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_A 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 0.000 177.633 177.584 0.082 0.000 1.274 33 A CA 0.000 52.081 52.037 0.074 0.000 0.836 33 A CB 0.000 19.056 19.000 0.093 0.000 0.831 34 N N 2.819 121.563 118.700 0.073 0.000 2.315 34 N HA 0.067 4.809 4.740 0.002 0.000 0.270 34 N C -1.176 174.356 175.510 0.036 0.000 1.329 34 N CA -0.444 52.644 53.050 0.063 0.000 0.860 34 N CB 0.970 39.487 38.487 0.050 0.000 1.095 34 N HN 0.292 nan 8.380 nan 0.000 0.487 35 P HA -0.115 nan 4.420 nan 0.000 0.218 35 P C 0.630 177.849 177.300 -0.135 0.000 1.146 35 P CA 1.000 64.113 63.100 0.022 0.000 0.813 35 P CB 0.046 31.835 31.700 0.148 0.000 0.778 36 c N -1.433 117.106 118.600 -0.101 0.000 2.626 36 c HA 0.100 4.672 4.570 0.002 0.000 0.266 36 c C 2.841 176.842 174.090 -0.148 0.000 1.317 36 c CA -0.273 55.947 56.329 -0.182 0.000 1.716 36 c CB -2.325 40.138 42.510 -0.077 0.000 1.819 36 c HN 0.348 nan 8.230 nan 0.000 0.578 37 c N 1.285 119.826 118.600 -0.097 0.000 2.411 37 c HA -0.117 4.455 4.570 0.002 0.000 0.279 37 c C 2.957 176.993 174.090 -0.089 0.000 1.288 37 c CA 2.068 58.355 56.329 -0.069 0.000 1.764 37 c CB -1.308 41.182 42.510 -0.033 0.000 1.974 37 c HN 0.796 nan 8.230 nan 0.000 0.498 38 S N 0.524 116.146 115.700 -0.130 0.000 2.603 38 S HA -0.049 4.423 4.470 0.002 0.000 0.229 38 S C 0.476 174.991 174.600 -0.143 0.000 0.972 38 S CA 0.447 58.572 58.200 -0.126 0.000 0.935 38 S CB -1.071 62.042 63.200 -0.145 0.000 0.769 38 S HN 0.759 nan 8.310 nan 0.000 0.536 39 N N 1.865 120.469 118.700 -0.160 0.000 2.686 39 N HA -0.098 4.643 4.740 0.002 0.000 0.261 39 N C -2.060 173.358 175.510 -0.153 0.000 1.001 39 N CA 0.716 53.676 53.050 -0.150 0.000 0.764 39 N CB -0.578 37.837 38.487 -0.121 0.000 0.898 39 N HN 0.582 nan 8.380 nan 0.000 0.544 40 P HA 0.044 nan 4.420 nan 0.000 0.241 40 P C 0.024 177.301 177.300 -0.038 0.000 1.191 40 P CA 0.448 63.448 63.100 -0.167 0.000 0.771 40 P CB 0.118 31.581 31.700 -0.394 0.000 0.929 41 c N 2.619 121.199 118.600 -0.033 0.000 2.256 41 c HA 0.359 4.930 4.570 0.002 0.000 0.333 41 c C 0.817 174.880 174.090 -0.045 0.000 1.183 41 c CA -0.684 55.654 56.329 0.016 0.000 1.692 41 c CB -0.737 41.803 42.510 0.050 0.000 2.274 41 c HN 0.251 nan 8.230 nan 0.000 0.509 42 Q N 1.857 121.618 119.800 -0.065 0.000 2.318 42 Q HA 0.204 4.546 4.340 0.002 0.000 0.222 42 Q C 0.733 176.618 176.000 -0.191 0.000 1.003 42 Q CA 0.057 55.775 55.803 -0.142 0.000 