000 1.130 198 F CA 1.822 59.706 58.000 -0.193 0.000 1.189 198 F CB -0.746 38.053 39.000 -0.334 0.000 0.983 198 F HN 0.122 nan 8.300 nan 0.000 0.471 199 A N 0.246 123.306 122.820 0.400 0.000 1.927 199 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 199 A C 2.108 179.739 177.584 0.077 0.000 1.185 199 A CA 2.137 54.292 52.037 0.198 0.000 0.639 199 A CB -1.568 17.413 19.000 -0.030 0.000 0.820 199 A HN 0.481 nan 8.150 nan 0.000 0.451 200 F N -1.878 118.202 119.950 0.217 0.000 2.259 200 F HA 0.042 4.568 4.527 -0.000 0.000 0.298 200 F C 1.931 177.883 175.800 0.252 0.000 1.088 200 F CA 0.198 58.339 58.000 0.235 0.000 1.358 200 F CB -1.001 38.167 39.000 0.280 0.000 1.040 200 F HN 0.338 nan 8.300 nan 0.000 0.505 201 F N 0.849 120.947 119.950 0.247 0.000 2.046 201 F HA -0.183 4.343 4.527 -0.000 0.000 0.297 201 F C 2.434 178.134 175.800 -0.167 0.000 1.123 201 F CA 1.777 59.590 58.000 -0.311 0.000 1.199 201 F CB -0.730 38.048 39.000 -0.370 0.000 0.972 201 F HN -0.088 nan 8.300 nan 0.000 0.474 202 A N -0.404 122.453 122.820 0.061 0.000 1.978 202 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 202 A C 2.242 179.825 177.584 -0.002 0.000 1.170 202 A CA 1.931 54.012 52.037 0.073 0.000 0.636 202 A CB -1.005 18.094 19.000 0.164 0.000 0.810 202 A HN 0.649 nan 8.150 nan 0.000 0.448 203 Q N -1.522 118.262 119.800 -0.027 0.000 2.172 203 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 203 Q C 1.931 177.665 176.000 -0.443 0.000 0.964 203 Q CA 1.700 57.349 55.803 -0.257 0.000 0.855 203 Q CB -0.163 28.493 28.738 -0.137 0.000 0.918 203 Q HN 0.937 nan 8.270 nan 0.000 0.444 204 H N -0.483 118.357 119.070 -0.383 0.000 2.333 204 H HA -0.107 4.448 4.556 -0.000 0.000 0.302 204 H C 1.656 176.930 175.328 -0.090 0.000 1.075 204 H CA 1.786 57.545 56.048 -0.480 0.000 1.348 204 H CB -0.414 29.082 29.762 -0.443 0.000 1.393 204 H HN 0.280 nan 8.280 nan 0.000 0.509 205 F N 1.508 121.198 119.950 -0.433 0.000 2.000 205 F HA -0.205 4.322 4.527 -0.000 0.000 0.295 205 F C 2.755 178.172 175.800 -0.638 0.000 1.159 205 F CA 2.588 60.281 58.000 -0.512 0.000 1.171 205 F CB -1.192 37.386 39.000 -0.703 0.000 0.971 205 F HN 0.302 nan 8.300 nan 0.000 0.479 206 T N -2.151 112.032 114.554 -0.618 0.000 2.969 206 T HA -0.272 4.078 4.350 -0.000 0.000 0.271 206 T C 1.233 175.220 174.700 -1.189 0.000 1.127 206 T CA 1.798 63.008 62.100 -1.484 0.000 1.102 206 T CB -1.093 67.275 68.868 -0.832 0.000 0.855 206 T HN 0.488 nan 8.240 nan 0.000 0.536 207 H N 1.271 119.944 119.070 -0.660 0.000 2.547 207 H HA 0.196 4.752 4.556 -0.000 0.000 0.274 207 H C 2.230 177.315 175.328 -0.405 0.000 1.024 207 H CA 0.597 56.452 56.048 -0.322 0.000 1.155 207 H CB -0.162 29.685 29.762 0.142 0.000 1.344 207 H HN 0.817 nan 8.280 nan 0.000 0.598 208 Q N -0.443 118.951 119.800 -0.676 0.000 2.304 208 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 208 Q C 1.195 176.880 176.000 -0.525 0.000 0.936 208 Q CA 0.656 56.071 55.803 -0.647 0.000 0.878 208 Q CB -0.344 27.805 28.738 -0.982 0.000 0.983 208 Q HN 0.445 nan 8.270 nan 0.000 0.516 209 F N -0.249 119.296 119.950 -0.675 0.000 2.317 209 F HA 0.336 4.863 4.527 -0.000 0.000 0.293 209 F C 0.317 175.836 175.800 -0.467 0.000 1.085 209 F CA -0.706 56.919 58.000 -0.625 0.000 1.390 209 F CB -0.360 38.211 39.000 -0.716 0.000 1.077 209 F HN -0.198 nan 8.300 nan 0.000 0.517 210 F N 2.732 122.476 119.950 -0.342 0.000 2.404 210 F HA 0.421 4.948 4.527 -0.000 0.000 0.359 210 F C 0.427 176.058 175.800 -0.282 0.000 1.134 210 F CA -1.231 56.628 58.000 -0.236 0.000 1.160 210 F CB 0.444 39.140 39.000 -0.507 0.000 1.186 210 F HN 0.015 nan 8.300 nan 0.000 0.526 211 K N 0.861 121.300 120.400 0.066 0.000 2.895 211 K HA 0.109 4.428 4.320 -0.000 0.000 0.200 211 K C -0.141 176.435 176.600 -0.040 0.000 1.133 211 K CA -0.295 55.953 56.287 -0.065 0.000 1.060 211 K CB 0.683 33.094 32.500 -0.148 0.000 0.735 211 K HN 0.443 nan 8.250 nan 0.000 0.451 212 T N 2.479 117.082 114.554 0.081 0.000 2.343 212 T HA -0.192 4.158 4.350 -0.000 0.000 0.183 212 T C 0.145 174.732 174.700 -0.189 0.000 1.034 212 T CA 0.951 63.036 62.100 -0.025 0.000 1.198 212 T CB -0.099 68.624 68.868 -0.243 0.000 0.977 212 T HN 0.199 nan 8.240 nan 0.000 0.433 213 D N 2.133 122.467 120.400 -0.110 0.000 2.508 213 D HA 0.074 4.714 4.640 -0.000 0.000 0.224 213 D C 1.190 177.452 176.300 -0.063 0.000 1.171 213 D CA -0.150 53.803 54.000 -0.077 0.000 1.006 213 D CB 0.016 40.791 40.800 -0.042 0.000 1.073 213 D HN 0.661 nan 8.370 nan 0.000 0.513 214 H N 1.064 120.160 119.070 0.044 0.000 2.518 214 H HA -0.075 4.481 4.556 -0.000 0.000 0.292 214 H C 1.730 177.067 175.328 0.014 0.000 1.068 214 H CA 1.142 57.215 56.048 0.042 0.000 1.275 214 H CB 0.695 30.477 29.762 0.034 0.000 1.375 214 H HN 0.270 nan 8.280 nan 0.000 0.563 215 K N 0.108 120.548 120.400 0.067 0.000 2.103 215 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 215 K C 2.061 178.630 176.600 -0.051 0.000 1.052 215 K CA 0.911 57.200 56.287 0.004 0.000 0.945 215 K CB 0.141 32.618 32.500 -0.038 0.000 0.722 215 K HN 0.305 nan 8.250 nan 0.000 0.443 216 R N -0.141 120.285 120.500 -0.123 0.000 2.066 216 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 216 R C 0.922 177.215 176.300 -0.012 0.000 1.122 216 R CA 0.781 56.692 56.100 -0.314 0.000 0.974 216 R CB 0.304 30.080 30.300 -0.875 0.000 0.871 216 R HN 0.257 nan 8.270 nan 0.000 0.435 217 G N -0.210 108.701 108.800 0.186 0.000 2.369 217 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.295 217 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.295 217 G C -3.119 171.937 174.900 0.260 0.000 1.298 217 G CA -1.269 43.998 45.100 0.278 0.000 0.940 217 G HN -0.153 nan 8.290 nan 0.000 0.536 218 P HA 0.502 nan 4.420 nan 0.000 0.281 218 P C 0.857 178.195 177.300 0.063 0.000 1.252 218 P CA 1.387 64.552 63.100 0.108 0.000 0.778 218 P CB 1.290 33.044 31.700 0.091 0.000 0.895 219 G N 1.674 110.518 108.800 0.072 0.000 2.428 219 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.199 219 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.199 219 G C -0.247 174.550 174.900 -0.172 0.000 1.005 219 G CA -0.536 44.537 45.100 -0.044 0.000 0.671 219 G HN 0.375 nan 8.290 nan 0.000 0.485 220 F N 1.509 121.480 119.950 0.035 0.000 2.377 220 F HA 0.761 5.287 4.527 -0.000 0.000 0.328 220 F C 0.802 176.419 175.800 -0.304 0.000 1.094 220 F CA 0.365 58.256 58.000 -0.182 0.000 1.093 220 F CB 2.063 40.930 39.000 -0.222 0.000 1.214 220 F HN 0.081 nan 8.300 nan 0.000 0.518 221 T N 0.695 115.046 114.554 -0.339 0.000 2.883 221 T HA 0.461 4.811 4.350 -0.000 0.000 0.296 221 T C 0.249 174.781 174.700 -0.279 0.000 1.117 221 T CA -0.714 61.050 62.100 -0.560 0.000 1.006 221 T CB 1.354 69.470 68.868 -1.253 0.000 1.191 221 T HN 0.696 nan 8.240 nan 0.000 0.508 222 R N 1.012 121.371 120.500 -0.235 0.000 2.437 222 R HA 0.283 4.623 4.340 -0.000 0.000 0.257 222 R C 1.066 177.261 176.300 -0.174 0.000 0.927 222 R CA -0.147 55.856 56.100 -0.161 0.000 1.078 222 R CB 0.726 30.949 30.300 -0.129 0.000 1.161 222 R HN 0.575 nan 8.270 nan 0.000 0.529 223 G N 1.278 109.929 108.800 -0.250 0.000 3.286 223 G HA2 0.220 4.179 3.960 -0.000 0.000 0.303 223 G HA3 0.220 4.179 3.960 -0.000 0.000 0.303 223 G C 0.695 175.460 174.900 -0.225 0.000 0.974 223 G CA -0.425 44.531 45.100 -0.240 0.000 1.635 223 G HN 0.112 nan 8.290 nan 0.000 0.535 224 L N 1.397 122.584 121.223 -0.060 0.000 2.362 224 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 224 L C 2.671 179.665 176.870 0.207 0.000 1.134 224 L CA 0.856 55.777 54.840 0.134 0.000 0.807 224 L CB 0.106 42.185 42.059 0.033 0.000 0.927 224 L HN 0.513 nan 8.230 nan 0.000 0.447 225 G N -2.145 106.686 108.800 0.052 0.000 2.679 225 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.212 225 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.212 225 G C 0.575 175.507 174.900 0.053 0.000 1.137 225 G CA -0.230 44.878 45.100 0.014 0.000 0.787 225 G HN 0.589 nan 8.290 nan 0.000 0.534 226 H N -0.193 118.796 119.070 -0.135 0.000 2.355 226 H HA -0.181 4.374 4.556 -0.000 0.000 0.324 226 H C 1.193 176.401 175.328 -0.201 0.000 1.015 226 H CA 0.737 56.699 56.048 -0.143 0.000 1.101 226 H CB -1.234 28.449 29.762 -0.130 0.000 1.555 226 H HN 0.713 nan 8.280 nan 0.000 0.386 227 G N -1.534 107.161 108.800 -0.175 0.000 2.344 227 G HA2 0.161 4.121 3.960 -0.000 0.000 0.282 227 G HA3 0.161 4.121 3.960 -0.000 0.000 0.282 227 G C -0.773 173.971 174.900 -0.260 0.000 1.281 227 G CA -0.387 44.525 45.100 -0.313 0.000 0.877 227 G HN 0.153 nan 8.290 nan 0.000 0.494 228 V N 2.311 122.069 119.914 -0.260 0.000 2.324 228 V HA 0.255 4.375 4.120 -0.000 0.000 0.244 228 V C 0.495 176.497 176.094 -0.153 0.000 1.144 228 V CA 1.155 63.324 62.300 -0.218 0.000 1.158 228 V CB 0.127 31.879 31.823 -0.118 0.000 1.254 228 V HN 0.772 nan 8.190 nan 0.000 0.492 229 D N 3.496 123.782 120.400 -0.190 0.000 2.469 229 D HA 0.062 4.702 4.640 -0.000 0.000 0.215 229 D C 0.827 177.072 176.300 -0.092 0.000 1.154 229 D CA -0.447 53.487 54.000 -0.109 0.000 0.832 229 D CB -0.028 40.718 40.800 -0.091 0.000 1.008 229 D HN 0.363 nan 8.370 nan 0.000 0.506 230 L N 0.962 122.045 121.223 -0.233 0.000 3.781 230 L HA -0.349 3.991 4.340 -0.000 0.000 0.426 230 L C 0.920 177.769 176.870 -0.036 0.000 1.197 230 L CA 0.775 55.499 54.840 -0.193 0.000 0.907 230 L CB -2.382 39.697 42.059 0.033 0.000 1.812 230 L HN 0.306 nan 8.230 nan 0.000 0.956 231 N N 0.018 118.609 118.700 -0.180 0.000 2.331 231 N HA -0.180 4.560 4.740 -0.000 0.000 0.180 231 N C 1.730 177.174 175.510 -0.111 0.000 1.019 231 N CA 1.466 54.460 53.050 -0.093 0.000 0.881 231 N CB -0.204 38.195 38.487 -0.147 0.000 0.972 231 N HN 0.698 nan 8.380 nan 0.000 0.435 232 H N -0.313 118.555 119.070 -0.338 0.000 2.489 232 H HA 0.036 4.592 4.556 -0.000 0.000 0.293 232 H C 1.559 176.664 175.328 -0.372 0.000 1.066 232 H CA 1.213 56.967 56.048 -0.489 0.000 1.305 232 H CB -0.641 28.757 29.762 -0.607 0.000 1.386 232 H HN 0.429 nan 8.280 nan 0.000 0.551 233 I N -1.073 119.506 120.570 0.016 0.000 2.729 233 I HA -0.078 4.092 4.170 -0.000 0.000 0.256 233 I C 1.417 177.320 176.117 -0.357 0.000 1.115 233 I CA 0.466 61.578 61.300 -0.314 0.000 1.446 233 I CB -0.053 37.549 38.000 -0.662 0.000 1.176 233 I HN 0.040 nan 8.210 nan 0.000 0.446 234 Y N 1.107 121.401 120.300 -0.010 0.000 2.503 234 Y HA 0.440 4.990 4.550 -0.000 0.000 0.278 234 Y C 1.106 176.998 175.900 -0.013 0.000 1.111 234 Y CA 0.212 58.317 58.100 0.008 0.000 1.270 234 Y CB 0.120 38.616 38.460 0.061 0.000 1.063 234 Y HN 0.145 nan 8.280 nan 0.000 0.548 235 G N 0.229 109.068 108.800 0.066 0.000 2.528 235 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.681 235 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.681 235 G C -0.380 174.506 174.900 -0.025 0.000 1.340 235 G CA -0.732 44.367 45.100 -0.001 0.000 0.855 235 G HN 0.052 nan 8.290 nan 0.000 0.649 236 E N -0.540 119.623 120.200 -0.062 0.000 2.158 236 E HA 0.167 4.517 4.350 -0.000 0.000 0.191 236 E C 1.821 178.387 176.600 -0.057 0.000 0.982 236 E CA 1.672 58.029 56.400 -0.071 0.000 0.823 236 E CB 0.189 29.835 29.700 -0.090 0.000 0.766 236 E HN 0.952 nan 8.360 nan 0.000 0.468 237 T N -2.812 111.708 114.554 -0.057 0.000 2.924 237 T HA 0.339 4.689 4.350 -0.000 0.000 0.291 237 T C 0.861 175.504 174.700 -0.095 0.000 1.045 237 T CA -0.847 61.215 62.100 -0.063 0.000 1.015 237 T CB 1.196 70.031 68.868 -0.054 0.000 1.103 237 T HN -0.052 nan 8.240 nan 0.000 0.496 238 L N 0.407 121.553 121.223 -0.129 0.000 2.131 238 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 238 L C 2.307 179.005 176.870 -0.287 0.000 1.092 238 L CA 1.991 56.667 54.840 -0.273 0.000 0.759 238 L CB -0.472 41.448 42.059 -0.232 0.000 0.903 238 L HN 0.897 nan 8.230 nan 0.000 0.435 239 D N 0.254 120.591 120.400 -0.105 0.000 2.087 239 D HA -0.284 4.356 4.640 -0.000 0.000 0.192 239 D C 2.211 178.509 176.300 -0.003 0.000 0.993 239 D CA 1.680 55.671 54.000 -0.014 0.000 0.828 239 D CB -0.009 40.791 40.800 0.000 0.000 0.968 239 D HN 0.157 nan 8.370 nan 0.000 0.448 240 R N -0.039 120.444 120.500 -0.029 0.000 2.082 240 R HA -0.153 4.186 4.340 -0.000 0.000 0.234 240 R C 2.478 178.770 176.300 -0.014 0.000 1.136 240 R CA 1.709 57.801 56.100 -0.013 0.000 0.935 240 R CB -0.394 29.890 30.300 -0.027 0.000 0.842 240 R HN 0.201 nan 8.270 nan 0.000 0.430 241 Q N -0.320 119.441 119.800 -0.065 0.000 2.133 241 Q HA -0.249 4.090 4.340 -0.000 0.000 0.208 241 Q C 1.726 177.672 176.000 -0.089 0.000 0.991 241 Q CA 1.894 57.652 55.803 -0.076 0.000 0.867 241 Q CB -0.173 28.472 28.738 -0.155 0.000 0.911 241 Q HN 0.579 nan 8.270 nan 0.000 0.417 242 H N 0.052 119.110 119.070 -0.019 0.000 2.395 242 H HA 0.026 4.582 4.556 -0.000 0.000 0.299 242 H C 1.998 177.384 175.328 0.097 0.000 1.070 242 H CA 1.081 57.171 56.048 0.070 0.000 1.356 242 H CB 0.116 30.023 29.762 0.242 0.000 1.401 242 H HN 0.233 nan 8.280 nan 0.000 0.524 243 K N 0.380 120.886 120.400 0.177 0.000 2.147 243 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 243 K C 1.839 178.484 176.600 0.075 0.000 1.049 243 K CA 0.683 57.041 56.287 0.119 0.000 0.936 243 K CB 0.068 32.613 32.500 0.075 0.000 0.722 243 K HN 0.196 nan 8.250 nan 0.000 0.446 244 L N 0.220 121.471 121.223 0.046 0.000 2.599 244 L HA 0.044 4.384 4.340 -0.000 0.000 0.230 244 L C 1.052 177.918 176.870 -0.006 0.000 1.141 244 L CA 0.055 54.912 54.840 0.029 0.000 0.877 244 L CB -0.098 41.986 42.059 0.042 0.000 1.009 244 L HN 0.062 nan 8.230 nan 0.000 0.447 245 R N 0.265 120.705 120.500 -0.102 0.000 2.486 245 R HA 0.153 4.493 4.340 -0.000 0.000 0.286 245 R C 0.739 176.899 176.300 -0.233 0.000 0.999 245 R CA -0.445 55.473 56.100 -0.304 0.000 0.993 245 R CB 1.598 31.366 30.300 -0.886 0.000 1.084 245 R HN -0.090 nan 8.270 nan 0.000 0.487 246 L N 3.579 124.716 121.223 -0.144 0.000 2.095 246 L HA 0.080 4.420 4.340 -0.000 0.000 0.204 246 L C 0.260 177.191 176.870 0.101 0.000 1.080 246 L CA 1.541 56.375 54.840 -0.010 0.000 0.759 246 L CB -0.345 41.734 42.059 0.033 0.000 0.914 246 L HN 0.848 nan 8.230 nan 0.000 0.439 247 F N -0.993 118.986 119.950 0.048 0.000 2.999 247 F HA -0.204 4.323 4.527 -0.000 0.000 0.291 247 F C 0.540 176.362 175.800 0.036 0.000 0.824 247 F CA 0.763 58.770 58.000 0.011 0.000 1.255 247 F CB -1.572 37.398 39.000 -0.050 0.000 1.333 247 F HN 0.164 nan 8.300 nan 0.000 0.502 248 K N 0.560 121.069 120.400 0.182 0.000 2.513 248 K HA 0.393 4.712 4.320 -0.000 0.000 0.251 248 K C 0.323 177.018 176.600 0.158 0.000 0.939 248 K CA -0.121 56.255 56.287 0.150 0.000 0.793 248 K CB 1.523 34.090 32.500 0.111 0.000 1.241 248 K HN -0.020 nan 8.250 nan 0.000 0.431 249 D N 2.469 122.964 120.400 0.158 0.000 3.068 249 D HA -0.229 4.410 4.640 -0.000 0.000 0.219 249 D C 0.711 177.135 176.300 0.207 0.000 1.175 249 D CA 2.227 56.328 54.000 0.169 0.000 0.942 249 D CB -0.974 39.914 40.800 0.146 0.000 1.127 249 D HN 1.049 nan 8.370 nan 0.000 0.404 250 G N -0.759 108.184 108.800 0.238 0.000 2.179 250 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 250 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 250 G C 0.343 175.501 174.900 0.431 0.000 0.977 250 G CA 0.672 45.969 45.100 0.329 0.000 0.641 250 G HN 0.499 nan 8.290 nan 0.000 0.533 251 K N -0.405 120.191 120.400 0.326 0.000 2.219 251 K HA 0.501 4.821 4.320 -0.000 0.000 0.258 251 K C 0.187 177.009 176.600 0.371 0.000 1.008 251 K CA -0.676 55.841 56.287 0.383 0.000 0.928 251 K CB 0.779 33.455 32.500 0.293 0.000 0.983 251 K HN 0.050 nan 8.250 nan 0.000 0.484 252 L N 2.179 123.654 121.223 0.420 0.000 2.375 252 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 252 L C 0.088 177.078 176.870 0.200 0.000 1.107 252 L CA -0.193 54.794 54.840 0.245 0.000 0.806 252 L CB 1.007 43.180 42.059 0.189 0.000 1.146 252 L HN 0.433 nan 8.230 nan 0.000 0.447 253 K N 2.834 123.286 120.400 0.086 0.000 2.319 253 K HA 0.353 4.673 4.320 -0.000 0.000 0.265 253 K C -1.220 175.427 176.600 0.079 0.000 1.000 253 K CA 0.316 56.602 56.287 -0.002 0.000 0.943 253 K CB 0.405 32.897 32.500 -0.013 0.000 0.950 253 K HN 0.513 nan 8.250 nan 0.000 0.485 254 Y N -1.043 119.260 120.300 0.004 0.000 2.713 254 Y HA 0.295 4.845 4.550 -0.000 0.000 0.335 254 Y C -1.801 174.077 175.900 -0.037 0.000 1.222 254 Y CA -1.263 56.820 58.100 -0.028 0.000 1.061 254 Y CB 0.609 39.056 38.460 -0.021 0.000 1.314 254 Y HN 0.667 nan 8.280 nan 0.000 0.453 255 Q N 0.781 120.759 119.800 0.296 0.000 2.433 255 Q HA 0.864 5.204 4.340 -0.000 0.000 0.279 255 Q C -2.091 174.032 176.000 0.205 0.000 1.105 255 Q CA -1.353 54.563 55.803 0.189 0.000 0.815 255 Q CB 3.055 31.818 28.738 0.042 0.000 1.403 255 Q HN 0.635 nan 8.270 nan 0.000 0.435 256 V N 2.808 122.817 119.914 0.157 0.000 2.357 256 V HA 0.390 4.510 4.120 -0.000 0.000 0.281 256 V C -0.719 175.440 176.094 0.109 0.000 1.015 256 V CA -0.456 61.903 62.300 0.097 0.000 0.827 256 V CB 1.064 32.940 31.823 0.088 0.000 1.018 256 V HN 0.678 nan 8.190 nan 0.000 0.432 257 I N 4.040 124.716 120.570 0.177 0.000 2.307 257 I HA 0.540 4.710 4.170 -0.000 0.000 0.289 257 I C 1.212 177.431 176.117 0.171 0.000 1.021 257 I CA -0.251 61.167 61.300 0.196 0.000 1.224 257 I CB 1.355 39.516 38.000 0.269 0.000 1.376 257 I HN 0.802 nan 8.210 nan 0.000 0.470 258 G N 4.506 113.365 108.800 0.099 0.000 2.295 258 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.287 258 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.287 258 G C 0.976 175.901 174.900 0.042 0.000 1.055 258 G CA 0.454 45.596 45.100 0.070 0.000 0.922 258 G HN 1.455 nan 8.290 nan 0.000 0.503 259 G N -1.784 107.030 108.800 0.024 0.000 2.168 259 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.263 259 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.263 259 G C 0.129 174.992 174.900 -0.062 0.000 0.977 259 G CA 1.076 46.170 45.100 -0.010 0.000 0.659 259 G HN 0.971 nan 8.290 nan 0.000 0.533 260 E N -0.494 119.652 120.200 -0.089 0.000 2.207 260 E HA 0.566 4.916 4.350 -0.000 0.000 0.270 260 E C -0.069 176.298 176.600 -0.388 0.000 0.927 260 E CA -0.791 55.452 56.400 -0.261 0.000 0.799 260 E CB 2.262 31.771 29.700 -0.318 0.000 1.172 260 E HN 0.110 nan 8.360 nan 0.000 0.404 261 V N 3.628 123.238 119.914 -0.507 0.000 2.385 261 V HA 0.227 4.347 4.120 -0.000 0.000 0.269 261 V C -0.808 174.913 176.094 -0.622 0.000 1.043 261 V CA -0.193 61.819 62.300 -0.480 0.000 0.906 261 V CB -0.395 31.138 31.823 -0.483 0.000 0.995 261 V HN 0.483 nan 8.190 nan 0.000 0.467 262 Y N 4.744 124.953 120.300 -0.152 0.000 2.602 262 Y HA 0.544 5.094 4.550 -0.000 0.000 0.342 262 Y C -2.219 173.480 175.900 -0.334 0.000 1.029 262 Y CA -2.833 55.112 58.100 -0.258 0.000 1.080 262 Y CB 1.712 39.946 38.460 -0.376 0.000 1.284 262 Y HN 0.410 nan 8.280 nan 0.000 0.485 263 P HA -0.013 nan 4.420 nan 0.000 0.270 263 P C -2.472 174.661 177.300 -0.279 0.000 1.221 263 P CA -0.460 62.514 63.100 -0.211 0.000 0.788 263 P CB -0.032 31.577 31.700 -0.152 0.000 0.904 264 P HA 0.057 nan 4.420 nan 0.000 0.275 264 P C -0.487 176.781 177.300 -0.054 0.000 1.266 264 P CA 0.011 63.075 63.100 -0.061 0.000 0.793 264 P CB 0.150 31.845 31.700 -0.009 0.000 1.074 265 T N -3.408 111.141 114.554 -0.008 0.000 2.918 265 T HA 0.196 4.546 4.350 -0.000 0.000 0.283 265 T C 1.236 175.975 174.700 0.064 0.000 1.001 265 T CA -0.680 61.445 62.100 0.042 0.000 1.041 265 T CB 0.145 69.033 68.868 0.033 0.000 1.028 265 T HN 0.077 nan 8.240 nan 0.000 0.511 266 V N 1.509 121.480 119.914 0.095 0.000 3.444 266 V HA 0.043 4.162 4.120 -0.000 0.000 0.271 266 V C 2.298 178.426 176.094 0.058 0.000 1.188 266 V CA 1.321 63.681 62.300 0.099 0.000 1.168 266 V CB -1.077 30.839 31.823 0.154 0.000 0.810 266 V HN 0.945 nan 8.190 nan 0.000 0.500 267 K N -0.287 120.137 120.400 0.040 0.000 2.350 267 K HA -0.017 4.303 4.320 -0.000 0.000 0.196 267 K C 1.734 178.347 176.600 0.022 0.000 1.084 267 K CA 0.584 56.887 56.287 0.026 0.000 0.967 267 K CB 0.248 32.758 32.500 0.017 0.000 0.950 267 K HN 0.414 nan 8.250 nan 0.000 0.512 268 D N 0.973 121.385 120.400 0.021 0.000 2.087 268 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 268 D C 0.635 176.948 176.300 0.021 0.000 0.980 268 D CA 1.467 55.475 54.000 0.014 0.000 0.849 268 D CB -0.380 40.422 40.800 0.004 0.000 1.001 268 D HN 0.196 nan 8.370 nan 0.000 0.452 269 T N -1.915 112.655 114.554 0.027 0.000 2.828 269 T HA 0.271 4.620 4.350 -0.000 0.000 0.290 269 T C 0.472 175.196 174.700 0.039 0.000 1.019 269 T CA -0.397 61.725 62.100 0.037 0.000 1.031 269 T CB 1.167 70.060 68.868 0.041 0.000 1.001 269 T HN 0.101 nan 8.240 nan 0.000 0.531 270 Q N 0.305 120.129 119.800 0.041 0.000 2.189 270 Q HA 0.330 4.670 4.340 -0.000 0.000 0.221 270 Q C 0.186 176.208 176.000 0.036 0.000 0.848 270 Q CA -0.387 55.438 55.803 0.036 0.000 1.007 270 Q CB 0.763 29.519 28.738 0.030 0.000 1.116 270 Q HN 0.659 nan 8.270 nan 0.000 0.481 271 V N 0.631 120.569 119.914 0.041 0.000 2.439 271 V HA 0.103 4.223 4.120 -0.000 0.000 0.271 271 V C 0.095 176.211 176.094 0.037 0.000 1.040 271 V CA -0.377 61.942 62.300 0.033 0.000 1.002 271 V CB 0.701 32.542 31.823 0.030 0.000 1.000 271 V HN 0.244 nan 8.190 nan 0.000 0.477 272 E N 6.873 127.084 120.200 0.018 0.000 2.442 272 E HA 0.191 4.541 4.350 -0.000 0.000 0.262 272 E C -0.304 176.294 176.600 -0.003 0.000 1.004 272 E CA 0.226 56.634 56.400 0.013 0.000 0.928 272 E CB 0.603 30.299 29.700 -0.006 0.000 0.937 272 E HN 0.634 nan 8.360 nan 0.000 0.446 273 M N 1.692 121.291 119.600 -0.003 0.000 2.664 273 M HA 0.420 4.899 4.480 -0.000 0.000 0.279 273 M C -0.593 175.602 176.300 -0.175 0.000 1.275 273 M CA -0.752 54.488 55.300 -0.099 0.000 0.829 273 M CB 1.574 34.140 32.600 -0.057 0.000 1.727 273 M HN 0.383 nan 8.290 nan 0.000 0.459 274 I N 2.070 122.436 120.570 -0.339 0.000 2.307 274 I HA 0.291 4.460 4.170 -0.000 0.000 0.287 274 I C -1.552 174.270 176.117 -0.492 0.000 1.054 274 I CA -0.266 60.858 61.300 -0.293 0.000 1.218 274 I CB 0.179 38.063 38.000 -0.193 0.000 1.398 274 I HN 0.422 nan 8.210 nan 0.000 0.475 275 Y N 5.886 126.103 120.300 -0.139 0.000 2.421 275 Y HA 0.439 4.988 4.550 -0.000 0.000 0.339 275 Y C -2.360 173.358 175.900 -0.302 0.000 0.996 275 Y CA -2.768 55.202 58.100 -0.215 0.000 1.046 275 Y CB 1.656 40.032 38.460 -0.141 0.000 1.226 275 Y HN 0.396 nan 8.280 nan 0.000 0.445 276 P HA 0.157 nan 4.420 nan 0.000 0.275 276 P C -1.836 175.247 177.300 -0.361 0.000 1.228 276 P CA -1.244 61.597 63.100 -0.432 0.000 0.786 276 P CB 0.719 31.953 31.700 -0.777 0.000 0.927 277 P HA -0.239 nan 4.420 nan 0.000 0.218 277 P C 0.667 177.931 177.300 -0.061 0.000 1.150 277 P CA 1.661 64.710 63.100 -0.085 0.000 0.841 277 P CB -0.514 31.177 31.700 -0.016 0.000 0.784 278 H N -1.285 117.787 119.070 0.003 0.000 2.930 278 H HA 0.395 4.950 4.556 -0.000 0.000 0.307 278 H C -0.333 174.998 175.328 0.005 0.000 1.247 278 H CA -0.582 55.474 56.048 0.013 0.000 1.181 278 H CB -0.935 28.849 29.762 0.037 0.000 1.390 278 H HN 0.088 nan 8.280 nan 0.000 0.549 279 I N 2.212 122.728 120.570 -0.090 0.000 2.447 279 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 279 I C -2.239 173.803 176.117 -0.126 0.000 1.023 279 I CA -2.443 58.782 61.300 -0.126 0.000 1.083 279 I CB 2.124 39.983 38.000 -0.234 0.000 1.245 279 I HN 0.071 nan 8.210 nan 0.000 0.434 280 P HA 0.004 nan 4.420 nan 0.000 0.266 280 P C 0.798 178.030 177.300 -0.115 0.000 1.193 280 P CA 0.147 63.196 63.100 -0.086 0.000 0.770 280 P CB 0.699 32.357 31.700 -0.071 0.000 0.836 281 E N 3.253 123.414 120.200 -0.065 0.000 2.033 281 E HA -0.330 4.019 4.350 -0.000 0.000 0.199 281 E C 1.411 177.990 176.600 -0.035 0.000 1.011 281 E CA 1.837 58.208 56.400 -0.049 0.000 0.815 281 E CB -0.271 29.418 29.700 -0.018 0.000 0.755 281 E HN 0.474 nan 8.360 nan 0.000 0.451 282 N N 1.176 119.870 118.700 -0.009 0.000 2.519 282 N HA -0.180 4.559 4.740 -0.000 0.000 0.186 282 N C 1.920 177.492 175.510 0.103 0.000 1.062 282 N CA 0.995 54.073 53.050 0.048 0.000 0.910 282 N CB -0.348 38.161 38.487 0.038 0.000 0.958 282 N HN 0.310 nan 8.380 nan 0.000 0.445 283 L N 0.559 121.742 121.223 -0.067 0.000 2.162 283 L HA 0.126 4.466 4.340 -0.000 0.000 0.205 283 L C 0.476 177.097 176.870 -0.414 0.000 1.086 283 L CA 0.895 55.574 54.840 -0.269 0.000 0.778 283 L CB -0.912 40.956 42.059 -0.318 0.000 0.928 283 L HN 0.049 nan 8.230 nan 0.000 0.446 284 Q N 1.757 121.308 119.800 -0.415 0.000 2.388 284 Q HA 0.062 4.402 4.340 -0.000 0.000 0.246 284 Q C -0.979 175.122 176.000 0.169 0.000 1.246 284 Q CA -0.135 55.272 55.803 -0.659 0.000 0.895 284 Q CB -0.425 28.077 28.738 -0.393 0.000 1.510 284 Q HN 0.169 nan 8.270 nan 0.000 0.503 285 F N 0.564 120.537 119.950 0.039 0.000 2.429 285 F HA 0.153 4.680 4.527 -0.000 0.000 0.348 285 F C 1.149 177.096 175.800 0.245 0.000 1.109 285 F CA -0.866 57.228 58.000 0.158 0.000 1.232 285 F CB 0.635 39.723 39.000 0.146 0.000 1.157 285 F HN 0.471 nan 8.300 nan 0.000 0.564 286 A N 2.801 125.776 122.820 0.259 0.000 1.844 286 A HA 0.211 4.531 4.320 -0.000 0.000 0.212 286 A C 1.967 179.625 177.584 0.123 0.000 1.221 286 A CA 2.380 54.517 52.037 0.166 0.000 0.607 286 A CB -0.951 18.104 19.000 0.092 0.000 0.878 286 A HN 1.402 nan 8.150 nan 0.000 0.451 287 V N -3.721 116.254 119.914 0.102 0.000 0.506 287 V HA -0.363 3.757 4.120 -0.000 0.000 0.092 287 V C 2.017 178.108 176.094 -0.006 0.000 2.295 287 V CA 2.710 65.053 62.300 0.072 0.000 3.596 287 V CB -1.682 30.231 31.823 0.149 0.000 0.884 287 V HN 2.403 nan 8.190 nan 0.000 0.925 288 G N -0.935 107.838 108.800 -0.044 0.000 3.753 288 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.196 288 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.196 288 G C -0.050 174.736 174.900 -0.190 0.000 1.538 288 G CA 0.397 45.439 45.100 -0.097 0.000 1.040 288 G HN 1.213 nan 8.290 nan 0.000 0.427 289 Q N 1.856 121.442 119.800 -0.356 0.000 2.307 289 Q HA 0.346 4.686 4.340 -0.000 0.000 0.259 289 Q C 1.231 177.008 176.000 -0.372 0.000 0.998 289 Q CA 0.253 55.722 55.803 -0.557 0.000 0.923 289 Q CB 1.354 29.269 28.738 -1.371 0.000 1.196 289 Q HN 0.684 nan 8.270 nan 0.000 0.416 290 E N 2.382 122.438 120.200 -0.239 0.000 2.455 290 E HA -0.130 4.220 4.350 -0.000 0.000 0.202 290 E C 1.095 177.610 176.600 -0.141 0.000 1.045 290 E CA 0.551 56.857 56.400 -0.157 0.000 0.872 290 E CB -0.006 29.625 29.700 -0.116 0.000 0.792 290 E HN 0.282 nan 8.360 nan 0.000 0.542 291 V N -0.463 119.387 119.914 -0.106 0.000 3.645 291 V HA 0.042 4.162 4.120 -0.000 0.000 0.275 291 V C 0.447 176.660 176.094 0.197 0.000 1.356 291 V CA -0.051 62.264 62.300 0.024 0.000 1.051 291 V CB -0.189 31.697 31.823 0.105 0.000 0.828 291 V HN 0.159 nan 8.190 nan 0.000 0.441 292 F N 1.403 121.320 119.950 -0.054 0.000 2.605 292 F HA 0.040 4.566 4.527 -0.000 0.000 0.296 292 F C 2.128 177.893 175.800 -0.058 0.000 1.146 292 F CA 0.855 58.839 58.000 -0.027 0.000 1.478 292 F CB -1.386 37.626 39.000 0.020 0.000 1.107 292 F HN 0.282 nan 8.300 nan 0.000 0.600 293 G N -0.663 108.151 108.800 0.023 0.000 2.623 293 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.214 293 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.214 293 G C 1.567 176.470 174.900 0.005 0.000 1.138 293 G CA -0.066 44.991 45.100 -0.072 0.000 0.794 293 G HN 0.356 nan 8.290 nan 0.000 0.535 294 L N 0.509 121.744 121.223 0.019 0.000 2.610 294 L HA 0.215 4.555 4.340 -0.000 0.000 0.232 294 L C -0.289 176.625 176.870 0.074 0.000 1.149 294 L CA 0.058 55.005 54.840 0.178 0.000 0.872 294 L CB 0.252 42.446 42.059 0.225 0.000 0.992 294 L HN -0.077 nan 8.230 nan 0.000 