0.936 42 Q CB 0.366 28.995 28.738 -0.181 0.000 1.204 42 Q HN 0.717 nan 8.270 nan 0.000 0.524 43 N N 1.014 119.546 118.700 -0.280 0.000 2.693 43 N HA -0.246 4.495 4.740 0.002 0.000 0.249 43 N C -0.598 174.856 175.510 -0.094 0.000 1.119 43 N CA 1.163 54.029 53.050 -0.308 0.000 0.717 43 N CB -0.336 37.669 38.487 -0.803 0.000 1.071 43 N HN 0.613 nan 8.380 nan 0.000 0.555 44 R N -4.041 116.415 120.500 -0.074 0.000 3.795 44 R HA -0.106 4.235 4.340 0.002 0.000 0.417 44 R C 0.863 177.171 176.300 0.014 0.000 1.081 44 R CA 0.953 57.037 56.100 -0.027 0.000 1.031 44 R CB -2.058 28.240 30.300 -0.003 0.000 1.671 44 R HN 0.395 nan 8.270 nan 0.000 0.523 45 G N 0.770 109.581 108.800 0.018 0.000 2.667 45 G HA2 0.282 4.243 3.960 0.002 0.000 0.250 45 G HA3 0.282 4.243 3.960 0.002 0.000 0.250 45 G C -0.046 174.885 174.900 0.052 0.000 1.212 45 G CA -0.288 44.843 45.100 0.053 0.000 0.874 45 G HN 0.183 nan 8.290 nan 0.000 0.561 46 E N -1.499 118.747 120.200 0.077 0.000 2.212 46 E HA 0.427 4.778 4.350 0.002 0.000 0.270 46 E C -1.082 175.578 176.600 0.100 0.000 0.956 46 E CA -0.591 55.863 56.400 0.090 0.000 0.825 46 E CB 2.219 31.993 29.700 0.124 0.000 1.167 46 E HN 0.393 nan 8.360 nan 0.000 0.400 47 c N 3.169 121.826 118.600 0.095 0.000 2.396 47 c HA 0.696 5.267 4.570 0.002 0.000 0.321 47 c C -1.098 173.068 174.090 0.126 0.000 1.233 47 c CA -0.411 55.994 56.329 0.127 0.000 1.440 47 c CB 0.162 42.720 42.510 0.081 0.000 2.110 47 c HN 0.733 nan 8.230 nan 0.000 0.473 48 M N 4.667 124.354 119.600 0.145 0.000 2.457 48 M HA 0.528 5.009 4.480 0.002 0.000 0.300 48 M C 0.251 176.624 176.300 0.122 0.000 1.141 48 M CA 0.054 55.421 55.300 0.112 0.000 0.901 48 M CB 2.315 34.960 32.600 0.075 0.000 1.687 48 M HN 0.793 nan 8.290 nan 0.000 0.449 49 S N 1.137 116.890 115.700 0.089 0.000 2.573 49 S HA 0.381 4.852 4.470 0.002 0.000 0.277 49 S C 0.644 175.259 174.600 0.026 0.000 1.346 49 S CA 0.298 58.543 58.200 0.074 0.000 1.034 49 S CB 0.202 63.415 63.200 0.021 0.000 0.879 49 S HN 0.946 nan 8.310 nan 0.000 0.528 50 T N -3.170 111.393 114.554 0.015 0.000 3.262 50 T HA 0.544 4.896 4.350 0.002 0.000 0.300 50 T C 0.591 175.267 174.700 -0.039 0.000 0.959 50 T CA 0.137 62.226 62.100 -0.019 0.000 0.936 50 T CB -0.040 68.820 68.868 -0.014 0.000 1.169 50 T HN 1.756 nan 8.240 nan 0.000 0.532 51 G N 0.257 109.021 108.800 -0.061 0.000 3.643 51 G HA2 0.345 4.306 3.960 0.002 0.000 0.232 51 G HA3 0.345 4.306 3.960 0.002 0.000 0.232 51 G C 0.081 175.034 174.900 0.088 0.000 3.381 51 G CA -0.079 44.979 45.100 -0.070 0.000 0.783 51 G HN 0.237 nan 8.290 nan 0.000 0.357 52 F N -0.364 119.612 119.950 0.043 0.000 2.544 52 F HA -0.205 4.323 4.527 0.003 0.000 0.702 52 F C 0.964 176.795 175.800 0.051 0.000 0.487 52 F CA 2.062 60.087 58.000 0.042 0.000 0.774 52 F CB -0.885 38.135 39.000 0.033 0.000 1.639 52 F HN 0.347 nan 8.300 nan 0.000 0.268 53 D N 1.376 121.935 120.400 0.266 0.000 2.945 53 D HA 0.284 4.925 4.640 0.002 0.000 0.366 53 D C -0.331 176.065 176.300 0.160 0.000 1.352 53 D CA 0.339 54.446 54.000 0.178 0.000 0.810 53 D CB 0.383 41.266 40.800 0.139 0.000 1.170 53 D HN 0.608 nan 8.370 nan 0.000 0.461 54 Q N -0.216 119.685 119.800 0.168 0.000 2.479 54 Q HA 0.475 4.816 4.340 0.002 0.000 0.276 54 Q C -1.505 174.610 176.000 0.193 0.000 0.989 54 Q CA -1.124 54.771 55.803 0.153 0.000 0.864 54 Q CB 1.707 30.486 28.738 0.068 0.000 1.444 54 Q HN 0.074 nan 8.270 nan 0.000 0.388 55 Y N -0.720 119.593 120.300 0.022 0.000 2.818 55 Y HA 0.899 5.450 4.550 0.002 0.000 0.322 55 Y C -1.691 174.218 175.900 0.015 0.000 1.323 55 Y CA -1.210 56.900 58.100 0.016 0.000 1.090 55 Y CB 1.843 40.313 38.460 0.016 0.000 1.328 55 Y HN 0.892 nan 8.280 nan 0.000 0.482 56 K N 0.408 120.798 120.400 -0.017 0.000 2.557 56 K HA 0.680 5.001 4.320 0.002 0.000 0.257 56 K C -2.251 174.396 176.600 0.079 0.000 0.933 56 K CA -0.242 55.980 56.287 -0.108 0.000 0.820 56 K CB 1.773 34.239 32.500 -0.057 0.000 1.330 56 K HN 0.974 nan 8.250 nan 0.000 0.432 57 c N 2.049 120.685 118.600 0.060 0.000 2.358 57 c HA 0.463 5.034 4.570 0.002 0.000 0.342 57 c C -0.612 173.525 174.090 0.078 0.000 1.234 57 c CA -0.502 55.896 56.329 0.115 0.000 1.969 57 c CB 0.815 43.407 42.510 0.137 0.000 2.346 57 c HN 0.825 nan 8.230 nan 0.000 0.525 58 D N 1.033 121.483 120.400 0.083 0.000 2.485 58 D HA 0.295 4.936 4.640 0.002 0.000 0.229 58 D C 0.291 176.641 176.300 0.082 0.000 1.101 58 D CA -0.365 53.679 54.000 0.074 0.000 0.906 58 D CB 0.305 41.147 40.800 0.070 0.000 1.019 58 D HN 0.637 nan 8.370 nan 0.000 0.516 59 c N 2.530 121.187 118.600 0.094 0.000 2.509 59 c HA 0.123 4.694 4.570 0.002 0.000 0.301 59 c C 0.832 174.987 174.090 0.109 0.000 1.317 59 c CA -0.442 55.959 56.329 0.120 0.000 1.667 59 c CB -2.074 40.534 42.510 0.163 0.000 1.717 59 c HN 0.481 nan 8.230 nan 0.000 0.595 60 T N 2.375 116.977 114.554 0.080 0.000 2.778 60 T HA 0.038 4.389 4.350 0.002 0.000 0.282 60 T C 0.886 175.626 174.700 0.066 0.000 0.983 