0.447 295 V N -1.326 118.537 119.914 -0.084 0.000 2.653 295 V HA 0.187 4.307 4.120 -0.000 0.000 0.298 295 V C -1.879 173.939 176.094 -0.461 0.000 1.097 295 V CA -0.831 61.307 62.300 -0.270 0.000 0.908 295 V CB 2.086 33.791 31.823 -0.195 0.000 1.024 295 V HN -0.167 nan 8.190 nan 0.000 0.435 296 P HA -0.139 nan 4.420 nan 0.000 0.220 296 P C 1.580 178.525 177.300 -0.592 0.000 1.144 296 P CA 1.745 64.436 63.100 -0.681 0.000 0.800 296 P CB 0.336 31.469 31.700 -0.946 0.000 0.772 297 G N -0.236 108.051 108.800 -0.856 0.000 2.453 297 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 297 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 297 G C 1.302 175.825 174.900 -0.628 0.000 1.201 297 G CA 0.534 44.870 45.100 -1.272 0.000 0.784 297 G HN 0.098 nan 8.290 nan 0.000 0.545 298 L N 0.142 121.042 121.223 -0.538 0.000 1.956 298 L HA -0.064 4.276 4.340 -0.000 0.000 0.216 298 L C 2.800 179.535 176.870 -0.225 0.000 1.073 298 L CA 2.022 56.626 54.840 -0.394 0.000 0.762 298 L CB -1.320 40.438 42.059 -0.501 0.000 0.889 298 L HN 0.283 nan 8.230 nan 0.000 0.433 299 M N -1.294 118.203 119.600 -0.172 0.000 2.426 299 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 299 M C 2.040 178.286 176.300 -0.089 0.000 1.068 299 M CA 1.375 56.650 55.300 -0.042 0.000 1.066 299 M CB -0.353 32.206 32.600 -0.067 0.000 1.399 299 M HN 0.292 nan 8.290 nan 0.000 0.449 300 M N -1.604 117.855 119.600 -0.235 0.000 2.098 300 M HA -0.197 4.282 4.480 -0.000 0.000 0.262 300 M C 1.531 177.696 176.300 -0.225 0.000 1.072 300 M CA 1.775 56.890 55.300 -0.308 0.000 1.133 300 M CB -0.363 31.993 32.600 -0.408 0.000 1.344 300 M HN 0.249 nan 8.290 nan 0.000 0.414 301 Y N 0.695 120.860 120.300 -0.225 0.000 2.242 301 Y HA -0.047 4.503 4.550 -0.000 0.000 0.291 301 Y C 2.696 178.458 175.900 -0.230 0.000 1.137 301 Y CA 1.420 59.337 58.100 -0.304 0.000 1.181 301 Y CB -1.083 37.047 38.460 -0.550 0.000 0.989 301 Y HN 0.400 nan 8.280 nan 0.000 0.527 302 A N -0.463 122.355 122.820 -0.003 0.000 1.873 302 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 302 A C 2.289 179.963 177.584 0.149 0.000 1.193 302 A CA 2.577 54.720 52.037 0.177 0.000 0.629 302 A CB -1.293 17.850 19.000 0.239 0.000 0.826 302 A HN 0.409 nan 8.150 nan 0.000 0.447 303 T N 0.036 114.647 114.554 0.094 0.000 2.962 303 T HA -0.006 4.344 4.350 -0.000 0.000 0.270 303 T C 1.690 176.384 174.700 -0.010 0.000 1.088 303 T CA 1.310 63.443 62.100 0.056 0.000 1.127 303 T CB -0.344 68.573 68.868 0.082 0.000 0.883 303 T HN 0.442 nan 8.240 nan 0.000 0.493 304 I N -0.967 119.585 120.570 -0.030 0.000 2.277 304 I HA -0.050 4.120 4.170 -0.000 0.000 0.243 304 I C 2.175 178.263 176.117 -0.049 0.000 1.094 304 I CA 1.138 62.373 61.300 -0.109 0.000 1.393 304 I CB -0.224 37.657 38.000 -0.197 0.000 1.078 304 I HN 0.298 nan 8.210 nan 0.000 0.417 305 W N 0.804 122.129 121.300 0.042 0.000 2.381 305 W HA -0.142 4.518 4.660 -0.000 0.000 0.301 305 W C 2.444 178.987 176.519 0.039 0.000 1.205 305 W CA 0.535 57.914 57.345 0.056 0.000 1.285 305 W CB -0.329 29.161 29.460 0.049 0.000 1.133 305 W HN 0.073 nan 8.180 nan 0.000 0.521 306 L N 0.708 122.070 121.223 0.231 0.000 2.189 306 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 306 L C 2.376 179.323 176.870 0.129 0.000 1.097 306 L CA 1.629 56.556 54.840 0.145 0.000 0.764 306 L CB -0.218 41.894 42.059 0.088 0.000 0.900 306 L HN -0.041 nan 8.230 nan 0.000 0.436 307 R N -0.598 119.940 120.500 0.063 0.000 2.075 307 R HA -0.150 4.190 4.340 -0.000 0.000 0.226 307 R C 2.167 178.502 176.300 0.059 0.000 1.114 307 R CA 1.135 57.233 56.100 -0.004 0.000 0.972 307 R CB -0.177 30.069 30.300 -0.090 0.000 0.869 307 R HN 0.278 nan 8.270 nan 0.000 0.437 308 E N -0.059 120.207 120.200 0.109 0.000 2.058 308 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 308 E C 1.541 178.260 176.600 0.199 0.000 0.997 308 E CA 1.841 58.329 56.400 0.147 0.000 0.801 308 E CB -0.240 29.588 29.700 0.214 0.000 0.746 308 E HN 0.377 nan 8.360 nan 0.000 0.450 309 H N 0.004 119.199 119.070 0.208 0.000 2.371 309 H HA -0.208 4.348 4.556 -0.000 0.000 0.292 309 H C 2.042 177.463 175.328 0.155 0.000 1.066 309 H CA 2.798 58.968 56.048 0.203 0.000 1.153 309 H CB -0.530 29.363 29.762 0.219 0.000 1.375 309 H HN 0.108 nan 8.280 nan 0.000 0.558 310 Q N 0.139 120.059 119.800 0.200 0.000 2.182 310 Q HA -0.243 4.097 4.340 -0.000 0.000 0.213 310 Q C 2.524 178.548 176.000 0.039 0.000 1.000 310 Q CA 2.144 58.022 55.803 0.124 0.000 0.889 310 Q CB -0.371 28.442 28.738 0.125 0.000 0.932 310 Q HN 0.435 nan 8.270 nan 0.000 0.415 311 R N -0.565 119.954 120.500 0.031 0.000 2.070 311 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 311 R C 2.008 178.312 176.300 0.007 0.000 1.138 311 R CA 1.825 57.933 56.100 0.013 0.000 0.936 311 R CB -0.355 29.952 30.300 0.012 0.000 0.839 311 R HN 0.231 nan 8.270 nan 0.000 0.429 312 V N 0.491 120.409 119.914 0.006 0.000 2.469 312 V HA -0.336 3.784 4.120 -0.000 0.000 0.251 312 V C 2.594 178.681 176.094 -0.012 0.000 1.064 312 V CA 1.685 63.988 62.300 0.005 0.000 1.066 312 V CB -0.673 31.162 31.823 0.020 0.000 0.667 312 V HN 0.535 nan 8.190 nan 0.000 0.461 313 C N 0.260 119.529 119.300 -0.052 0.000 2.413 313 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 313 C C 2.514 177.526 174.990 0.036 0.000 1.265 313 C CA 1.207 60.222 59.018 -0.005 0.000 1.752 313 C CB -1.066 26.678 27.740 0.008 0.000 1.998 313 C HN 0.640 nan 8.230 nan 0.000 0.489 314 D N 0.499 120.913 120.400 0.024 0.000 2.103 314 D HA -0.063 4.577 4.640 -0.000 0.000 0.199 314 D C 1.797 178.094 176.300 -0.005 0.000 0.978 314 D CA 1.090 55.102 54.000 0.020 0.000 0.829 314 D CB -0.354 40.456 40.800 0.017 0.000 0.981 314 D HN 0.346 nan 8.370 nan 0.000 0.464 315 I N 0.900 121.464 120.570 -0.010 0.000 2.423 315 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 315 I C 2.107 178.185 176.117 -0.065 0.000 1.151 315 I CA 0.696 61.978 61.300 -0.030 0.000 1.421 315 I CB -0.085 37.907 38.000 -0.013 0.000 1.079 315 I HN -0.013 nan 8.210 nan 0.000 0.431 316 L N -0.085 121.112 121.223 -0.042 0.000 2.130 316 L HA -0.045 4.295 4.340 -0.000 0.000 0.200 316 L C 2.395 179.186 176.870 -0.131 0.000 1.075 316 L CA 1.474 56.257 54.840 -0.095 0.000 0.768 316 L CB -1.207 40.872 42.059 0.034 0.000 0.933 316 L HN 0.181 nan 8.230 nan 0.000 0.451 317 K N -0.617 119.773 120.400 -0.015 0.000 2.089 317 K HA -0.228 4.091 4.320 -0.000 0.000 0.210 317 K C 1.266 177.836 176.600 -0.050 0.000 1.048 317 K CA 1.507 57.800 56.287 0.010 0.000 0.926 317 K CB 0.061 32.597 32.500 0.061 0.000 0.714 317 K HN 0.160 nan 8.250 nan 0.000 0.448 318 Q N 0.116 119.874 119.800 -0.070 0.000 2.225 318 Q HA 0.070 4.410 4.340 -0.000 0.000 0.222 318 Q C 0.256 176.165 176.000 -0.152 0.000 0.887 318 Q CA 0.409 56.163 55.803 -0.083 0.000 0.958 318 Q CB 1.233 29.942 28.738 -0.048 0.000 1.058 318 Q HN 0.353 nan 8.270 nan 0.000 0.459 319 E N -0.998 119.044 120.200 -0.265 0.000 2.536 319 E HA 0.100 4.450 4.350 -0.000 0.000 0.220 319 E C -0.337 175.816 176.600 -0.746 0.000 0.876 319 E CA 0.220 56.347 56.400 -0.456 0.000 1.190 319 E CB 0.736 30.126 29.700 -0.517 0.000 1.191 319 E HN 0.375 nan 8.360 nan 0.000 0.557 320 H N 0.129 118.950 119.070 -0.414 0.000 2.806 320 H HA 0.119 4.675 4.556 -0.000 0.000 0.218 320 H C -1.901 173.282 175.328 -0.241 0.000 1.392 320 H CA -0.992 54.712 56.048 -0.573 0.000 1.358 320 H CB 1.198 29.970 29.762 -1.649 0.000 1.944 320 H HN -0.028 nan 8.280 nan 0.000 0.530 321 P HA -0.220 nan 4.420 nan 0.000 0.220 321 P C 0.580 177.947 177.300 0.111 0.000 1.144 321 P CA 1.295 64.423 63.100 0.046 0.000 0.800 321 P CB 0.392 32.106 31.700 0.022 0.000 0.772 322 E N -2.750 117.537 120.200 0.145 0.000 2.476 322 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 322 E C 0.223 177.030 176.600 0.344 0.000 1.064 322 E CA -0.172 56.348 56.400 0.200 0.000 0.866 322 E CB -0.614 29.192 29.700 0.176 0.000 0.952 322 E HN 0.210 nan 8.360 nan 0.000 0.492 323 W N 1.232 122.573 121.300 0.068 0.000 2.359 323 W HA 0.666 5.326 4.660 -0.001 0.000 0.344 323 W C 1.029 177.580 176.519 0.053 0.000 1.170 323 W CA -0.976 56.393 57.345 0.040 0.000 1.296 323 W CB 0.969 30.464 29.460 0.058 0.000 1.197 323 W HN 0.055 nan 8.180 nan 0.000 0.618 324 G N 0.509 109.425 108.800 0.193 0.000 2.613 324 G HA2 0.170 4.130 3.960 -0.000 0.000 0.303 324 G HA3 0.170 4.130 3.960 -0.000 0.000 0.303 324 G C 0.164 175.159 174.900 0.159 0.000 1.312 324 G CA -0.215 44.967 45.100 0.136 0.000 1.036 324 G HN 0.434 nan 8.290 nan 0.000 0.513 325 D N -0.694 119.794 120.400 0.148 0.000 2.137 325 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 325 D C 2.131 178.544 176.300 0.190 0.000 0.993 325 D CA 1.747 55.858 54.000 0.185 0.000 0.846 325 D CB 0.075 40.992 40.800 0.197 0.000 0.990 325 D HN 0.350 nan 8.370 nan 0.000 0.448 326 E N -0.125 120.159 120.200 0.140 0.000 2.136 326 E HA -0.321 4.029 4.350 -0.000 0.000 0.208 326 E C 2.092 178.761 176.600 0.114 0.000 1.035 326 E CA 1.452 57.928 56.400 0.126 0.000 0.838 326 E CB -0.412 29.322 29.700 0.057 0.000 0.748 326 E HN 0.556 nan 8.360 nan 0.000 0.459 327 Q N 0.130 119.911 119.800 -0.032 0.000 2.079 327 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 327 Q C 2.536 178.555 176.000 0.032 0.000 0.974 327 Q CA 0.731 56.404 55.803 -0.216 0.000 0.840 327 Q CB -0.019 28.258 28.738 -0.769 0.000 0.898 327 Q HN 0.251 nan 8.270 nan 0.000 0.430 328 L N -0.058 121.322 121.223 0.262 0.000 2.012 328 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 328 L C 2.270 179.318 176.870 0.296 0.000 1.073 328 L CA 1.417 56.502 54.840 0.409 0.000 0.748 328 L CB -0.596 41.682 42.059 0.364 0.000 0.891 328 L HN 0.315 nan 8.230 nan 0.000 0.431 329 F N 0.789 120.834 119.950 0.158 0.000 1.988 329 F HA -0.309 4.218 4.527 -0.000 0.000 0.296 329 F C 2.828 178.702 175.800 0.123 0.000 1.178 329 F CA 1.754 59.859 58.000 0.175 0.000 1.174 329 F CB -0.462 38.604 39.000 0.109 0.000 0.963 329 F HN 0.033 nan 8.300 nan 0.000 0.489 330 Q N 0.032 120.055 119.800 0.371 0.000 2.224 330 Q HA -0.239 4.101 4.340 -0.000 0.000 0.213 330 Q C 2.088 178.121 176.000 0.055 0.000 0.998 330 Q CA 2.542 58.446 55.803 0.167 0.000 0.895 330 Q CB -1.349 27.497 28.738 0.180 0.000 0.926 330 Q HN 0.546 nan 8.270 nan 0.000 0.417 331 T N 0.759 115.379 114.554 0.110 0.000 2.698 331 T HA -0.079 4.271 4.350 -0.000 0.000 0.260 331 T C 2.203 177.012 174.700 0.182 0.000 1.044 331 T CA 1.341 63.563 62.100 0.203 0.000 1.149 331 T CB -0.287 68.823 68.868 0.403 0.000 0.864 331 T HN 0.242 nan 8.240 nan 0.000 0.419 332 S N 1.353 117.112 115.700 0.099 0.000 2.369 332 S HA -0.224 4.245 4.470 -0.000 0.000 0.225 332 S C 2.019 176.645 174.600 0.044 0.000 1.043 332 S CA 1.793 59.997 58.200 0.006 0.000 1.074 332 S CB -0.424 62.610 63.200 -0.277 0.000 0.962 332 S HN 0.550 nan 8.310 nan 0.000 0.433 333 K N 0.859 121.183 120.400 -0.126 0.000 2.160 333 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 333 K C 1.969 178.598 176.600 0.049 0.000 1.047 333 K CA 1.086 57.252 56.287 -0.201 0.000 0.930 333 K CB -0.235 31.799 32.500 -0.778 0.000 0.720 333 K HN 0.312 nan 8.250 nan 0.000 0.450 334 L N 0.468 121.770 121.223 0.131 0.000 2.072 334 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 334 L C 2.339 179.410 176.870 0.335 0.000 1.079 334 L CA 1.026 56.045 54.840 0.299 0.000 0.752 334 L CB -0.259 42.049 42.059 0.415 0.000 0.906 334 L HN 0.245 nan 8.230 nan 0.000 0.436 335 I N -0.537 120.200 120.570 0.279 0.000 2.226 335 I HA -0.322 3.847 4.170 -0.000 0.000 0.245 335 I C 2.333 178.563 176.117 0.187 0.000 1.100 335 I CA 1.052 62.452 61.300 0.166 0.000 1.374 335 I CB -0.177 37.918 38.000 0.159 0.000 1.057 335 I HN 0.197 nan 8.210 nan 0.000 0.413 336 L N 0.353 121.713 121.223 0.228 0.000 2.083 336 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 336 L C 2.291 179.254 176.870 0.154 0.000 1.083 336 L CA 1.750 56.739 54.840 0.249 0.000 0.752 336 L CB -0.598 41.628 42.059 0.279 0.000 0.899 336 L HN 0.191 nan 8.230 nan 0.000 0.433 337 I N -1.126 119.538 120.570 0.157 0.000 2.756 337 I HA -0.173 3.997 4.170 -0.000 0.000 0.262 337 I C 2.309 178.532 176.117 0.177 0.000 1.225 337 I CA 1.001 62.377 61.300 0.127 0.000 1.472 337 I CB -0.856 37.235 38.000 0.152 0.000 1.094 337 I HN 0.331 nan 8.210 nan 0.000 0.454 338 G N 0.578 109.512 108.800 0.222 0.000 2.404 338 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.213 338 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.213 338 G C 1.461 176.508 174.900 0.244 0.000 1.189 338 G CA 0.151 45.425 45.100 0.290 0.000 0.796 338 G HN 0.329 nan 8.290 nan 0.000 0.532 339 E N 0.051 120.400 120.200 0.248 0.000 2.021 339 E HA -0.163 4.186 4.350 -0.000 0.000 0.200 339 E C 2.729 179.515 176.600 0.310 0.000 1.015 339 E CA 1.686 58.266 56.400 0.301 0.000 0.824 339 E CB -0.504 29.451 29.700 0.425 0.000 0.762 339 E HN 0.254 nan 8.360 nan 0.000 0.454 340 T N 1.432 116.179 114.554 0.322 0.000 2.653 340 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 340 T C 1.915 176.707 174.700 0.153 0.000 1.037 340 T CA 1.501 63.768 62.100 0.277 0.000 1.159 340 T CB -0.291 68.609 68.868 0.053 0.000 0.859 340 T HN 0.148 nan 8.240 nan 0.000 0.449 341 I N 0.387 120.955 120.570 -0.003 0.000 2.353 341 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 341 I C 2.528 178.362 176.117 -0.472 0.000 1.119 341 I CA 1.144 62.275 61.300 -0.280 0.000 1.417 341 I CB -0.333 37.379 38.000 -0.480 0.000 1.078 341 I HN 0.172 nan 8.210 nan 0.000 0.421 342 K N 1.916 122.122 120.400 -0.323 0.000 2.057 342 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 342 K C 1.778 178.398 176.600 0.033 0.000 1.049 342 K CA 1.630 57.870 56.287 -0.078 0.000 0.931 342 K CB -0.328 32.296 32.500 0.206 