60 T CA 0.478 62.616 62.100 0.063 0.000 1.193 60 T CB -0.124 68.772 68.868 0.045 0.000 0.938 60 T HN 0.671 nan 8.240 nan 0.000 0.523 61 R N 0.303 120.839 120.500 0.060 0.000 3.641 61 R HA -0.226 4.115 4.340 0.002 0.000 0.286 61 R C 1.500 177.850 176.300 0.082 0.000 1.153 61 R CA 1.004 57.137 56.100 0.055 0.000 0.775 61 R CB -2.718 27.605 30.300 0.039 0.000 1.215 61 R HN 0.918 nan 8.270 nan 0.000 0.474 62 T N -4.746 109.884 114.554 0.127 0.000 2.866 62 T HA 0.266 4.617 4.350 0.002 0.000 0.250 62 T C 1.536 176.369 174.700 0.222 0.000 1.033 62 T CA 1.039 63.262 62.100 0.206 0.000 1.145 62 T CB 0.523 69.559 68.868 0.281 0.000 0.866 62 T HN 0.718 nan 8.240 nan 0.000 0.434 63 G N 0.558 109.445 108.800 0.144 0.000 2.198 63 G HA2 0.010 3.971 3.960 0.002 0.000 0.156 63 G HA3 0.010 3.971 3.960 0.002 0.000 0.156 63 G C -0.235 174.467 174.900 -0.329 0.000 1.012 63 G CA -0.531 44.509 45.100 -0.099 0.000 0.692 63 G HN 0.506 nan 8.290 nan 0.000 0.492 64 F N 0.468 120.489 119.950 0.119 0.000 2.565 64 F HA 0.773 5.302 4.527 0.003 0.000 0.313 64 F C 0.443 176.343 175.800 0.168 0.000 1.091 64 F CA -1.310 56.742 58.000 0.086 0.000 0.915 64 F CB 1.385 40.381 39.000 -0.007 0.000 1.208 64 F HN 0.173 nan 8.300 nan 0.000 0.453 65 Y N -0.081 120.323 120.300 0.173 0.000 3.012 65 Y HA 0.928 5.480 4.550 0.002 0.000 0.324 65 Y C 0.578 176.542 175.900 0.106 0.000 1.342 65 Y CA -2.297 55.867 58.100 0.107 0.000 1.076 65 Y CB -0.351 38.143 38.460 0.057 0.000 1.372 65 Y HN 0.945 nan 8.280 nan 0.000 0.688 66 G N -0.023 108.910 108.800 0.222 0.000 2.785 66 G HA2 -0.279 3.682 3.960 0.002 0.000 0.685 66 G HA3 -0.279 3.682 3.960 0.002 0.000 0.685 66 G C 0.542 175.479 174.900 0.063 0.000 1.480 66 G CA 0.229 45.384 45.100 0.092 0.000 0.915 66 G HN 1.162 nan 8.290 nan 0.000 0.576 67 E N 0.184 120.406 120.200 0.036 0.000 2.245 67 E HA -0.307 4.044 4.350 0.002 0.000 0.217 67 E C 1.476 178.103 176.600 0.045 0.000 1.069 67 E CA 2.182 58.589 56.400 0.011 0.000 0.877 67 E CB -0.077 29.622 29.700 -0.002 0.000 0.757 67 E HN 0.490 nan 8.360 nan 0.000 0.464 68 N N -1.426 117.310 118.700 0.060 0.000 2.238 68 N HA 0.108 4.849 4.740 0.002 0.000 0.235 68 N C -0.808 174.723 175.510 0.036 0.000 1.209 68 N CA 0.575 53.673 53.050 0.081 0.000 0.879 68 N CB 0.596 39.129 38.487 0.076 0.000 1.136 68 N HN 0.163 nan 8.380 nan 0.000 0.517 69 c N 0.783 119.414 118.600 0.050 0.000 4.354 69 c HA -0.121 4.451 4.570 0.002 0.000 0.307 69 c C 1.829 175.911 174.090 -0.012 0.000 1.318 69 c CA 0.989 57.364 56.329 0.078 0.000 2.060 69 c CB -2.979 39.578 42.510 0.078 0.000 1.283 69 c HN 0.620 nan 8.230 nan 0.000 0.723 70 T N -3.659 110.890 114.554 -0.009 0.000 3.085 70 T HA 0.138 4.489 4.350 0.002 0.000 0.241 70 T C 0.533 175.317 174.700 0.140 0.000 0.988 70 T CA 0.954 63.023 62.100 -0.052 0.000 1.117 70 T CB -0.140 68.689 68.868 -0.065 0.000 0.978 70 T HN 0.619 nan 8.240 nan 0.000 0.454 71 T N 4.574 119.082 114.554 -0.077 0.000 2.769 71 T HA 0.387 4.738 4.350 0.002 0.000 0.293 71 T C -2.524 171.927 174.700 -0.415 0.000 0.931 71 T CA -1.252 60.680 62.100 -0.279 0.000 1.139 71 T CB 0.676 69.206 68.868 -0.563 0.000 0.881 71 T HN 0.290 nan 8.240 nan 0.000 0.532 72 P HA 0.280 nan 4.420 nan 0.000 0.276 72 P C -0.280 177.033 177.300 0.021 0.000 1.244 72 P CA -0.630 62.244 63.100 -0.377 0.000 0.801 72 P CB 1.124 32.550 31.700 -0.457 0.000 1.006 73 E N 0.324 120.546 120.200 0.036 0.000 2.349 73 E HA 0.069 4.420 4.350 0.002 0.000 0.265 73 E C 0.746 177.418 176.600 0.120 0.000 1.064 73 E CA -0.466 56.048 56.400 0.190 0.000 0.886 73 E CB 0.138 29.876 29.700 0.062 0.000 1.036 73 E HN 0.326 nan 8.360 nan 0.000 0.413 74 F N 2.001 121.952 119.950 0.001 0.000 2.048 74 F HA -0.296 4.232 4.527 0.002 0.000 0.296 74 F C 1.891 177.666 175.800 -0.041 0.000 1.109 74 F CA 1.725 59.715 58.000 -0.016 0.000 1.214 74 F CB -0.504 38.487 39.000 -0.014 0.000 0.963 74 F HN 0.484 nan 8.300 nan 0.000 0.491 75 L N 0.026 121.222 121.223 -0.046 0.000 2.129 75 L HA -0.223 4.118 4.340 0.002 0.000 0.212 75 L C 2.227 178.989 176.870 -0.181 0.000 1.087 75 L CA 2.533 57.274 54.840 -0.165 0.000 0.757 75 L CB -1.293 40.721 42.059 -0.076 0.000 0.896 75 L HN 0.262 nan 8.230 nan 0.000 0.434 76 T N -0.797 113.654 114.554 -0.170 0.000 2.708 76 T HA -0.179 4.172 4.350 0.002 0.000 0.266 76 T C 1.983 176.584 174.700 -0.165 0.000 1.037 76 T CA 1.551 63.521 62.100 -0.216 0.000 1.146 76 T CB -0.208 68.395 68.868 -0.442 0.000 0.865 76 T HN 0.346 nan 8.240 nan 0.000 0.435 77 R N 0.395 120.802 120.500 -0.154 0.000 2.097 77 R HA -0.096 4.245 4.340 0.002 0.000 0.236 77 R C 2.437 178.640 176.300 -0.162 0.000 1.135 77 R CA 1.487 57.519 56.100 -0.113 0.000 0.934 77 R CB -0.596 29.658 30.300 -0.077 0.000 0.846 77 R HN 0.278 nan 8.270 nan 0.000 0.431 78 I N 1.480 121.872 120.570 -0.297 0.000 2.145 78 I HA -0.333 3.838 4.170 0.002 0.000 0.244 78 I C 2.030 178.050 176.117 -0.160 0.000 1.075 78 I CA 1.739 62.866 61.300 -0.288 0.000 1.332 78 I CB -0.986 36.779 38.000 -0.391 0.000 1.033 78 I HN 0.178 nan 8.210 nan 0.000 0.410 79 K N 0.337 120.657 120.400 -0.133 0.000 2.137 79 K HA 0.056 4.378 4.320 0.002 0.000 0.202 79 K C 2.270 178.846 176.600 -0.041 0.000 1.052 79 K CA 0.538 56.777 56.287 -0.080 0.000 0.961 79 K CB -0.526 31.927 32.500 -0.077 0.000 0.741 79 K HN 0.320 nan 8.250 nan 0.000 0.452 80 L N 1.125 122.329 121.223 -0.031 0.000 2.013 80 L HA -0.166 4.175 4.340 0.002 0.000 0.212 80 L C 1.073 177.949 176.870 0.010 0.000 1.073 80 L CA 0.908 55.757 54.840 0.014 0.000 0.753 80 L CB -0.614 41.471 42.059 0.043 0.000 0.890 80 L HN 0.125 nan 8.230 nan 0.000 0.432 81 L N -1.863 119.353 121.223 -0.013 0.000 2.423 81 L HA 0.302 4.643 4.340 0.002 0.000 0.249 81 L C 0.237 177.096 176.870 -0.019 0.000 1.276 81 L CA 0.733 55.567 54.840 -0.009 0.000 1.199 81 L CB 0.486 42.536 42.059 -0.015 0.000 1.407 81 L HN 0.097 nan 8.230 nan 0.000 0.410 82 L N -0.507 120.711 121.223 -0.008 0.000 2.203 82 L HA 0.138 4.480 4.340 0.002 0.000 0.254 82 L C 0.654 177.529 176.870 0.008 0.000 1.162 82 L CA -0.207 54.626 54.840 -0.012 0.000 1.407 82 L CB 0.190 42.230 42.059 -0.032 0.000 2.645 82 L HN 0.482 nan 8.230 nan 0.000 0.525 83 K N 4.072 124.485 120.400 0.023 0.000 2.361 83 K HA 0.167 4.488 4.320 0.002 0.000 0.283 83 K C -2.123 174.515 176.600 0.063 0.000 1.078 83 K CA -1.126 55.192 56.287 0.053 0.000 1.041 83 K CB 0.405 32.945 32.500 0.066 0.000 0.932 83 K HN 0.074 nan 8.250 nan 0.000 0.462 84 P HA 0.030 nan 4.420 nan 0.000 0.278 84 P C -0.559 176.805 177.300 0.106 0.000 1.238 84 P CA -0.475 62.672 63.100 0.078 0.000 0.794 84 P CB 1.030 32.775 31.700 0.075 0.000 0.955 85 T N -0.931 113.685 114.554 0.103 0.000 2.898 85 T HA 0.166 4.518 4.350 0.002 0.000 0.301 85 T C -1.332 173.458 174.700 0.150 0.000 1.049 85 T CA -1.407 60.763 62.100 0.116 0.000 1.095 85 T CB 0.061 68.989 68.868 0.100 0.000 0.976 85 T HN 0.287 nan 8.240 nan 0.000 0.539 86 P HA -0.143 nan 4.420 nan 0.000 0.217 86 P C 0.948 178.384 177.300 0.226 0.000 1.148 86 P CA 1.204 64.416 63.100 0.187 0.000 0.828 86 P CB 0.077 31.869 31.700 0.154 0.000 0.783 87 N N -0.142 118.673 118.700 0.193 0.000 2.220 87 N HA -0.058 4.683 4.740 0.002 0.000 0.182 87 N C 1.621 177.289 175.510 0.264 0.000 1.023 87 N CA 1.843 55.028 53.050 0.224 0.000 0.856 87 N CB -1.346 37.237 38.487 0.160 0.000 0.997 87 N HN 0.256 nan 8.380 nan 0.000 0.429 88 T N -1.237 113.432 114.554 0.192 0.000 3.541 88 T HA 