0.000 0.714 342 K HN 0.216 nan 8.250 nan 0.000 0.440 343 I N -0.105 120.526 120.570 0.101 0.000 2.086 343 I HA -0.261 3.909 4.170 -0.000 0.000 0.233 343 I C 2.017 178.202 176.117 0.114 0.000 1.060 343 I CA 1.142 62.526 61.300 0.140 0.000 1.326 343 I CB -0.459 37.693 38.000 0.253 0.000 1.067 343 I HN -0.092 nan 8.210 nan 0.000 0.398 344 V N 1.491 121.443 119.914 0.064 0.000 2.495 344 V HA -0.325 3.794 4.120 -0.000 0.000 0.260 344 V C 2.137 178.266 176.094 0.058 0.000 1.097 344 V CA 1.686 63.931 62.300 -0.091 0.000 1.105 344 V CB -0.671 30.907 31.823 -0.409 0.000 0.678 344 V HN 0.356 nan 8.190 nan 0.000 0.469 345 I N -0.892 119.695 120.570 0.028 0.000 2.628 345 I HA -0.020 4.150 4.170 -0.000 0.000 0.255 345 I C 2.265 178.455 176.117 0.123 0.000 1.119 345 I CA 1.084 62.432 61.300 0.080 0.000 1.448 345 I CB -0.731 37.286 38.000 0.029 0.000 1.133 345 I HN 0.380 nan 8.210 nan 0.000 0.438 346 E N 0.460 120.725 120.200 0.109 0.000 2.442 346 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 346 E C 0.790 177.456 176.600 0.111 0.000 1.030 346 E CA 0.428 56.889 56.400 0.101 0.000 0.869 346 E CB 0.514 30.268 29.700 0.090 0.000 0.857 346 E HN 0.467 nan 8.360 nan 0.000 0.505 347 D N -0.633 119.866 120.400 0.164 0.000 3.061 347 D HA -0.042 4.598 4.640 -0.000 0.000 0.243 347 D C 1.372 177.896 176.300 0.373 0.000 1.572 347 D CA -0.114 54.014 54.000 0.213 0.000 1.269 347 D CB -0.847 40.041 40.800 0.147 0.000 1.023 347 D HN -0.058 nan 8.370 nan 0.000 0.280 348 Y N 2.773 123.235 120.300 0.270 0.000 1.795 348 Y HA -0.387 4.163 4.550 -0.000 0.000 0.207 348 Y C 2.413 178.442 175.900 0.215 0.000 1.043 348 Y CA 2.165 60.339 58.100 0.123 0.000 0.973 348 Y CB -0.770 37.640 38.460 -0.084 0.000 0.847 348 Y HN -0.192 nan 8.280 nan 0.000 0.548 349 V N 0.369 120.552 119.914 0.447 0.000 2.313 349 V HA -0.416 3.704 4.120 -0.000 0.000 0.253 349 V C 2.304 178.487 176.094 0.150 0.000 1.070 349 V CA 2.338 64.810 62.300 0.287 0.000 1.057 349 V CB -1.059 30.932 31.823 0.280 0.000 0.653 349 V HN 0.593 nan 8.190 nan 0.000 0.450 350 Q N -0.352 119.540 119.800 0.153 0.000 2.045 350 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 350 Q C 2.290 178.325 176.000 0.057 0.000 0.991 350 Q CA 2.431 58.281 55.803 0.078 0.000 0.851 350 Q CB -0.535 28.256 28.738 0.089 0.000 0.911 350 Q HN 0.833 nan 8.270 nan 0.000 0.418 351 H N -0.251 118.837 119.070 0.030 0.000 2.256 351 H HA -0.138 4.417 4.556 -0.000 0.000 0.299 351 H C 1.855 177.118 175.328 -0.109 0.000 1.071 351 H CA 1.807 57.845 56.048 -0.016 0.000 1.280 351 H CB -0.651 29.158 29.762 0.078 0.000 1.370 351 H HN 0.384 nan 8.280 nan 0.000 0.490 352 L N 1.735 123.151 121.223 0.323 0.000 2.456 352 L HA -0.168 4.172 4.340 -0.000 0.000 0.225 352 L C 2.332 179.168 176.870 -0.057 0.000 1.142 352 L CA 2.015 56.933 54.840 0.129 0.000 0.796 352 L CB -0.639 41.539 42.059 0.198 0.000 0.920 352 L HN 0.507 nan 8.230 nan 0.000 0.446 353 S N -2.732 112.875 115.700 -0.156 0.000 2.506 353 S HA 0.296 4.766 4.470 -0.000 0.000 0.219 353 S C 1.669 176.071 174.600 -0.329 0.000 1.031 353 S CA 0.238 58.217 58.200 -0.368 0.000 0.911 353 S CB 0.034 62.728 63.200 -0.843 0.000 0.812 353 S HN 0.611 nan 8.310 nan 0.000 0.497 354 G N 0.767 109.403 108.800 -0.274 0.000 2.186 354 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.266 354 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.266 354 G C -0.036 174.739 174.900 -0.209 0.000 0.982 354 G CA 0.593 45.535 45.100 -0.263 0.000 0.670 354 G HN 0.509 nan 8.290 nan 0.000 0.533 355 Y N -0.444 119.700 120.300 -0.259 0.000 2.550 355 Y HA 0.254 4.804 4.550 -0.000 0.000 0.343 355 Y C 1.753 177.437 175.900 -0.360 0.000 1.245 355 Y CA 0.255 58.165 58.100 -0.317 0.000 1.462 355 Y CB 0.252 38.600 38.460 -0.188 0.000 1.340 355 Y HN 0.321 nan 8.280 nan 0.000 0.604 356 H N 0.689 119.606 119.070 -0.255 0.000 2.547 356 H HA 0.033 4.588 4.556 -0.000 0.000 0.272 356 H C 0.018 175.186 175.328 -0.268 0.000 0.971 356 H CA -0.235 55.667 56.048 -0.243 0.000 1.245 356 H CB 0.267 29.915 29.762 -0.190 0.000 1.440 356 H HN 0.391 nan 8.280 nan 0.000 0.540 357 F N 2.427 122.015 119.950 -0.602 0.000 2.484 357 F HA 0.122 4.649 4.527 -0.000 0.000 0.360 357 F C 0.288 176.040 175.800 -0.080 0.000 1.101 357 F CA -0.517 57.237 58.000 -0.410 0.000 1.251 357 F CB 0.509 39.076 39.000 -0.721 0.000 1.132 357 F HN -0.249 nan 8.300 nan 0.000 0.570 358 K N 8.036 127.860 120.400 -0.961 0.000 2.219 358 K HA 0.237 4.557 4.320 -0.000 0.000 0.280 358 K C -0.315 175.767 176.600 -0.863 0.000 1.104 358 K CA -0.356 55.527 56.287 -0.674 0.000 0.925 358 K CB -0.003 32.276 32.500 -0.369 0.000 1.261 358 K HN 0.700 nan 8.250 nan 0.000 0.445 359 L N 2.885 123.851 121.223 -0.428 0.000 2.516 359 L HA -0.012 4.328 4.340 -0.000 0.000 0.288 359 L C 0.466 177.295 176.870 -0.070 0.000 1.246 359 L CA 0.834 55.596 54.840 -0.131 0.000 0.844 359 L CB 0.061 42.160 42.059 0.067 0.000 1.106 359 L HN 0.532 nan 8.230 nan 0.000 0.509 360 K N 1.621 122.055 120.400 0.057 0.000 2.468 360 K HA 0.355 4.675 4.320 -0.000 0.000 0.252 360 K C -1.493 175.210 176.600 0.172 0.000 0.932 360 K CA -0.718 55.623 56.287 0.090 0.000 0.794 360 K CB 1.817 34.363 32.500 0.076 0.000 1.241 360 K HN 0.274 nan 8.250 nan 0.000 0.428 361 F N 4.076 124.019 119.950 -0.010 0.000 2.334 361 F HA 0.360 4.887 4.527 -0.000 0.000 0.367 361 F C -1.013 174.725 175.800 -0.104 0.000 1.115 361 F CA -0.976 56.993 58.000 -0.052 0.000 1.116 361 F CB 0.661 39.646 39.000 -0.024 0.000 1.230 361 F HN 0.488 nan 8.300 nan 0.000 0.484 362 D N 8.247 128.414 120.400 -0.388 0.000 2.381 362 D HA 0.358 4.998 4.640 -0.000 0.000 0.245 362 D C -2.236 173.665 176.300 -0.664 0.000 1.297 362 D CA -1.931 51.754 54.000 -0.524 0.000 0.931 362 D CB 1.722 42.391 40.800 -0.219 0.000 1.334 362 D HN 0.167 nan 8.370 nan 0.000 0.535 363 P HA -0.173 nan 4.420 nan 0.000 0.217 363 P C 0.677 177.337 177.300 -1.066 0.000 1.151 363 P CA 1.141 63.670 63.100 -0.951 0.000 0.849 363 P CB 0.250 31.127 31.700 -1.372 0.000 0.787 364 E N -0.919 118.612 120.200 -1.115 0.000 2.463 364 E HA -0.114 4.235 4.350 -0.000 0.000 0.201 364 E C 1.597 177.820 176.600 -0.629 0.000 1.045 364 E CA 0.517 56.150 56.400 -1.279 0.000 0.872 364 E CB -0.534 28.922 29.700 -0.406 0.000 0.797 364 E HN 0.374 nan 8.360 nan 0.000 0.538 365 L N -0.045 120.924 121.223 -0.424 0.000 2.341 365 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 365 L C 2.043 178.837 176.870 -0.127 0.000 1.115 365 L CA 0.439 55.169 54.840 -0.183 0.000 0.820 365 L CB 0.043 42.027 42.059 -0.125 0.000 0.944 365 L HN 0.148 nan 8.230 nan 0.000 0.452 366 L N -1.612 119.497 121.223 -0.190 0.000 2.567 366 L HA 0.022 4.362 4.340 -0.000 0.000 0.225 366 L C 2.110 179.110 176.870 0.216 0.000 1.119 366 L CA -0.233 54.562 54.840 -0.075 0.000 0.871 366 L CB -0.089 41.787 42.059 -0.304 0.000 1.036 366 L HN 0.114 nan 8.230 nan 0.000 0.459 367 F N 1.749 121.755 119.950 0.094 0.000 2.025 367 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 367 F C 2.385 178.259 175.800 0.124 0.000 1.132 367 F CA 1.418 59.500 58.000 0.137 0.000 1.191 367 F CB -1.210 37.860 39.000 0.116 0.000 0.963 367 F HN 0.375 nan 8.300 nan 0.000 0.481 368 N N 0.610 119.489 118.700 0.297 0.000 2.551 368 N HA -0.107 4.632 4.740 -0.000 0.000 0.199 368 N C -0.093 175.512 175.510 0.159 0.000 1.277 368 N CA 0.287 53.451 53.050 0.190 0.000 0.870 368 N CB -0.311 38.264 38.487 0.146 0.000 1.028 368 N HN 0.329 nan 8.380 nan 0.000 0.452 369 Q N 0.393 120.303 119.800 0.183 0.000 2.348 369 Q HA 0.324 4.664 4.340 -0.000 0.000 0.271 369 Q C -0.716 175.400 176.000 0.192 0.000 1.067 369 Q CA -0.649 55.245 55.803 0.152 0.000 0.839 369 Q CB 1.941 30.742 28.738 0.105 0.000 1.354 369 Q HN 0.206 nan 8.270 nan 0.000 0.447 370 Q N 1.316 121.212 119.800 0.161 0.000 2.364 370 Q HA 0.448 4.788 4.340 -0.000 0.000 0.267 370 Q C -0.964 175.184 176.000 0.247 0.000 0.999 370 Q CA 0.301 56.203 55.803 0.166 0.000 0.886 370 Q CB 0.687 29.491 28.738 0.111 0.000 1.243 370 Q HN 0.537 nan 8.270 nan 0.000 0.415 371 F N 0.383 120.329 119.950 -0.007 0.000 2.686 371 F HA 0.059 4.585 4.527 -0.000 0.000 0.315 371 F C -1.827 173.864 175.800 -0.182 0.000 1.088 371 F CA -0.799 57.123 58.000 -0.130 0.000 1.034 371 F CB 1.270 40.131 39.000 -0.233 0.000 1.280 371 F HN 0.325 nan 8.300 nan 0.000 0.463 372 Q N 5.194 124.422 119.800 -0.953 0.000 2.331 372 Q HA 0.226 4.566 4.340 -0.000 0.000 0.257 372 Q C -1.101 174.365 176.000 -0.891 0.000 0.957 372 Q CA -0.261 55.147 55.803 -0.657 0.000 0.923 372 Q CB 0.963 29.454 28.738 -0.411 0.000 1.212 372 Q HN 0.671 nan 8.270 nan 0.000 0.443 373 Y N 2.690 122.841 120.300 -0.250 0.000 2.851 373 Y HA 0.034 4.583 4.550 -0.000 0.000 0.369 373 Y C 0.840 176.676 175.900 -0.107 0.000 1.226 373 Y CA -0.052 57.993 58.100 -0.091 0.000 1.949 373 Y CB 0.118 38.628 38.460 0.083 0.000 2.059 373 Y HN 0.393 nan 8.280 nan 0.000 0.420 374 Q N 0.030 119.746 119.800 -0.140 0.000 2.482 374 Q HA 0.514 4.854 4.340 -0.000 0.000 0.286 374 Q C -1.966 173.948 176.000 -0.144 0.000 1.007 374 Q CA -1.216 54.528 55.803 -0.099 0.000 0.801 374 Q CB 2.368 31.057 28.738 -0.083 0.000 1.455 374 Q HN 0.322 nan 8.270 nan 0.000 0.398 375 N N 0.001 118.634 118.700 -0.113 0.000 2.367 375 N HA 0.540 5.280 4.740 -0.000 0.000 0.278 375 N C -2.153 173.314 175.510 -0.071 0.000 1.117 375 N CA -0.469 52.519 53.050 -0.102 0.000 0.867 375 N CB 2.295 40.720 38.487 -0.102 0.000 1.649 375 N HN 0.596 nan 8.380 nan 0.000 0.479 376 R N 2.813 123.299 120.500 -0.024 0.000 2.502 376 R HA 0.482 4.822 4.340 -0.000 0.000 0.300 376 R C -0.775 175.649 176.300 0.208 0.000 0.984 376 R CA -0.748 55.413 56.100 0.101 0.000 0.882 376 R CB 0.598 30.876 30.300 -0.038 0.000 1.180 376 R HN 0.642 nan 8.270 nan 0.000 0.444 377 I N 2.002 122.753 120.570 0.302 0.000 2.452 377 I HA 0.528 4.697 4.170 -0.000 0.000 0.287 377 I C 0.001 176.341 176.117 0.372 0.000 1.079 377 I CA -0.440 61.019 61.300 0.265 0.000 1.387 377 I CB 1.358 39.497 38.000 0.231 0.000 1.404 377 I HN 0.636 nan 8.210 nan 0.000 0.522 378 A N 5.084 128.078 122.820 0.290 0.000 2.304 378 A HA 0.381 4.701 4.320 -0.000 0.000 0.271 378 A C 1.242 178.858 177.584 0.054 0.000 1.091 378 A CA -0.280 51.884 52.037 0.213 0.000 0.812 378 A CB 0.861 20.015 19.000 0.258 0.000 1.056 378 A HN 0.922 nan 8.150 nan 0.000 0.489 379 S N 0.716 116.410 115.700 -0.010 0.000 2.354 379 S HA -0.165 4.305 4.470 -0.000 0.000 0.219 379 S C 1.867 176.376 174.600 -0.152 0.000 1.035 379 S CA 1.675 59.769 58.200 -0.177 0.000 1.037 379 S CB -0.445 62.749 63.200 -0.010 0.000 0.956 379 S HN 0.853 nan 8.310 nan 0.000 0.428 380 E N 0.735 120.902 120.200 -0.056 0.000 2.253 380 E HA -0.239 4.110 4.350 -0.000 0.000 0.202 380 E C 1.666 178.084 176.600 -0.303 0.000 1.014 380 E CA 1.184 57.520 56.400 -0.107 0.000 0.823 380 E CB -0.539 29.158 29.700 -0.005 0.000 0.736 380 E HN 0.588 nan 8.360 nan 0.000 0.478 381 F N 2.440 121.974 119.950 -0.693 0.000 2.270 381 F HA 0.027 4.554 4.527 -0.000 0.000 0.295 381 F C 2.019 177.530 175.800 -0.483 0.000 1.087 381 F CA 0.745 58.341 58.000 -0.674 0.000 1.365 381 F CB -0.318 38.285 39.000 -0.662 0.000 1.056 381 F HN -0.072 nan 8.300 nan 0.000 0.506 382 N N 0.025 118.316 118.700 -0.681 0.000 2.058 382 N HA -0.175 4.564 4.740 -0.000 0.000 0.191 382 N C 1.699 176.729 175.510 -0.801 0.000 1.037 382 N CA 2.197 54.365 53.050 -1.469 0.000 0.848 382 N CB -0.479 37.392 38.487 -1.026 0.000 1.021 382 N HN 0.255 nan 8.380 nan 0.000 0.422 383 T N 2.602 116.894 114.554 -0.436 0.000 2.570 383 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 383 T C 2.027 176.647 174.700 -0.133 0.000 1.071 383 T CA 2.302 64.220 62.100 -0.303 0.000 1.172 383 T CB -0.633 68.033 68.868 -0.336 0.000 0.864 383 T HN 0.430 nan 8.240 nan 0.000 0.421 384 L N -0.922 120.226 121.223 -0.125 0.000 2.263 384 L HA -0.021 4.319 4.340 -0.000 0.000 0.216 384 L C 1.936 178.817 176.870 0.017 0.000 1.111 384 L CA 1.622 56.465 54.840 0.006 0.000 0.773 384 L CB -1.340 40.712 42.059 -0.013 0.000 0.906 384 L HN 0.180 nan 8.230 nan 0.000 0.439 385 Y N -0.386 119.657 120.300 -0.428 0.000 2.477 385 Y HA 0.076 4.626 4.550 -0.000 0.000 0.303 385 Y C 0.575 176.036 175.900 -0.731 0.000 1.202 385 Y CA -0.011 57.575 58.100 -0.856 0.000 1.282 385 Y CB -0.572 37.272 38.460 -1.026 0.000 1.071 385 Y HN 0.290 nan 8.280 nan 0.000 0.510 386 H N -0.825 118.116 119.070 -0.214 0.000 2.970 386 H HA 0.014 4.570 4.556 -0.000 0.000 0.226 386 H C -0.485 174.917 175.328 0.124 0.000 1.909 386 H CA -0.358 55.589 56.048 -0.169 0.000 1.388 386 H CB -0.664 29.018 29.762 -0.133 0.000 1.773 386 H HN 0.238 nan 8.280 nan 0.000 0.559 387 W N 1.022 122.277 121.300 -0.075 0.000 2.564 387 W HA 0.095 4.754 4.660 -0.000 0.000 0.447 387 W C 0.663 177.212 176.519 0.050 0.000 0.701 387 W CA -0.546 56.820 57.345 0.036 0.000 2.223 387 W CB -1.422 28.096 29.460 0.096 0.000 0.990 387 W HN 0.729 nan 8.180 nan 0.000 0.698 388 H N 0.929 120.245 119.070 0.410 0.000 2.387 388 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 388 H C -0.360 175.127 175.328 0.264 0.000 1.099 388 H CA 1.915 58.156 56.048 0.322 0.000 1.315 388 H CB -1.194 28.749 29.762 0.300 0.000 1.380 388 H HN -0.002 nan 8.280 nan 0.000 0.513 389 P HA -0.213 nan 4.420 nan 0.000 0.218 389 P C 1.267 178.668 177.300 0.167 0.000 1.152 389 P CA 1.270 64.479 63.100 0.182 0.000 0.857 389 P CB -0.069 31.679 31.700 0.080 0.000 0.787 390 L N -1.934 119.397 121.223 0.180 0.000 2.129 390 L HA -0.166 4.173 4.340 -0.000 0.000 0.212 390 L C 1.221 178.191 176.870 0.167 0.000 1.087 390 L CA 0.600 55.526 54.840 0.142 0.000 0.757 390 L CB -0.848 41.339 42.059 0.213 0.000 0.896 390 L HN 0.012 nan 8.230 nan 0.000 0.434 391 L N 1.510 