0.174 4.525 4.350 0.002 0.000 0.255 88 T C 1.350 176.175 174.700 0.208 0.000 1.158 88 T CA 0.188 62.390 62.100 0.170 0.000 1.000 88 T CB -0.251 68.675 68.868 0.096 0.000 1.008 88 T HN -0.084 nan 8.240 nan 0.000 0.568 89 V N -0.976 119.095 119.914 0.263 0.000 3.161 89 V HA 0.123 4.244 4.120 0.002 0.000 0.228 89 V C 2.226 178.488 176.094 0.280 0.000 1.415 89 V CA 0.050 62.496 62.300 0.244 0.000 1.285 89 V CB -0.175 31.775 31.823 0.212 0.000 1.100 89 V HN 0.538 nan 8.190 nan 0.000 0.478 90 H N -0.459 118.753 119.070 0.236 0.000 2.457 90 H HA -0.237 4.320 4.556 0.002 0.000 0.297 90 H C 2.129 177.639 175.328 0.304 0.000 1.092 90 H CA 2.448 58.644 56.048 0.247 0.000 1.309 90 H CB 0.153 30.075 29.762 0.266 0.000 1.382 90 H HN 0.555 nan 8.280 nan 0.000 0.535 91 Y N 1.172 121.676 120.300 0.340 0.000 2.089 91 Y HA -0.230 4.321 4.550 0.002 0.000 0.282 91 Y C 2.676 178.932 175.900 0.593 0.000 1.139 91 Y CA 2.041 60.421 58.100 0.467 0.000 1.123 91 Y CB -0.611 38.035 38.460 0.309 0.000 0.980 91 Y HN 0.070 nan 8.280 nan 0.000 0.493 92 I N -0.285 120.705 120.570 0.701 0.000 2.143 92 I HA -0.399 3.773 4.170 0.002 0.000 0.245 92 I C 2.274 178.748 176.117 0.596 0.000 1.068 92 I CA 1.211 62.910 61.300 0.664 0.000 1.326 92 I CB -0.674 37.522 38.000 0.326 0.000 1.028 92 I HN 0.313 nan 8.210 nan 0.000 0.412 93 L N 0.619 121.921 121.223 0.132 0.000 2.046 93 L HA -0.185 4.157 4.340 0.002 0.000 0.208 93 L C 2.900 179.604 176.870 -0.277 0.000 1.077 93 L CA 2.764 57.379 54.840 -0.376 0.000 0.747 93 L CB -1.890 39.564 42.059 -1.009 0.000 0.896 93 L HN 0.491 nan 8.230 nan 0.000 0.432 94 T N -4.528 109.918 114.554 -0.180 0.000 2.985 94 T HA -0.038 4.314 4.350 0.002 0.000 0.266 94 T C 1.251 175.891 174.700 -0.099 0.000 1.076 94 T CA 0.263 62.196 62.100 -0.278 0.000 1.135 94 T CB -0.180 68.428 68.868 -0.432 0.000 0.890 94 T HN 0.249 nan 8.240 nan 0.000 0.480 95 H N 0.616 119.818 119.070 0.221 0.000 2.560 95 H HA 0.299 4.856 4.556 0.002 0.000 0.266 95 H C 0.539 176.229 175.328 0.604 0.000 1.585 95 H CA -0.590 55.556 56.048 0.163 0.000 1.570 95 H CB -0.237 29.174 29.762 -0.586 0.000 1.687 95 H HN 0.226 nan 8.280 nan 0.000 0.837 96 F N -0.021 120.097 119.950 0.281 0.000 2.926 96 F HA -0.265 4.264 4.527 0.002 0.000 0.236 96 F C 1.811 177.625 175.800 0.023 0.000 1.013 96 F CA 0.789 58.844 58.000 0.092 0.000 0.826 96 F CB -1.688 37.285 39.000 -0.045 0.000 0.695 96 F HN 0.465 nan 8.300 nan 0.000 0.810 97 K N 0.926 121.327 120.400 0.001 