122.872 121.223 0.233 0.000 2.540 391 L HA 0.041 4.380 4.340 -0.000 0.000 0.276 391 L C -1.651 175.324 176.870 0.175 0.000 1.212 391 L CA -1.223 53.753 54.840 0.228 0.000 0.893 391 L CB -0.021 42.297 42.059 0.432 0.000 1.138 391 L HN -0.063 nan 8.230 nan 0.000 0.491 392 P HA 0.065 nan 4.420 nan 0.000 0.279 392 P C -0.409 176.702 177.300 -0.316 0.000 1.282 392 P CA -0.397 62.479 63.100 -0.374 0.000 0.788 392 P CB 1.121 32.468 31.700 -0.588 0.000 1.139 393 D N -1.362 118.782 120.400 -0.426 0.000 2.271 393 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 393 D C 0.624 176.782 176.300 -0.237 0.000 0.967 393 D CA 1.369 55.254 54.000 -0.192 0.000 0.867 393 D CB 0.224 40.899 40.800 -0.208 0.000 0.960 393 D HN 0.512 nan 8.370 nan 0.000 0.509 394 T N -2.148 112.101 114.554 -0.509 0.000 2.864 394 T HA 0.544 4.894 4.350 -0.000 0.000 0.299 394 T C -0.787 173.422 174.700 -0.818 0.000 1.166 394 T CA -0.839 60.943 62.100 -0.530 0.000 1.007 394 T CB 1.313 70.023 68.868 -0.264 0.000 1.219 394 T HN -0.242 nan 8.240 nan 0.000 0.506 395 F N 2.087 121.861 119.950 -0.294 0.000 2.311 395 F HA 0.444 4.971 4.527 -0.000 0.000 0.371 395 F C 0.529 176.280 175.800 -0.083 0.000 1.083 395 F CA -1.162 56.612 58.000 -0.376 0.000 1.113 395 F CB 0.670 38.950 39.000 -1.201 0.000 1.349 395 F HN 0.697 nan 8.300 nan 0.000 0.470 396 N N 3.980 122.719 118.700 0.066 0.000 2.406 396 N HA 0.310 5.050 4.740 -0.000 0.000 0.251 396 N C -0.629 174.890 175.510 0.016 0.000 1.069 396 N CA -0.069 52.996 53.050 0.025 0.000 0.947 396 N CB 0.441 38.904 38.487 -0.040 0.000 1.111 396 N HN 0.592 nan 8.380 nan 0.000 0.497 397 I N 2.743 123.253 120.570 -0.099 0.000 2.517 397 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 397 I C -0.107 175.848 176.117 -0.272 0.000 1.149 397 I CA -0.485 60.568 61.300 -0.412 0.000 1.189 397 I CB -0.455 36.976 38.000 -0.949 0.000 1.641 397 I HN 0.629 nan 8.210 nan 0.000 0.560 398 E N 3.243 123.364 120.200 -0.132 0.000 0.756 398 E HA -0.297 4.053 4.350 -0.000 0.000 0.359 398 E C 0.126 176.703 176.600 -0.038 0.000 1.101 398 E CA 0.976 57.338 56.400 -0.064 0.000 1.353 398 E CB -0.245 29.431 29.700 -0.039 0.000 0.362 398 E HN 0.702 nan 8.360 nan 0.000 0.361 399 D N 1.402 121.784 120.400 -0.030 0.000 3.062 399 D HA -0.146 4.493 4.640 -0.000 0.000 0.216 399 D C -0.906 175.382 176.300 -0.020 0.000 1.097 399 D CA 1.531 55.524 54.000 -0.013 0.000 0.858 399 D CB -0.651 40.160 40.800 0.018 0.000 1.092 399 D HN 0.433 nan 8.370 nan 0.000 0.438 400 Q N -0.557 119.201 119.800 -0.071 0.000 2.900 400 Q HA 0.626 4.966 4.340 -0.000 0.000 0.297 400 Q C -1.845 174.019 176.000 -0.227 0.000 0.889 400 Q CA -0.478 55.228 55.803 -0.161 0.000 0.777 400 Q CB 1.167 29.842 28.738 -0.105 0.000 1.518 400 Q HN 0.207 nan 8.270 nan 0.000 0.430 401 E N 0.758 120.704 120.200 -0.424 0.000 2.343 401 E HA 0.440 4.789 4.350 -0.000 0.000 0.286 401 E C -1.615 174.725 176.600 -0.434 0.000 0.915 401 E CA -0.338 55.883 56.400 -0.298 0.000 0.784 401 E CB 1.382 30.969 29.700 -0.188 0.000 1.251 401 E HN 0.445 nan 8.360 nan 0.000 0.407 402 Y N 0.454 120.750 120.300 -0.006 0.000 2.429 402 Y HA 0.361 4.911 4.550 -0.000 0.000 0.342 402 Y C 0.514 176.445 175.900 0.052 0.000 1.004 402 Y CA -0.873 57.272 58.100 0.075 0.000 1.075 402 Y CB 1.920 40.511 38.460 0.219 0.000 1.214 402 Y HN 0.376 nan 8.280 nan 0.000 0.455 403 S N 0.885 116.738 115.700 0.255 0.000 2.610 403 S HA 0.278 4.748 4.470 -0.000 0.000 0.273 403 S C 0.633 175.477 174.600 0.406 0.000 1.274 403 S CA -0.634 57.717 58.200 0.251 0.000 1.023 403 S CB 0.539 63.851 63.200 0.186 0.000 0.962 403 S HN 0.538 nan 8.310 nan 0.000 0.523 404 F N 1.734 121.807 119.950 0.203 0.000 2.063 404 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 404 F C 2.313 178.247 175.800 0.222 0.000 1.109 404 F CA 1.950 60.142 58.000 0.320 0.000 1.212 404 F CB -1.024 38.113 39.000 0.227 0.000 0.973 404 F HN 0.567 nan 8.300 nan 0.000 0.480 405 K N 0.121 120.737 120.400 0.360 0.000 2.163 405 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 405 K C 1.750 178.435 176.600 0.141 0.000 1.048 405 K CA 2.082 58.487 56.287 0.196 0.000 0.928 405 K CB -0.595 31.994 32.500 0.149 0.000 0.716 405 K HN 0.594 nan 8.250 nan 0.000 0.459 406 Q N -1.544 118.387 119.800 0.219 0.000 2.319 406 Q HA 0.105 4.444 4.340 -0.000 0.000 0.209 406 Q C 1.457 177.582 176.000 0.208 0.000 0.884 406 Q CA 0.097 56.024 55.803 0.207 0.000 0.938 406 Q CB 0.036 28.949 28.738 0.292 0.000 1.098 406 Q HN 0.217 nan 8.270 nan 0.000 0.517 407 F N 1.872 121.834 119.950 0.020 0.000 2.220 407 F HA 0.243 4.770 4.527 -0.000 0.000 0.290 407 F C 0.860 176.524 175.800 -0.228 0.000 1.080 407 F CA -0.213 57.703 58.000 -0.140 0.000 1.318 407 F CB 0.207 39.127 39.000 -0.133 0.000 1.063 407 F HN -0.071 nan 8.300 nan 0.000 0.498 408 L N 2.412 123.582 121.223 -0.089 0.000 2.640 408 L HA -0.159 4.181 4.340 -0.000 0.000 0.280 408 L C 0.124 176.539 176.870 -0.758 0.000 1.229 408 L CA 0.118 54.716 54.840 -0.403 0.000 0.919 408 L CB -0.985 40.802 42.059 -0.453 0.000 1.168 408 L HN 0.550 nan 8.230 nan 0.000 0.496 409 Y N 1.228 121.503 120.300 -0.042 0.000 2.973 409 Y HA -0.304 4.246 4.550 -0.000 0.000 0.210 409 Y C 0.041 175.912 175.900 -0.047 0.000 1.191 409 Y CA 0.179 58.264 58.100 -0.025 0.000 0.991 409 Y CB -2.215 36.276 38.460 0.052 0.000 1.231 409 Y HN 0.707 nan 8.280 nan 0.000 0.504 410 N N 1.553 120.180 118.700 -0.121 0.000 2.424 410 N HA 0.140 4.880 4.740 -0.000 0.000 0.271 410 N C 0.776 176.143 175.510 -0.238 0.000 0.985 410 N CA -0.102 52.864 53.050 -0.140 0.000 0.921 410 N CB 1.060 39.431 38.487 -0.193 0.000 1.149 410 N HN 0.477 nan 8.380 nan 0.000 0.492 411 N N 2.654 121.217 118.700 -0.228 0.000 2.022 411 N HA -0.183 4.556 4.740 -0.000 0.000 0.194 411 N C 1.253 176.575 175.510 -0.314 0.000 1.057 411 N CA 2.218 55.050 53.050 -0.362 0.000 0.849 411 N CB -0.335 37.985 38.487 -0.279 0.000 1.044 411 N HN 0.601 nan 8.380 nan 0.000 0.424 412 S N 1.572 117.157 115.700 -0.191 0.000 2.435 412 S HA -0.285 4.185 4.470 -0.000 0.000 0.250 412 S C 2.188 176.731 174.600 -0.096 0.000 1.065 412 S CA 2.087 60.212 58.200 -0.125 0.000 1.243 412 S CB -1.304 61.862 63.200 -0.057 0.000 1.158 412 S HN 0.487 nan 8.310 nan 0.000 0.430 413 I N 1.438 121.968 120.570 -0.067 0.000 2.161 413 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 413 I C 2.520 178.854 176.117 0.360 0.000 1.048 413 I CA 1.865 63.223 61.300 0.096 0.000 1.314 413 I CB -0.597 37.291 38.000 -0.185 0.000 1.014 413 I HN 0.232 nan 8.210 nan 0.000 0.418 414 L N 0.359 121.586 121.223 0.007 0.000 2.023 414 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 414 L C 2.331 179.123 176.870 -0.130 0.000 1.073 414 L CA 1.561 56.258 54.840 -0.239 0.000 0.745 414 L CB -0.411 41.340 42.059 -0.514 0.000 0.900 414 L HN 0.096 nan 8.230 nan 0.000 0.435 415 L N -0.425 120.663 121.223 -0.226 0.000 2.081 415 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 415 L C 2.678 179.519 176.870 -0.047 0.000 1.080 415 L CA 1.200 55.927 54.840 -0.188 0.000 0.754 415 L CB -0.562 41.367 42.059 -0.217 0.000 0.893 415 L HN 0.390 nan 8.230 nan 0.000 0.433 416 E N -0.533 119.630 120.200 -0.062 0.000 2.016 416 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 416 E C 2.102 178.617 176.600 -0.142 0.000 0.985 416 E CA 1.465 57.778 56.400 -0.145 0.000 0.802 416 E CB -0.265 29.253 29.700 -0.302 0.000 0.762 416 E HN 0.618 nan 8.360 nan 0.000 0.448 417 H N -0.266 118.909 119.070 0.175 0.000 2.436 417 H HA 0.188 4.744 4.556 -0.000 0.000 0.294 417 H C 1.103 176.569 175.328 0.229 0.000 1.048 417 H CA 0.712 56.883 56.048 0.205 0.000 1.353 417 H CB 0.024 29.908 29.762 0.204 0.000 1.414 417 H HN 0.313 nan 8.280 nan 0.000 0.536 418 G N 0.023 109.013 108.800 0.316 0.000 2.814 418 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.677 418 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.677 418 G C 0.468 175.444 174.900 0.126 0.000 1.429 418 G CA -0.204 45.008 45.100 0.186 0.000 0.868 418 G HN 0.160 nan 8.290 nan 0.000 0.553 419 L N 0.781 122.007 121.223 0.006 0.000 2.083 419 L HA -0.097 4.242 4.340 -0.000 0.000 0.209 419 L C 3.191 180.080 176.870 0.031 0.000 1.083 419 L CA 2.953 57.753 54.840 -0.066 0.000 0.752 419 L CB -1.948 40.044 42.059 -0.112 0.000 0.899 419 L HN 0.862 nan 8.230 nan 0.000 0.433 420 T N -0.963 113.618 114.554 0.045 0.000 2.569 420 T HA -0.227 4.123 4.350 -0.000 0.000 0.263 420 T C 1.169 175.920 174.700 0.086 0.000 1.074 420 T CA 0.987 63.116 62.100 0.049 0.000 1.176 420 T CB -0.224 68.666 68.868 0.037 0.000 0.863 420 T HN 0.050 nan 8.240 nan 0.000 0.410 421 Q N 0.347 120.219 119.800 0.120 0.000 2.837 421 Q HA 0.387 4.727 4.340 -0.000 0.000 0.235 421 Q C -0.673 175.393 176.000 0.110 0.000 1.348 421 Q CA -0.107 55.753 55.803 0.094 0.000 0.990 421 Q CB -0.654 28.148 28.738 0.106 0.000 1.570 421 Q HN 0.518 nan 8.270 nan 0.000 0.575 422 F N -0.456 119.400 119.950 -0.157 0.000 1.905 422 F HA -0.035 4.492 4.527 -0.000 0.000 0.363 422 F C 1.131 176.765 175.800 -0.278 0.000 0.981 422 F CA 0.229 58.013 58.000 -0.361 0.000 1.118 422 F CB 0.268 39.103 39.000 -0.275 0.000 1.472 422 F HN 0.147 nan 8.300 nan 0.000 0.473 423 V N 0.833 120.810 119.914 0.105 0.000 2.307 423 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 423 V C 1.910 178.061 176.094 0.094 0.000 1.045 423 V CA 2.543 64.895 62.300 0.087 0.000 1.024 423 V CB -0.474 31.360 31.823 0.019 0.000 0.651 423 V HN 0.310 nan 8.190 nan 0.000 0.449 424 E N 0.425 120.662 120.200 0.062 0.000 2.017 424 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 424 E C 2.334 178.972 176.600 0.064 0.000 0.997 424 E CA 1.720 58.163 56.400 0.071 0.000 0.804 424 E CB -0.305 29.426 29.700 0.052 0.000 0.757 424 E HN 0.480 nan 8.360 nan 0.000 0.448 425 S N 0.070 115.753 115.700 -0.027 0.000 2.465 425 S HA -0.121 4.349 4.470 -0.000 0.000 0.241 425 S C 1.262 175.949 174.600 0.145 0.000 1.000 425 S CA 0.827 58.992 58.200 -0.059 0.000 0.964 425 S CB -0.099 62.914 63.200 -0.311 0.000 0.763 425 S HN 0.184 nan 8.310 nan 0.000 0.512 426 F N 1.086 121.070 119.950 0.057 0.000 2.622 426 F HA 0.177 4.704 4.527 -0.000 0.000 0.288 426 F C 2.446 178.310 175.800 0.108 0.000 1.120 426 F CA -0.030 58.033 58.000 0.104 0.000 1.423 426 F CB -1.354 37.761 39.000 0.192 0.000 1.127 426 F HN 0.062 nan 8.300 nan 0.000 0.588 427 T N 0.076 114.803 114.554 0.289 0.000 2.720 427 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 427 T C 1.067 175.876 174.700 0.183 0.000 1.037 427 T CA 1.066 63.285 62.100 0.199 0.000 1.144 427 T CB -0.329 68.638 68.868 0.164 0.000 0.864 427 T HN -0.057 nan 8.240 nan 0.000 0.444 428 R N 2.238 122.842 120.500 0.173 0.000 2.608 428 R HA 0.449 4.789 4.340 -0.000 0.000 0.277 428 R C -0.290 176.085 176.300 0.123 0.000 1.341 428 R CA -0.009 56.167 56.100 0.126 0.000 1.199 428 R CB 0.056 30.413 30.300 0.096 0.000 1.156 428 R HN 0.330 nan 8.270 nan 0.000 0.558 429 Q N 2.291 122.150 119.800 0.098 0.000 3.227 429 Q HA 0.078 4.417 4.340 -0.000 0.000 0.181 429 Q C -1.446 174.571 176.000 0.028 0.000 0.905 429 Q CA -0.185 55.652 55.803 0.055 0.000 1.313 429 Q CB 0.600 29.383 28.738 0.076 0.000 1.585 429 Q HN 0.633 nan 8.270 nan 0.000 0.639 430 I N 2.617 123.207 120.570 0.033 0.000 2.836 430 I HA 0.632 4.802 4.170 -0.000 0.000 0.285 430 I C -0.114 176.055 176.117 0.087 0.000 1.174 430 I CA 0.329 61.663 61.300 0.056 0.000 1.405 430 I CB 0.843 38.898 38.000 0.092 0.000 1.385 430 I HN 0.755 nan 8.210 nan 0.000 0.594 431 A N 4.944 127.811 122.820 0.078 0.000 2.313 431 A HA 0.743 5.062 4.320 -0.000 0.000 0.323 431 A C 0.278 177.948 177.584 0.143 0.000 1.133 431 A CA -0.107 51.997 52.037 0.112 0.000 0.847 431 A CB 0.616 19.610 19.000 -0.010 0.000 1.308 431 A HN 0.880 nan 8.150 nan 0.000 0.475 432 G N -0.604 108.286 108.800 0.149 0.000 2.466 432 G HA2 0.416 4.376 3.960 -0.000 0.000 0.279 432 G HA3 0.416 4.376 3.960 -0.000 0.000 0.279 432 G C 0.083 174.837 174.900 -0.244 0.000 1.410 432 G CA -0.289 44.734 45.100 -0.127 0.000 1.065 432 G HN 0.774 nan 8.290 nan 0.000 0.547 433 R N -1.456 118.881 120.500 -0.272 0.000 2.538 433 R HA 0.375 4.715 4.340 -0.000 0.000 0.292 433 R C 0.705 176.867 176.300 -0.230 0.000 1.008 433 R CA -0.621 55.302 56.100 -0.295 0.000 0.896 433 R CB 2.042 32.164 30.300 -0.297 0.000 1.187 433 R HN 0.255 nan 8.270 nan 0.000 0.440 434 V N 2.810 122.561 119.914 -0.272 0.000 2.273 434 V HA -0.059 4.061 4.120 -0.000 0.000 0.242 434 V C 1.706 177.740 176.094 -0.100 0.000 1.035 434 V CA 2.012 64.216 62.300 -0.160 0.000 1.013 434 V CB -0.436 31.276 31.823 -0.186 0.000 0.652 434 V HN 0.827 nan 8.190 nan 0.000 0.452 435 A N 0.429 123.186 122.820 -0.105 0.000 2.310 435 A HA 0.404 4.724 4.320 -0.000 0.000 0.230 435 A C 1.856 179.385 177.584 -0.090 0.000 1.294 435 A CA 0.789 52.791 52.037 -0.059 0.000 0.898 435 A CB -0.936 18.062 19.000 -0.004 0.000 0.917 435 A HN 0.485 nan 8.150 nan 0.000 0.491 436 G N -0.058 108.672 108.800 -0.118 0.000 2.607 436 G HA2 0.437 4.397 3.960 -0.000 0.000 0.215 436 G HA3 0.437 4.397 3.960 -0.000 0.000 0.215 436 G C 0.784 175.630 174.900 -0.090 0.000 1.275 436 G CA 0.721 45.752 45.100 -0.116 0.000 0.842 436 G HN 1.556 nan 8.290 nan 0.000 0.555 437 G N -2.150 106.598 108.800 -0.088 0.000 2.350 437 G HA2 0.346 4.305 3.960 -0.000 0.000 0.305 437 G HA3 0.346 4.305 3.960 -0.000 0.000 0.305 437 G C -0.409 174.449 174.900 -0.070 0.000 1.479 437 G CA -0.433 44.624 45.100 -0.072 0.000 0.949 437 G HN 0.652 nan 8.290 nan 0.000 0.651 438 R N -0.223 120.243 120.500 -0.056 0.000 2.629 438 R HA -0.231 4.109 4.340 -0.000 0.000 0.225 438 R C 0.333 176.605 176.300 -0.047 0.000 0.777 438 R CA 0.996 57.068 56.100 -0.046 0.000 0.528 438 R CB -0.765 29.509 30.300 -0.044 0.000 1.182 438 R HN 0.451 nan 8.270 nan 0.000 0.520 439 N N -0.388 118.290 118.700 -0.038 0.000 2.118 439 N HA 0.042 4.782 4.740 -0.000 0.000 0.226 439 N C -0.489 175.042 175.510 0.035 0.000 1.305 439 N CA 0.038 53.070 53.050 -0.030 0.000 0.890 439 N CB 1.022 39.458 38.487 -0.085 0.000 1.118 439 N HN 0.096 nan 8.380 nan 0.000 0.511 440 V N 3.343 123.284 119.914 0.045 0.000 2.485 440 V HA 0.203 4.322 4.120 -0.000 0.000 0.287 440 V C -2.006 174.120 176.094 0.053 0.000 1.022 440 V CA -0.963 61.390 62.300 0.089 0.000 1.067 440 V CB 0.605 32.482 31.823 0.089 0.000 0.967 440 V HN 0.098 nan 8.190 nan 0.000 0.479 441 P HA 0.074 nan 4.420 nan 0.000 0.265 441 P C 0.908 178.137 177.300 -0.118 0.000 1.193 441 P CA -0.008 63.068 63.100 -0.040 0.000 0.765 441 P CB 0.602 32.259 31.700 -0.072 0.000 0.823 442 I N 3.547 124.035 120.570 -0.137 0.000 2.264 442 I HA -0.311 3.858 4.170 -0.000 0.000 0.248 442 I C 2.126 178.131 176.117 -0.186 0.000 1.111 442 I CA 1.874 63.098 61.300 -0.126 0.000 1.382 442 I CB -0.792 37.146 38.000 -0.103 0.000 1.060 442 I HN 0.410 nan 8.210 nan 0.000 0.418 443 A N -0.485 122.125 122.820 -0.351 0.000 1.873 443 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 443 A C 2.310 179.741 177.584 -0.254 0.000 1.193 443 A CA 2.200 53.992 52.037 -0.408 0.000 0.629 443 A CB -1.221 17.196 19.000 -0.972 0.000 0.826 443 A HN 0.237 nan 8.150 nan 0.000 0.447 444 V N 1.675 121.427 119.914 -0.270 0.000 3.444 444 V HA -0.214 3.906 4.120 -0.000 0.000 0.271 444 V C 2.539 178.568 176.094 -0.107 0.000 1.188 444 V CA 1.628 63.833 62.300 -0.159 0.000 1.168 444 V CB -1.146 30.599 31.823 -0.131 0.000 0.810 444 V HN 0.903 nan 8.190 nan 0.000 0.500 445 Q N 1.032 120.782 119.800 -0.083 0.000 2.152 445 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 445 Q C 2.132 178.124 176.000 -0.012 0.000 0.985 445 Q CA 2.262 58.046 55.803 -0.032 0.000 0.863 445 Q CB -0.532 28.185 28.738 -0.035 0.000 0.904 445 Q HN 0.512 nan 8.270 nan 0.000 0.422 446 A N 1.217 124.022 122.820 -0.024 0.000 1.883 446 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 446 A C 2.343 179.928 177.584 0.001 0.000 1.186 446 A CA 1.819 53.851 52.037 -0.009 0.000 0.624 446 A CB -1.008 17.987 19.000 -0.007 0.000 0.822 446 A HN 0.279 nan 8.150 nan 0.000 0.444 447 V N -0.044 119.863 119.914 -0.012 0.000 2.215 447 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 447 V C 3.054 179.191 176.094 0.072 0.000 1.047 447 V CA 2.285 64.594 62.300 0.015 0.000 0.999 447 V CB -1.622 30.145 31.823 -0.094 0.000 0.635 447 V HN 0.654 nan 8.190 nan 0.000 0.450 448 A N -0.467 122.432 122.820 0.132 0.000 1.971 448 A HA -0.380 3.940 4.320 -0.000 0.000 0.222 448 A C 2.345 180.047 177.584 0.197 0.000 1.182 448 A CA 2.744 54.940 52.037 0.266 0.000 0.649 448 A CB -0.666 18.489 19.000 0.258 0.000 0.818 448 A HN 0.603 nan 8.150 nan 0.000 0.458 449 K N -0.715 119.741 120.400 0.094 0.000 2.001 449 K HA -0.038 4.282 4.320 -0.000 0.000 0.208 449 K C 2.305 178.920 176.600 0.024 0.000 1.048 449 K CA 1.146 57.472 56.287 0.064 0.000 0.932 449 K CB -0.425 32.093 32.500 0.030 0.000 0.715 449 K HN 0.362 nan 8.250 nan 0.000 0.437 450 A N 1.184 124.000 122.820 -0.007 0.000 1.896 450 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 450 A C 2.204 179.713 177.584 -0.124 0.000 1.206 450 A CA 2.638 54.646 52.037 -0.048 0.000 0.647 450 A CB -1.099 17.877 19.000 -0.041 0.000 0.828 450 A HN 0.464 nan 8.150 nan 0.000 0.455 451 S N -0.184 115.383 115.700 -0.221 0.000 2.380 451 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 451 S C 1.783 176.129 174.600 -0.423 0.000 1.043 451 S CA 1.783 59.646 58.200 -0.562 0.000 1.038 451 S CB -0.621 61.922 63.200 -1.095 0.000 0.872 451 S HN 0.561 nan 8.310 nan 0.000 0.456 452 I N 1.999 122.507 120.570 -0.103 0.000 2.252 452 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 452 I C 1.616 177.711 176.117 -0.037 0.000 1.102 452 I CA 1.221 62.547 61.300 0.043 0.000 1.385 452 I CB -0.408 37.685 38.000 0.155 0.000 1.064 452 I HN 0.297 nan 8.210 nan 0.000 0.414 453 D N -0.201 120.175 120.400 -0.040 0.000 2.358 453 D HA -0.049 4.591 4.640 -0.000 0.000 0.224 453 D C 1.551 177.821 176.300 -0.050 0.000 1.123 453 D CA 0.206 54.187 54.000 -0.031 0.000 0.833 453 D CB 0.179 40.977 40.800 -0.003 0.000 0.946 453 D HN 0.416 nan 8.370 nan 0.000 0.505 454 Q N -0.137 119.600 119.800 -0.105 0.000 2.481 454 Q HA 0.104 4.444 4.340 -0.000 0.000 0.219 454 Q C 1.723 177.640 176.000 -0.137 0.000 0.920 454 Q CA 0.199 55.947 55.803 -0.090 0.000 0.915 454 Q CB 0.402 29.080 28.738 -0.100 0.000 1.057 454 Q HN 0.055 nan 8.270 nan 0.000 0.581 455 S N 0.800 116.320 115.700 -0.300 0.000 2.440 455 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 455 S C 1.663 176.123 174.600 -0.233 0.000 1.010 455 S CA 1.061 58.938 58.200 -0.537 0.000 0.972 455 S CB -0.087 62.559 63.200 -0.923 0.000 0.774 455 S HN 0.212 nan 8.310 nan 0.000 0.501 456 R N 0.881 121.316 120.500 -0.108 0.000 2.093 456 R HA 0.025 4.365 4.340 -0.000 0.000 0.224 456 R C 2.269 178.594 176.300 0.042 0.000 1.101 456 R CA 1.045 57.145 56.100 0.001 0.000 0.979 456 R CB -0.043 30.263 30.300 0.010 0.000 0.877 456 R HN 0.480 nan 8.270 nan 0.000 0.441 457 E N 0.207 120.422 120.200 0.025 0.000 2.051 457 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 457 E C 0.922 177.569 176.600 0.080 0.000 0.991 457 E CA 1.042 57.472 56.400 0.051 0.000 0.799 457 E CB -0.047 29.681 29.700 0.047 0.000 0.748 457 E HN 0.329 nan 8.360 nan 0.000 0.449 458 M N 1.536 121.200 119.600 0.108 0.000 3.168 458 M HA 0.062 4.542 4.480 -0.000 0.000 0.202 458 M C -0.450 175.986 176.300 0.227 0.000 1.310 458 M CA 0.209 55.605 55.300 0.160 0.000 1.302 458 M CB -0.416 32.338 32.600 0.257 0.000 1.484 458 M HN -0.125 nan 8.290 nan 0.000 0.434 459 K N 0.806 121.299 120.400 0.154 0.000 4.007 459 K HA -0.218 4.102 4.320 -0.000 0.000 0.273 459 K C -0.591 176.126 176.600 0.195 0.000 0.767 459 K CA 0.678 57.050 56.287 0.143 0.000 0.596 459 K CB -1.405 31.139 32.500 0.073 0.000 1.875 459 K HN 0.312 nan 8.250 nan 0.000 0.423 460 Y N 0.757 121.091 120.300 0.056 0.000 2.279 460 Y HA -0.016 4.533 4.550 -0.000 0.000 0.350 460 Y C 1.503 177.484 175.900 0.134 0.000 1.288 460 Y CA 0.212 58.386 58.100 0.124 0.000 1.547 460 Y CB 0.514 39.045 38.460 0.118 0.000 1.381 460 Y HN 0.242 nan 8.280 nan 0.000 0.630 461 Q N -0.256 119.784 119.800 0.400 0.000 2.306 461 Q HA 0.400 4.739 4.340 -0.000 0.000 0.269 461 Q C -0.521 175.665 176.000 0.311 0.000 1.053 461 Q CA -1.090 54.840 55.803 0.211 0.000 0.879 461 Q CB 1.619 30.331 28.738 -0.044 0.000 1.344 461 Q HN 0.763 nan 8.270 nan 0.000 0.464 462 S N 0.283 116.077 115.700 0.156 0.000 2.559 462 S HA -0.077 4.393 4.470 -0.000 0.000 0.282 462 S C 1.032 175.754 174.600 0.203 0.000 1.336 462 S CA -0.335 57.940 58.200 0.125 0.000 1.037 462 S CB 0.355 63.577 63.200 0.036 0.000 0.853 462 S HN 0.698 nan 8.310 nan 0.000 0.523 463 L N 1.768 123.064 121.223 0.122 0.000 2.081 463 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 463 L C 1.893 178.829 176.870 0.109 0.000 1.080 463 L CA 1.960 56.874 54.840 0.123 0.000 0.754 463 L CB -0.950 41.135 42.059 0.044 0.000 0.893 463 L HN 0.805 nan 8.230 nan 0.000 0.433 464 N N -0.906 117.818 118.700 0.041 0.000 2.216 464 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 464 N C 1.586 177.093 175.510 -0.005 0.000 1.017 464 N CA 1.018 54.061 53.050 -0.012 0.000 0.861 464 N CB 0.016 38.478 38.487 -0.042 0.000 0.986 464 N HN 0.446 nan 8.380 nan 0.000 0.428 465 E N 0.638 120.835 120.200 -0.004 0.000 2.110 465 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 465 E C 1.501 178.048 176.600 -0.089 0.000 0.988 465 E CA 1.035 57.386 56.400 -0.081 0.000 0.804 465 E CB -0.304 29.316 29.700 -0.134 0.000 0.745 465 E HN 0.482 nan 8.360 nan 0.000 0.458 466 Y N 0.711 121.046 120.300 0.058 0.000 2.421 466 Y HA -0.072 4.478 4.550 -0.000 0.000 0.292 466 Y C 2.471 178.468 175.900 0.162 0.000 1.136 466 Y CA 0.977 59.164 58.100 0.145 0.000 1.255 466 Y CB 0.064 38.607 38.460 0.138 0.000 0.991 466 Y HN -0.028 nan 8.280 nan 0.000 0.552 467 R N 0.050 120.651 120.500 0.168 0.000 2.062 467 R HA -0.096 4.244 4.340 -0.000 0.000 0.226 467 R C 2.037 178.378 176.300 0.068 0.000 1.125 467 R CA 1.444 57.585 56.100 0.068 0.000 0.966 467 R CB -0.162 30.079 30.300 -0.099 0.000 0.861 467 R HN 0.241 nan 8.270 nan 0.000 0.433 468 K N 0.224 120.631 120.400 0.012 0.000 2.097 468 K HA -0.150 4.169 4.320 -0.000 0.000 0.206 468 K C 2.054 178.651 176.600 -0.004 0.000 1.049 468 K CA 1.170 57.447 56.287 -0.017 0.000 0.933 468 K CB -0.133 32.331 32.500 -0.060 0.000 0.717 468 K HN -0.085 nan 8.250 nan 0.000 0.442 469 R N 1.015 121.522 120.500 0.010 0.000 2.117 469 R HA -0.115 4.224 4.340 -0.000 0.000 0.243 469 R C 0.692 176.930 176.300 -0.103 0.000 1.143 469 R CA 1.545 57.612 56.100 -0.055 0.000 0.968 469 R CB -0.394 29.882 30.300 -0.040 0.000 0.863 469 R HN 0.146 nan 8.270 nan 0.000 0.444 470 F N 0.367 120.298 119.950 -0.031 0.000 2.837 470 F HA 0.331 4.858 4.527 -0.000 0.000 0.298 470 F C 0.497 176.276 175.800 -0.036 0.000 1.161 470 F CA 0.022 57.990 58.000 -0.053 0.000 1.353 470 F CB 0.247 39.233 39.000 -0.024 0.000 0.951 470 F HN -0.046 nan 8.300 nan 0.000 0.508 471 S N 0.236 115.994 115.700 0.098 0.000 3.482 471 S HA -0.185 4.285 4.470 -0.000 0.000 0.294 471 S C 0.038 174.685 174.600 0.078 0.000 1.244 471 S CA 0.252 58.508 58.200 0.093 0.000 0.911 471 S CB -1.866 61.418 63.200 0.141 0.000 1.070 471 S HN 0.278 nan 8.310 nan 0.000 0.614 472 L N 0.682 121.938 121.223 0.054 0.000 2.344 472 L HA 0.513 4.852 4.340 -0.000 0.000 0.272 472 L C 0.524 177.366 176.870 -0.047 0.000 1.035 472 L CA -0.672 54.168 54.840 -0.001 0.000 0.807 472 L CB 0.983 43.020 42.059 -0.037 0.000 1.237 472 L HN -0.003 nan 8.230 nan 0.000 0.442 473 K N 1.935 122.294 120.400 -0.068 0.000 2.218 473 K HA 0.326 4.645 4.320 -0.000 0.000 0.276 473 K C -2.367 174.143 176.600 -0.150 0.000 1.022 473 K CA -1.557 54.686 56.287 -0.073 0.000 0.946 473 K CB 1.066 33.548 32.500 -0.030 0.000 1.000 473 K HN 0.202 nan 8.250 nan 0.000 0.468 474 P HA -0.010 nan 4.420 nan 0.000 0.271 474 P C -1.103 176.164 177.300 -0.055 0.000 1.216 474 P CA -0.016 63.011 63.100 -0.121 0.000 0.776 474 P CB 0.266 31.928 31.700 -0.063 0.000 0.881 475 Y N 0.785 121.048 120.300 -0.062 0.000 2.411 475 Y HA 0.086 4.636 4.550 -0.000 0.000 0.333 475 Y C 2.027 177.864 175.900 -0.106 0.000 1.186 475 Y CA 0.203 58.253 58.100 -0.083 0.000 1.381 475 Y CB -0.094 38.295 38.460 -0.119 0.000 1.273 475 Y HN 0.388 nan 8.280 nan 0.000 0.546 476 T N -2.684 111.924 114.554 0.091 0.000 3.060 476 T HA 0.262 4.611 4.350 -0.000 0.000 0.249 476 T C -0.024 174.660 174.700 -0.027 0.000 1.079 476 T CA 0.352 62.461 62.100 0.015 0.000 1.013 476 T CB -0.210 68.676 68.868 0.030 0.000 0.975 476 T HN 0.493 nan 8.240 nan 0.000 0.518 477 S N -0.437 115.219 115.700 -0.072 0.000 2.556 477 S HA 0.488 4.957 4.470 -0.000 0.000 0.280 477 S C -0.196 174.337 174.600 -0.112 0.000 1.141 477 S CA -0.972 57.196 58.200 -0.055 0.000 0.883 477 S CB 0.076 63.300 63.200 0.039 0.000 1.103 477 S HN -0.069 nan 8.310 nan 0.000 0.453 478 F N 1.316 121.241 119.950 -0.042 0.000 2.307 478 F HA 0.007 4.534 4.527 -0.000 0.000 0.301 478 F C 2.214 177.944 175.800 -0.117 0.000 1.076 478 F CA 1.319 59.273 58.000 -0.077 0.000 1.383 478 F CB -0.679 38.310 39.000 -0.018 0.000 1.055 478 F HN 0.611 nan 8.300 nan 0.000 0.526 479 E N 0.219 120.492 120.200 0.123 0.000 2.072 479 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 479 E C 2.077 178.644 176.600 -0.057 0.000 0.985 479 E CA 1.226 57.646 56.400 0.033 0.000 0.801 479 E CB -0.388 29.341 29.700 0.049 0.000 0.750 479 E HN 0.502 nan 8.360 nan 0.000 0.452 480 E N 0.355 120.494 120.200 -0.102 0.000 2.072 480 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 480 E C 1.982 178.346 176.600 -0.394 0.000 0.985 480 E CA 0.708 57.009 56.400 -0.165 0.000 0.801 480 E CB -0.042 29.596 29.700 -0.103 0.000 0.750 480 E HN 0.185 nan 8.360 nan 0.000 0.452 481 L N 1.142 121.988 121.223 -0.629 0.000 1.971 481 L HA -0.212 4.128 4.340 -0.000 0.000 0.215 481 L C 2.524 179.149 176.870 -0.408 0.000 1.072 481 L CA 3.089 57.376 54.840 -0.921 0.000 0.758 481 L CB -1.309 40.380 42.059 -0.616 0.000 0.889 481 L HN 0.332 nan 8.230 nan 0.000 0.433 482 T N -3.387 111.047 114.554 -0.200 0.000 2.942 482 T HA 0.215 4.565 4.350 -0.000 0.000 0.265 482 T C 1.545 176.193 174.700 -0.087 0.000 1.062 482 T CA 0.636 62.674 62.100 -0.104 0.000 1.139 482 T CB -0.765 68.074 68.868 -0.049 0.000 0.883 482 T HN 1.006 nan 8.240 nan 0.000 0.468 483 G N 1.857 110.604 108.800 -0.088 0.000 2.160 483 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.244 483 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.244 483 G C -0.212 174.665 174.900 -0.037 0.000 1.022 483 G CA 0.486 45.552 45.100 -0.056 0.000 0.741 483 G HN 1.095 nan 8.290 nan 0.000 0.508 484 E N -2.765 117.414 120.200 -0.034 0.000 2.415 484 E HA 0.738 5.088 4.350 -0.000 0.000 0.271 484 E C 0.205 176.795 176.600 -0.017 0.000 1.094 484 E CA -0.797 55.588 56.400 -0.025 0.000 0.881 484 E CB 0.115 29.797 29.700 -0.030 0.000 1.581 484 E HN 0.031 nan 8.360 nan 0.000 0.460 485 K N -0.832 119.558 120.400 -0.017 0.000 2.491 485 K HA 0.209 4.529 4.320 -0.000 0.000 0.211 485 K C 1.170 177.756 176.600 -0.022 0.000 1.210 485 K CA 0.200 56.479 56.287 -0.013 0.000 1.003 485 K CB 0.492 32.986 32.500 -0.009 0.000 1.009 485 K HN 0.552 nan 8.250 nan 0.000 0.577 486 E N 0.691 120.875 120.200 -0.026 0.000 2.031 486 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 486 E C 1.617 178.194 176.600 -0.038 0.000 0.994 486 E CA 1.481 57.861 56.400 -0.032 0.000 0.800 486 E CB 0.098 29.779 29.700 -0.032 0.000 0.752 486 E HN 0.281 nan 8.360 nan 0.000 0.447 487 M N -0.064 119.516 119.600 -0.033 0.000 2.156 487 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 487 M C 2.452 178.733 176.300 -0.031 0.000 1.067 487 M CA 1.104 56.385 55.300 -0.032 0.000 1.131 487 M CB -0.119 32.467 32.600 -0.024 0.000 1.368 487 M HN 0.151 nan 8.290 nan 0.000 0.416 488 A N 0.873 123.687 122.820 -0.011 0.000 1.873 488 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 488 A C 2.363 179.904 177.584 -0.071 0.000 1.193 488 A CA 2.320 54.370 52.037 0.021 0.000 0.629 488 A CB -1.108 17.918 19.000 0.045 0.000 0.826 488 A HN 0.511 nan 8.150 nan 0.000 0.447 489 A N -0.881 121.897 122.820 -0.070 0.000 2.019 489 A HA -0.096 4.223 4.320 -0.000 0.000 0.219 489 A C 1.953 179.445 177.584 -0.152 0.000 1.164 489 A CA 2.123 54.098 52.037 -0.104 0.000 0.644 489 A CB -0.395 18.567 19.000 -0.063 0.000 0.805 489 A HN 0.594 nan 8.150 nan 0.000 0.449 490 E N 0.216 120.339 120.200 -0.130 0.000 2.046 490 E HA -0.060 4.289 4.350 -0.000 0.000 0.190 490 E C 1.834 178.314 176.600 -0.198 0.000 0.982 490 E CA 1.000 57.320 56.400 -0.134 0.000 0.800 490 E CB -0.403 29.244 29.700 -0.089 0.000 0.756 490 E HN 0.558 nan 8.360 nan 0.000 0.449 491 L N 0.558 121.654 121.223 -0.212 0.000 2.012 491 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 491 L C 2.647 179.128 176.870 -0.649 0.000 1.073 491 L CA 1.789 56.480 54.840 -0.249 0.000 0.748 491 L CB -0.466 41.581 42.059 -0.020 0.000 0.891 491 L HN 0.153 nan 8.230 nan 0.000 0.431 492 K N 0.128 119.917 120.400 -1.017 0.000 2.281 492 K HA -0.184 4.135 4.320 -0.000 0.000 0.203 492 K C 2.023 178.376 176.600 -0.413 0.000 1.046 492 K CA 1.089 56.773 56.287 -1.005 0.000 0.938 492 K CB -0.010 32.120 32.500 -0.616 0.000 0.737 492 K HN 0.311 nan 8.250 nan 0.000 0.458 493 A N 0.967 123.602 122.820 -0.309 0.000 1.873 493 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 493 A C 2.017 179.482 177.584 -0.198 0.000 1.186 493 A CA 1.232 53.153 52.037 -0.194 0.000 0.616 493 A CB -0.488 18.417 19.000 -0.159 0.000 0.823 493 A HN 0.282 nan 8.150 nan 0.000 0.442 494 L N -2.418 118.643 121.223 -0.270 0.000 2.007 494 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 494 L C 2.626 179.260 176.870 -0.393 0.000 1.073 494 L CA 1.408 56.033 54.840 -0.359 0.000 0.744 494 L CB -0.685 41.087 42.059 -0.479 0.000 0.898 494 L HN 0.444 nan 8.230 nan 0.000 0.435 495 Y N -0.886 119.385 120.300 -0.048 0.000 2.231 495 Y HA -0.085 4.464 4.550 -0.000 0.000 0.294 495 Y C 2.206 178.190 175.900 0.140 0.000 1.120 495 Y CA 0.624 58.789 58.100 0.109 0.000 1.141 495 Y CB -0.181 38.486 38.460 0.344 0.000 1.022 495 Y HN 0.167 nan 8.280 nan 0.000 0.523 496 S N -1.816 114.034 115.700 0.249 0.000 1.341 496 S HA -0.240 4.230 4.470 -0.000 0.000 0.249 496 S C -0.026 174.805 174.600 0.385 0.000 0.629 496 S CA 1.064 59.395 58.200 0.218 0.000 1.126 496 S CB -1.472 61.806 63.200 0.130 0.000 1.168 496 S HN 0.492 nan 8.310 nan 0.000 0.497 497 D N 1.238 121.850 120.400 0.353 0.000 2.198 497 D HA 0.515 5.155 4.640 -0.000 0.000 0.245 497 D C 0.811 177.210 176.300 0.165 0.000 1.079 497 D CA -0.274 53.864 54.000 0.230 0.000 0.854 497 D CB 1.332 42.210 40.800 0.130 0.000 1.148 497 D HN 0.229 nan 8.370 nan 0.000 0.456 498 I N 2.796 123.278 120.570 -0.148 0.000 2.361 498 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 498 I C 0.718 176.659 176.117 -0.294 0.000 1.133 498 I CA 1.276 62.180 61.300 -0.661 0.000 1.413 498 I CB -0.038 37.575 38.000 -0.645 0.000 1.073 498 I HN 0.255 nan 8.210 nan 0.000 0.424 499 D N 0.222 120.548 120.400 -0.123 0.000 2.490 499 D HA 0.066 4.705 4.640 -0.000 0.000 0.255 499 D C 0.945 177.226 176.300 -0.031 0.000 1.248 499 D CA 0.394 54.355 54.000 -0.065 0.000 0.887 499 D CB 0.124 40.905 40.800 -0.032 0.000 0.978 499 D HN 0.279 nan 8.370 nan 0.000 0.491 500 V N -0.097 119.790 119.914 -0.045 0.000 3.544 500 V HA 0.088 4.207 4.120 -0.000 0.000 0.298 500 V C 0.173 176.149 176.094 -0.197 0.000 1.580 500 V CA -0.399 61.903 62.300 0.004 0.000 1.122 500 V CB 0.415 32.326 31.823 0.147 0.000 0.951 500 V HN 0.094 nan 8.190 nan 0.000 0.448 501 M N 1.851 121.255 119.600 -0.326 0.000 2.238 501 M HA 0.283 4.763 4.480 -0.000 0.000 0.350 501 M C 0.317 176.386 176.300 -0.386 0.000 1.321 501 M CA 0.407 55.330 55.300 -0.630 0.000 1.097 501 M CB -0.076 32.298 32.600 -0.376 0.000 1.713 501 M HN 0.285 nan 8.290 nan 0.000 0.455 502 E N 2.995 122.937 120.200 -0.431 0.000 2.390 502 E HA 0.029 4.378 4.350 -0.000 0.000 0.261 502 E C 0.674 177.250 176.600 -0.041 0.000 1.076 502 E CA -0.346 55.990 56.400 -0.108 0.000 0.905 502 E CB 0.807 30.507 29.700 0.001 0.000 0.984 502 E HN 0.786 nan 8.360 nan 0.000 0.427 503 L N 3.751 124.986 121.223 0.020 0.000 1.994 503 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 503 L C 2.015 178.896 176.870 0.017 0.000 1.071 503 L CA 1.805 56.650 54.840 0.008 0.000 0.745 503 L CB -0.633 41.390 42.059 -0.059 0.000 0.892 503 L HN 0.695 nan 8.230 nan 0.000 0.431 504 Y N 1.044 121.261 120.300 -0.138 0.000 2.030 504 Y HA -0.188 4.362 4.550 -0.000 0.000 0.274 504 Y C -0.449 175.423 175.900 -0.047 0.000 1.153 504 Y CA 1.967 59.993 58.100 -0.123 0.000 1.115 504 Y CB -2.083 36.267 38.460 -0.183 0.000 0.969 504 Y HN 0.202 nan 8.280 nan 0.000 0.488 505 P HA -0.262 nan 4.420 nan 0.000 0.215 505 P C 1.630 178.833 177.300 -0.162 0.000 1.163 505 P CA 2.928 65.866 63.100 -0.270 0.000 0.894 505 P CB -0.473 31.202 31.700 -0.043 0.000 0.791 506 A N -0.850 121.927 122.820 -0.071 0.000 1.958 506 A HA -0.227 4.092 4.320 -0.000 0.000 0.221 506 A C 2.208 179.778 177.584 -0.022 0.000 1.178 506 A CA 1.746 53.769 52.037 -0.022 0.000 0.642 506 A CB -1.758 17.254 19.000 0.020 0.000 0.816 506 A HN 0.143 nan 8.150 nan 0.000 0.453 507 L N -1.059 120.137 121.223 -0.044 0.000 2.093 507 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 507 L C 2.294 179.139 176.870 -0.042 0.000 1.085 507 L CA 0.937 55.764 54.840 -0.021 0.000 0.755 507 L CB -0.398 41.667 42.059 0.010 0.000 0.904 507 L HN 0.368 nan 8.230 nan 0.000 0.435 508 L N -1.598 119.551 121.223 -0.123 0.000 2.418 508 L HA -0.053 4.286 4.340 -0.000 0.000 0.218 508 L C 2.039 178.856 176.870 -0.088 0.000 1.125 508 L CA 0.073 54.843 54.840 -0.115 0.000 0.835 508 L CB -0.005 41.927 42.059 -0.213 0.000 0.953 508 L HN 0.058 nan 8.230 nan 0.000 0.454 509 V N -1.094 118.774 119.914 -0.076 0.000 2.502 509 V HA -0.042 4.078 4.120 -0.000 0.000 0.234 509 V C 1.008 177.074 176.094 -0.047 0.000 1.072 509 V CA -0.013 62.254 62.300 -0.055 0.000 1.094 509 V CB 0.011 31.811 31.823 -0.037 0.000 0.761 509 V HN 0.358 nan 8.190 nan 0.000 0.489 510 E N 1.861 122.040 120.200 -0.035 0.000 3.699 510 E HA -0.281 4.068 4.350 -0.000 0.000 0.324 510 E C 0.235 176.815 176.600 -0.034 0.000 0.801 510 E CA 0.389 56.770 56.400 -0.030 0.000 1.045 510 E CB 0.135 29.860 29.700 0.040 0.000 1.006 510 E HN 0.397 nan 8.360 nan 0.000 0.519 511 K N 5.737 126.108 120.400 -0.048 0.000 2.437 511 K HA 0.041 4.361 4.320 -0.000 0.000 0.277 511 K C -2.324 174.262 176.600 -0.022 0.000 1.073 511 K CA -0.955 55.309 56.287 -0.038 0.000 1.105 511 K CB 0.341 32.819 32.500 -0.036 0.000 0.881 511 K HN 0.139 nan 8.250 nan 0.000 0.475 512 P HA 0.001 nan 4.420 nan 0.000 0.266 512 P C -0.580 176.696 177.300 -0.040 0.000 1.195 512 P CA 0.128 63.194 63.100 -0.057 0.000 0.768 512 P CB 0.528 32.170 31.700 -0.096 0.000 0.838 513 R N 4.471 124.942 120.500 -0.049 0.000 2.679 513 R HA 0.064 4.404 4.340 -0.000 0.000 0.268 513 R C -1.505 174.783 176.300 -0.020 0.000 1.044 513 R CA -0.964 55.111 56.100 -0.041 0.000 1.105 513 R CB -0.604 29.607 30.300 -0.148 0.000 0.989 513 R HN 0.473 nan 8.270 nan 0.000 0.447 514 P HA -0.323 nan 4.420 nan 0.000 0.253 514 P C -0.242 177.047 177.300 -0.018 0.000 0.872 514 P CA 1.345 64.468 63.100 0.040 0.000 1.093 514 P CB 0.090 31.857 31.700 0.110 0.000 0.776 515 D N -0.235 120.148 120.400 -0.029 0.000 3.060 515 D HA 0.348 4.987 4.640 -0.000 0.000 0.245 515 D C 0.182 176.405 176.300 -0.128 0.000 1.274 515 D CA 0.207 54.160 54.000 -0.079 0.000 0.864 515 D CB -0.347 40.407 40.800 -0.076 0.000 1.073 515 D HN 0.180 nan 8.370 nan 0.000 0.473 516 A N 0.218 122.957 122.820 -0.135 0.000 2.346 516 A HA 0.447 4.767 4.320 -0.000 0.000 0.313 516 A C 0.941 178.349 177.584 -0.294 0.000 1.140 516 A CA -0.707 51.204 52.037 -0.209 0.000 0.826 516 A CB 1.364 20.275 19.000 -0.148 0.000 1.332 516 A HN 0.235 nan 8.150 nan 0.000 0.457 517 I N -0.923 119.361 120.570 -0.477 0.000 2.617 517 I HA 0.117 4.287 4.170 -0.000 0.000 0.256 517 I C -0.533 175.171 176.117 -0.688 0.000 1.167 517 I CA 0.738 61.635 61.300 -0.672 0.000 1.469 517 I CB -0.119 37.287 38.000 -0.991 0.000 1.098 517 I HN 0.476 nan 8.210 nan 0.000 0.436 518 F N -0.180 119.619 119.950 -0.252 0.000 2.594 518 F HA 0.623 5.150 4.527 -0.000 0.000 0.335 518 F C 0.921 176.629 175.800 -0.153 0.000 1.058 518 F CA -1.031 56.834 58.000 -0.224 0.000 0.981 518 F CB 0.404 39.271 39.000 -0.221 0.000 1.289 518 F HN -0.239 nan 8.300 nan 0.000 0.490 519 G N -0.510 108.376 108.800 0.143 0.000 2.537 519 G HA2 0.249 4.209 3.960 -0.000 0.000 0.297 519 G HA3 0.249 4.209 3.960 -0.000 0.000 0.297 519 G C 0.512 175.445 174.900 0.055 0.000 1.310 519 G CA -0.309 44.831 45.100 0.067 0.000 1.027 519 G HN 0.682 nan 8.290 nan 0.000 0.505 520 E N -1.077 119.157 120.200 0.058 0.000 2.047 520 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 520 E C 2.397 179.008 176.600 0.020 0.000 0.987 520 E CA 1.617 58.040 56.400 0.038 0.000 0.799 520 E CB -0.154 29.582 29.700 0.060 0.000 0.752 520 E HN 0.476 nan 8.360 nan 0.000 0.449 521 T N 1.501 116.067 114.554 0.020 0.000 2.529 521 T HA -0.266 4.084 4.350 -0.000 0.000 0.261 521 T C 1.817 176.487 174.700 -0.049 0.000 1.110 521 T CA 1.939 64.025 62.100 -0.023 0.000 1.192 521 T CB -0.480 68.388 68.868 -0.001 0.000 0.864 521 T HN 0.195 nan 8.240 nan 0.000 0.407 522 M N 0.913 120.481 119.600 -0.053 0.000 2.164 522 M HA -0.186 4.294 4.480 -0.000 0.000 0.251 522 M C 1.898 178.089 176.300 -0.182 0.000 1.087 522 M CA 1.554 56.762 55.300 -0.152 0.000 1.071 522 M CB -0.661 31.787 32.600 -0.253 0.000 1.347 522 M HN 0.152 nan 8.290 nan 0.000 0.399 523 V N -0.540 119.328 119.914 -0.077 0.000 2.379 523 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 523 V C 2.320 178.438 176.094 0.039 0.000 1.035 523 V CA 1.698 63.997 62.300 -0.001 0.000 1.035 523 V CB -0.805 31.056 31.823 0.062 0.000 0.673 523 V HN 0.375 nan 8.190 nan 0.000 0.457 524 E N 0.416 120.627 120.200 0.018 0.000 2.150 524 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 524 E C 2.188 178.727 176.600 -0.102 0.000 0.985 524 E CA 1.039 57.451 56.400 0.019 0.000 0.814 524 E CB -0.190 29.534 29.700 0.040 0.000 0.752 524 E HN 0.498 nan 8.360 nan 0.000 0.466 525 L N -0.290 120.765 121.223 -0.280 0.000 2.034 525 L HA 0.026 4.366 4.340 -0.000 0.000 0.203 525 L C 2.527 179.426 176.870 0.049 0.000 1.074 525 L CA 1.300 55.722 54.840 -0.695 0.000 0.748 525 L CB -1.065 40.672 42.059 -0.538 0.000 0.905 525 L HN 0.162 nan 8.230 nan 0.000 0.439 526 G N -0.239 108.720 108.800 0.265 0.000 2.448 526 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.219 526 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.219 526 G C 1.747 176.931 174.900 0.474 0.000 1.127 526 G CA 0.884 46.332 45.100 0.579 0.000 0.766 526 G HN 0.453 nan 8.290 nan 0.000 0.552 527 A N 1.620 124.599 122.820 0.265 0.000 1.855 527 A HA 0.100 4.420 4.320 -0.000 0.000 0.215 527 A C 0.754 178.429 177.584 0.152 0.000 1.191 527 A CA 1.755 53.928 52.037 0.226 0.000 0.613 527 A CB -1.123 17.985 19.000 0.180 0.000 0.829 527 A HN 0.350 nan 8.150 nan 0.000 0.442 528 P HA -0.156 nan 4.420 nan 0.000 0.215 528 P C 1.038 178.270 177.300 -0.113 0.000 1.157 528 P CA 1.236 64.304 63.100 -0.053 0.000 0.874 528 P CB -0.194 31.439 31.700 -0.112 0.000 0.790 529 F N -0.677 119.190 119.950 -0.138 0.000 2.069 529 F HA -0.157 4.369 4.527 -0.000 0.000 0.298 529 F C 2.762 178.205 175.800 -0.594 0.000 1.113 529 F CA 1.717 59.386 58.000 -0.552 0.000 1.214 529 F CB -1.492 36.777 39.000 -1.218 0.000 0.978 529 F HN -0.100 nan 8.300 nan 0.000 0.474 530 S N 0.164 115.832 115.700 -0.053 0.000 2.370 530 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 530 S C 2.060 176.743 174.600 0.138 0.000 1.033 530 S CA 1.285 59.623 58.200 0.230 0.000 1.011 530 S CB -0.493 63.029 63.200 0.538 0.000 0.852 530 S HN 0.276 nan 8.310 nan 0.000 0.457 531 L N 0.639 121.929 121.223 0.112 0.000 2.217 531 L HA 0.006 4.345 4.340 -0.000 0.000 0.211 531 L C 2.438 179.363 176.870 0.091 0.000 1.107 531 L CA 0.995 55.895 54.840 0.100 0.000 0.783 531 L CB -0.360 41.755 42.059 0.094 0.000 0.919 531 L HN 0.206 nan 8.230 nan 0.000 0.442 532 K N 0.996 121.427 120.400 0.053 0.000 1.984 532 K HA -0.079 4.241 4.320 -0.000 0.000 0.209 532 K C 1.970 178.585 176.600 0.025 0.000 1.046 532 K CA 1.659 57.987 56.287 0.068 0.000 0.934 532 K CB -0.926 31.551 32.500 -0.039 0.000 0.717 532 K HN 0.134 nan 8.250 nan 0.000 0.438 533 G N 0.554 109.305 108.800 -0.082 0.000 2.535 533 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.218 533 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.218 533 G C 1.134 175.984 174.900 -0.083 0.000 1.122 533 G CA 0.549 45.556 45.100 -0.156 0.000 0.769 533 G HN 0.189 nan 8.290 nan 0.000 0.549 534 L N -0.484 120.747 121.223 0.013 0.000 2.265 534 L HA 0.259 4.599 4.340 -0.000 0.000 0.195 534 L C 2.792 179.729 176.870 0.112 0.000 1.083 534 L CA 0.814 55.680 54.840 0.044 0.000 0.798 534 L CB -0.873 41.217 42.059 0.052 0.000 0.989 534 L HN 0.129 nan 8.230 nan 0.000 0.472 535 M N -0.093 119.602 119.600 0.158 0.000 2.132 535 M HA 0.020 4.500 4.480 -0.000 0.000 0.263 535 M C 1.714 178.257 176.300 0.406 0.000 1.065 535 M CA 1.061 56.484 55.300 0.206 0.000 1.122 535 M CB -1.812 30.768 32.600 -0.033 0.000 1.365 535 M HN 0.239 nan 8.290 nan 0.000 0.411 536 G N 1.861 110.919 108.800 0.430 0.000 3.352 536 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.236 536 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.236 536 G C 0.246 175.256 174.900 0.184 0.000 1.324 536 G CA -0.176 45.066 45.100 0.237 0.000 1.404 536 G HN 0.444 nan 8.290 nan 0.000 0.542 537 N N 0.445 119.296 118.700 0.252 0.000 2.400 537 N HA 0.229 4.969 4.740 -0.000 0.000 0.288 537 N C -1.370 174.240 175.510 0.167 0.000 1.024 537 N CA -1.912 51.227 53.050 0.147 0.000 0.894 537 N CB 2.965 41.523 38.487 0.120 0.000 1.173 537 N HN -0.171 nan 8.380 nan 0.000 0.487 538 P HA -0.235 nan 4.420 nan 0.000 0.219 538 P C 1.467 178.589 177.300 -0.298 0.000 1.158 538 P CA 1.558 64.508 63.100 -0.251 0.000 0.895 538 P CB -0.175 31.233 31.700 -0.486 0.000 0.792 539 I N -2.930 117.602 120.570 -0.062 0.000 3.164 539 I HA -0.087 4.083 4.170 -0.000 0.000 0.278 539 I C 1.341 177.774 176.117 0.526 0.000 1.320 539 I CA 1.223 62.708 61.300 0.309 0.000 1.422 539 I CB -1.169 37.162 38.000 0.551 0.000 1.066 539 I HN -0.144 nan 8.210 nan 0.000 0.503 540 C N 0.815 120.326 119.300 0.353 0.000 3.038 540 C HA 0.340 4.800 4.460 -0.000 0.000 0.279 540 C C 1.436 176.610 174.990 0.307 0.000 1.276 540 C CA 0.063 59.276 59.018 0.325 0.000 1.697 540 C CB -1.827 26.115 27.740 0.337 0.000 2.032 540 C HN 0.676 nan 8.230 nan 0.000 0.636 541 S N 2.474 118.194 115.700 0.034 0.000 2.565 541 S HA 0.228 4.697 4.470 -0.000 0.000 0.276 541 S C -1.103 173.514 174.600 0.030 0.000 1.326 541 S CA -0.657 57.256 58.200 -0.478 0.000 1.045 541 S CB 0.922 63.844 63.200 -0.463 0.000 0.918 541 S HN 0.220 nan 8.310 nan 0.000 0.505 542 P HA -0.242 nan 4.420 nan 0.000 0.217 542 P C 1.308 178.562 177.300 -0.077 0.000 1.148 542 P CA 1.471 64.350 63.100 -0.368 0.000 0.834 542 P CB -0.009 31.162 31.700 -0.880 0.000 0.783 543 Q N -1.495 118.291 119.800 -0.024 0.000 2.451 543 Q HA -0.084 4.255 4.340 -0.000 0.000 0.206 543 Q C 1.231 177.245 176.000 0.022 0.000 0.947 543 Q CA 1.013 56.810 55.803 -0.010 0.000 0.937 543 Q CB -0.706 28.012 28.738 -0.033 0.000 1.025 543 Q HN 0.283 nan 8.270 nan 0.000 0.511 544 Y N -1.087 119.218 120.300 0.008 0.000 2.559 544 Y HA 0.162 4.712 4.550 -0.000 0.000 0.279 544 Y C 0.810 176.746 175.900 0.061 0.000 1.117 544 Y CA -0.489 57.615 58.100 0.006 0.000 1.263 544 Y CB 0.142 38.661 38.460 0.098 0.000 1.230 544 Y HN 0.177 nan 8.280 nan 0.000 0.528 545 W N 5.483 126.935 121.300 0.253 0.000 1.872 545 W HA 0.187 4.847 4.660 -0.000 0.000 0.503 545 W C -0.612 175.991 176.519 0.139 0.000 0.794 545 W CA 0.542 58.086 57.345 0.332 0.000 1.972 545 W CB -0.657 29.085 29.460 0.470 0.000 1.730 545 W HN 0.098 nan 8.180 nan 0.000 0.253 546 K N 3.100 123.197 120.400 -0.505 0.000 2.578 546 K HA 0.297 4.617 4.320 -0.000 0.000 0.269 546 K C -2.601 173.413 176.600 -0.977 0.000 0.941 546 K CA -1.524 54.363 56.287 -0.667 0.000 0.847 546 K CB 1.297 33.621 32.500 -0.293 0.000 1.397 546 K HN -0.262 nan 8.250 nan 0.000 0.422 547 P HA -0.299 nan 4.420 nan 0.000 0.220 547 P C 0.873 177.989 177.300 -0.307 0.000 1.155 547 P CA 1.805 64.581 63.100 -0.540 0.000 0.880 547 P CB 0.139 31.725 31.700 -0.189 0.000 0.790 548 S N -1.321 114.197 115.700 -0.304 0.000 2.356 548 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 548 S C 1.872 176.296 174.600 -0.293 0.000 1.032 548 S CA 1.919 59.993 58.200 -0.211 0.000 1.005 548 S CB -1.476 61.612 63.200 -0.187 0.000 0.867 548 S HN 0.295 nan 8.310 nan 0.000 0.449 549 T N 1.449 115.642 114.554 -0.601 0.000 2.822 549 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 549 T C 0.704 174.991 174.700 -0.688 0.000 1.064 549 T CA 1.137 62.765 62.100 -0.788 0.000 1.131 549 T CB -0.378 67.796 68.868 -1.158 0.000 0.858 549 T HN 0.445 nan 8.240 nan 0.000 0.483 550 F N -0.008 119.935 119.950 -0.012 0.000 2.668 550 F HA 0.532 5.059 4.527 -0.000 0.000 0.301 550 F C 1.611 177.524 175.800 0.189 0.000 1.106 550 F CA -0.794 57.266 58.000 0.100 0.000 1.289 550 F CB -0.170 38.884 39.000 0.090 0.000 1.006 550 F HN 0.170 nan 8.300 nan 0.000 0.535 551 G N -0.066 108.943 108.800 0.349 0.000 2.132 551 G HA2 0.222 4.181 3.960 -0.000 0.000 0.234 551 G HA3 0.222 4.181 3.960 -0.000 0.000 0.234 551 G C 0.496 175.574 174.900 0.296 0.000 0.989 551 G CA -0.028 45.352 45.100 0.466 0.000 0.676 551 G HN 1.219 nan 8.290 nan 0.000 0.522 552 G N -1.342 107.565 108.800 0.179 0.000 2.353 552 G HA2 0.353 4.313 3.960 -0.000 0.000 0.615 552 G HA3 0.353 4.313 3.960 -0.000 0.000 0.615 552 G C 0.073 175.037 174.900 0.106 0.000 1.280 552 G CA 0.522 45.679 45.100 0.095 0.000 1.000 552 G HN 0.744 nan 8.290 nan 0.000 0.516 553 E N -0.838 119.416 120.200 0.091 0.000 2.150 553 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 553 E C 2.692 179.391 176.600 0.165 0.000 0.985 553 E CA 1.629 58.123 56.400 0.157 0.000 0.814 553 E CB -0.135 29.629 29.700 0.107 0.000 0.752 553 E HN 0.540 nan 8.360 nan 0.000 0.466 554 V N 0.192 120.156 119.914 0.083 0.000 2.223 554 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 554 V C 2.260 178.413 176.094 0.097 0.000 1.045 554 V CA 2.216 64.547 62.300 0.052 0.000 1.004 554 V CB -1.276 30.535 31.823 -0.021 0.000 0.641 554 V HN 0.500 nan 8.190 nan 0.000 0.457 555 G N -1.778 107.093 108.800 0.118 0.000 2.564 555 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 555 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 555 G C 1.363 176.386 174.900 0.205 0.000 1.124 555 G CA 0.662 45.856 45.100 0.156 0.000 0.764 555 G HN 0.430 nan 8.290 nan 0.000 0.550 556 F N 0.923 120.887 119.950 0.024 0.000 2.219 556 F HA 0.272 4.799 4.527 -0.000 0.000 0.294 556 F C 2.348 178.100 175.800 -0.080 0.000 1.086 556 F CA 0.645 58.600 58.000 -0.075 0.000 1.330 556 F CB -0.168 38.826 39.000 -0.009 0.000 1.047 556 F HN 0.011 nan 8.300 nan 0.000 0.495 557 K N 0.776 121.205 120.400 0.049 0.000 2.147 557 K HA -0.069 4.250 4.320 -0.000 0.000 0.205 557 K C 2.121 178.707 176.600 -0.023 0.000 1.049 557 K CA 1.219 57.475 56.287 -0.052 0.000 0.936 557 K CB -0.535 31.963 32.500 -0.003 0.000 0.722 557 K HN 0.299 nan 8.250 nan 0.000 0.446 558 I N 0.294 120.878 120.570 0.022 0.000 2.248 558 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 558 I C 1.842 177.988 176.117 0.048 0.000 1.107 558 I CA 1.368 62.692 61.300 0.040 0.000 1.373 558 I CB -0.275 37.761 38.000 0.061 0.000 1.055 558 I HN 0.158 nan 8.210 nan 0.000 0.418 559 I N 0.526 121.107 120.570 0.018 0.000 2.500 559 I HA -0.180 3.989 4.170 -0.000 0.000 0.252 559 I C 1.347 177.525 176.117 0.103 0.000 1.142 559 I CA 0.914 62.257 61.300 0.072 0.000 1.451 559 I CB -0.304 37.709 38.000 0.022 0.000 1.093 559 I HN 0.272 nan 8.210 nan 0.000 0.430 560 N N 0.282 118.963 118.700 -0.031 0.000 2.270 560 N HA 0.017 4.757 4.740 -0.000 0.000 0.198 560 N C 1.065 176.585 175.510 0.018 0.000 1.117 560 N CA 0.791 53.834 53.050 -0.013 0.000 0.845 560 N CB 0.340 38.716 38.487 -0.184 0.000 0.980 560 N HN 0.396 nan 8.380 nan 0.000 0.486 561 T N -3.729 110.844 114.554 0.030 0.000 3.209 561 T HA 0.462 4.811 4.350 -0.000 0.000 0.295 561 T C 0.465 175.190 174.700 0.042 0.000 0.977 561 T CA -0.531 61.586 62.100 0.029 0.000 0.922 561 T CB 0.240 69.115 68.868 0.011 0.000 1.152 561 T HN 0.058 nan 8.240 nan 0.000 0.527 562 A N 1.786 124.649 122.820 0.073 0.000 2.386 562 A HA 0.770 5.090 4.320 -0.000 0.000 0.248 562 A C 0.501 178.121 177.584 0.059 0.000 1.082 562 A CA -0.077 52.008 52.037 0.079 0.000 0.789 562 A CB 0.239 19.322 19.000 0.138 0.000 1.025 562 A HN 1.352 nan 8.150 nan 0.000 0.490 563 S N 0.524 116.237 115.700 0.022 0.000 2.558 563 S HA 0.326 4.796 4.470 -0.000 0.000 0.277 563 S C 0.202 174.743 174.600 -0.098 0.000 1.143 563 S CA -0.070 58.113 58.200 -0.028 0.000 0.865 563 S CB 0.352 63.525 63.200 -0.045 0.000 1.102 563 S HN 1.414 nan 8.310 nan 0.000 0.454 564 I N 1.375 121.829 120.570 -0.194 0.000 2.502 564 I HA -0.118 4.052 4.170 -0.000 0.000 0.258 564 I C 2.235 178.164 176.117 -0.314 0.000 1.172 564 I CA 2.082 63.182 61.300 -0.333 0.000 1.430 564 I CB -0.430 37.078 38.000 -0.819 0.000 1.086 564 I HN 0.913 nan 8.210 nan 0.000 0.440 565 Q N 0.217 119.850 119.800 -0.278 0.000 1.994 565 Q HA -0.129 4.210 4.340 -0.000 0.000 0.198 565 Q C 2.311 178.216 176.000 -0.158 0.000 0.976 565 Q CA 2.536 58.193 55.803 -0.243 0.000 0.828 565 Q CB -0.531 28.089 28.738 -0.197 0.000 0.894 565 Q HN 0.512 nan 8.270 nan 0.000 0.432 566 S N 0.766 116.399 115.700 -0.111 0.000 2.374 566 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 566 S C 1.733 176.275 174.600 -0.097 0.000 1.037 566 S CA 1.271 59.425 58.200 -0.076 0.000 1.024 566 S CB -0.632 62.542 63.200 -0.043 0.000 0.861 566 S HN 0.438 nan 8.310 nan 0.000 0.456 567 L N 1.271 122.417 121.223 -0.129 0.000 2.043 567 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 567 L C 1.867 178.628 176.870 -0.183 0.000 1.075 567 L CA 1.683 56.409 54.840 -0.189 0.000 0.752 567 L CB -0.600 41.291 42.059 -0.280 0.000 0.891 567 L HN 0.179 nan 8.230 nan 0.000 0.432 568 I N -1.549 118.923 120.570 -0.163 0.000 2.277 568 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 568 I C 2.700 178.751 176.117 -0.110 0.000 1.094 568 I CA 1.270 62.484 61.300 -0.143 0.000 1.393 568 I CB -0.872 37.039 38.000 -0.148 0.000 1.078 568 I HN 0.427 nan 8.210 nan 0.000 0.417 569 c N 0.980 119.522 118.600 -0.096 0.000 2.398 569 c HA -0.224 4.346 4.570 -0.000 0.000 0.276 569 c C 2.844 176.896 174.090 -0.062 0.000 1.222 569 c CA 1.470 57.761 56.329 -0.065 0.000 1.746 569 c CB -1.263 41.217 42.510 -0.051 0.000 2.039 569 c HN 0.533 nan 8.230 nan 0.000 0.470 570 N N 0.889 119.548 118.700 -0.069 0.000 2.142 570 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 570 N C 1.141 176.606 175.510 -0.075 0.000 1.023 570 N CA 1.258 54.271 53.050 -0.062 0.000 0.852 570 N CB -0.546 37.908 38.487 -0.055 0.000 0.998 570 N HN 0.674 nan 8.380 nan 0.000 0.424 571 N N -0.029 118.611 118.700 -0.099 0.000 2.184 571 N HA 0.094 4.834 4.740 -0.000 0.000 0.206 571 N C -0.572 174.864 175.510 -0.123 0.000 1.151 571 N CA 0.061 53.044 53.050 -0.112 0.000 0.878 571 N CB 1.832 40.244 38.487 -0.125 0.000 1.014 571 N HN -0.066 nan 8.380 nan 0.000 0.512 572 V N 1.364 121.213 119.914 -0.108 0.000 2.555 572 V HA 0.142 4.262 4.120 -0.000 0.000 0.302 572 V C 1.179 177.227 176.094 -0.076 0.000 1.038 572 V CA -0.786 61.454 62.300 -0.100 0.000 0.887 572 V CB 2.389 34.156 31.823 -0.093 0.000 0.991 572 V HN -0.048 nan 8.190 nan 0.000 0.434 573 K N 4.122 124.479 120.400 -0.072 0.000 2.384 573 K HA -0.177 4.143 4.320 -0.000 0.000 0.230 573 K C 0.937 177.516 176.600 -0.036 0.000 0.752 573 K CA 2.042 58.298 56.287 -0.053 0.000 0.942 573 K CB -1.071 31.407 32.500 -0.038 0.000 0.457 573 K HN 0.944 nan 8.250 nan 0.000 0.903 574 G N -1.284 107.504 108.800 -0.019 0.000 2.503 574 G HA2 0.188 4.148 3.960 -0.000 0.000 0.257 574 G HA3 0.188 4.148 3.960 -0.000 0.000 0.257 574 G C -0.584 174.310 174.900 -0.010 0.000 1.214 574 G CA -0.344 44.750 45.100 -0.010 0.000 0.839 574 G HN 0.672 nan 8.290 nan 0.000 0.559 575 c N 3.024 121.620 118.600 -0.006 0.000 2.658 575 c HA 0.184 4.753 4.570 -0.000 0.000 0.376 575 c C -1.598 172.501 174.090 0.016 0.000 1.202 575 c CA -1.022 55.303 56.329 -0.006 0.000 1.435 575 c CB -1.268 41.242 42.510 -0.000 0.000 2.076 575 c HN 0.445 nan 8.230 nan 0.000 0.569 576 P HA 0.185 nan 4.420 nan 0.000 0.280 576 P C -0.176 177.154 177.300 0.050 0.000 1.244 576 P CA -0.410 62.716 63.100 0.043 0.000 0.784 576 P CB 0.412 32.125 31.700 0.022 0.000 0.913 577 F N 3.008 122.947 119.950 -0.019 0.000 2.496 577 F HA 0.388 4.915 4.527 -0.000 0.000 0.344 577 F C -0.195 175.589 175.800 -0.027 0.000 1.155 577 F CA 1.069 59.053 58.000 -0.026 0.000 1.302 577 F CB 0.487 39.476 39.000 -0.018 0.000 1.159 577 F HN 0.260 nan 8.300 nan 0.000 0.595 578 T N 3.165 116.920 114.554 -1.331 0.000 2.821 578 T HA 0.541 4.891 4.350 -0.000 0.000 0.306 578 T C -1.459 172.543 174.700 -1.164 0.000 1.313 578 T CA -0.792 60.710 62.100 -0.997 0.000 1.012 578 T CB 1.539 70.128 68.868 -0.465 0.000 1.298 578 T HN 0.778 nan 8.240 nan 0.000 0.502 579 S N -0.669 114.655 115.700 -0.627 0.000 2.587 579 S HA 0.581 5.051 4.470 -0.000 0.000 0.269 579 S C -1.188 173.287 174.600 -0.208 0.000 1.154 579 S CA -0.528 57.424 58.200 -0.413 0.000 0.824 579 S CB 0.743 63.864 63.200 -0.132 0.000 1.118 579 S HN 0.469 nan 8.310 nan 0.000 0.462 580 F N 2.151 122.071 119.950 -0.049 0.000 2.765 580 F HA 0.412 4.938 4.527 -0.000 0.000 0.302 580 F C 0.964 176.687 175.800 -0.129 0.000 1.111 580 F CA -0.245 57.710 58.000 -0.076 0.000 1.359 580 F CB -0.325 38.602 39.000 -0.122 0.000 1.097 580 F HN 0.565 nan 8.300 nan 0.000 0.577 581 N N -0.742 118.081 118.700 0.205 0.000 2.361 581 N HA 0.152 4.892 4.740 -0.000 0.000 0.302 581 N C 0.124 175.736 175.510 0.170 0.000 1.074 581 N CA -0.246 52.955 53.050 0.251 0.000 0.850 581 N CB 1.795 40.454 38.487 0.286 0.000 1.228 581 N HN -0.159 nan 8.380 nan 0.000 0.491 582 V N 2.843 122.836 119.914 0.131 0.000 3.515 582 V HA 0.032 4.152 4.120 -0.000 0.000 0.298 582 V C -0.274 175.889 176.094 0.114 0.000 1.206 582 V CA 0.897 63.264 62.300 0.112 0.000 1.253 582 V CB -2.394 29.471 31.823 0.070 0.000 1.035 582 V HN 0.919 nan 8.190 nan 0.000 0.428 583 Q N 0.000 119.889 119.800 0.148 0.000 2.315 583 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 583 Q CA 0.000 55.879 55.803 0.127 0.000 1.022 583 Q CB 0.000 28.795 28.738 0.094 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481