0.000 2.207 97 K HA -0.260 4.061 4.320 0.002 0.000 0.208 97 K C 2.257 178.815 176.600 -0.070 0.000 1.046 97 K CA 1.794 57.850 56.287 -0.384 0.000 0.929 97 K CB -0.658 31.430 32.500 -0.688 0.000 0.720 97 K HN 0.614 nan 8.250 nan 0.000 0.463 98 G N 0.511 109.298 108.800 -0.023 0.000 2.433 98 G HA2 -0.211 3.751 3.960 0.002 0.000 0.216 98 G HA3 -0.211 3.751 3.960 0.002 0.000 0.216 98 G C 1.547 176.434 174.900 -0.022 0.000 1.186 98 G CA 0.900 45.994 45.100 -0.011 0.000 0.779 98 G HN 0.202 nan 8.290 nan 0.000 0.543 99 V N -0.073 119.795 119.914 -0.078 0.000 2.282 99 V HA -0.232 3.889 4.120 0.002 0.000 0.249 99 V C 2.483 178.441 176.094 -0.228 0.000 1.057 99 V CA 2.024 64.186 62.300 -0.230 0.000 1.032 99 V CB -0.758 30.795 31.823 -0.449 0.000 0.645 99 V HN 0.615 nan 8.190 nan 0.000 0.447 100 W N -0.055 121.268 121.300 0.039 0.000 2.374 100 W HA -0.147 4.514 4.660 0.002 0.000 0.288 100 W C 2.128 178.681 176.519 0.057 0.000 1.218 100 W CA 1.192 58.584 57.345 0.079 0.000 1.245 100 W CB -0.428 29.102 29.460 0.118 0.000 1.126 100 W HN 0.218 nan 8.180 nan 0.000 0.545 101 N N 0.069 118.885 118.700 0.193 0.000 2.421 101 N HA -0.023 4.719 4.740 0.002 0.000 0.201 101 N C 1.035 176.584 175.510 0.064 0.000 1.198 101 N CA 0.157 53.276 53.050 0.115 0.000 0.838 101 N CB 0.026 38.551 38.487 0.063 0.000 1.011 101 N HN -0.014 nan 8.380 nan 0.000 0.463 102 I N -1.529 119.074 120.570 0.055 0.000 3.518 102 I HA 0.003 4.174 4.170 0.002 0.000 0.260 102 I C 1.988 178.118 176.117 0.020 0.000 1.148 102 I CA 0.481 61.785 61.300 0.006 0.000 1.440 102 I CB -0.977 37.001 38.000 -0.037 0.000 1.485 102 I HN -0.101 nan 8.210 nan 0.000 0.456 103 V N 2.007 121.955 119.914 0.055 0.000 2.252 103 V HA -0.283 3.838 4.120 0.002 0.000 0.249 103 V C 1.413 177.614 176.094 0.179 0.000 1.056 103 V CA 1.908 64.278 62.300 0.118 0.000 1.022 103 V CB -1.012 30.948 31.823 0.229 0.000 0.641 103 V HN 0.403 nan 8.190 nan 0.000 0.445 104 N N 0.320 119.173 118.700 0.255 0.000 2.799 104 N HA -0.046 4.695 4.740 0.002 0.000 0.205 104 N C 0.164 175.708 175.510 0.057 0.000 1.640 104 N CA 0.282 53.434 53.050 0.170 0.000 0.942 104 N CB -1.259 37.316 38.487 0.147 0.000 1.262 104 N HN 0.498 nan 8.380 nan 0.000 0.485 105 I N -0.154 120.278 120.570 -0.230 0.000 2.752 105 I HA -0.299 3.872 4.170 0.002 0.000 0.126 105 I C -1.215 174.586 176.117 -0.528 0.000 0.884 105 I CA -0.563 60.389 61.300 -0.579 0.000 2.786 105 I CB -0.121 37.630 38.000 -0.415 0.000 0.573 105 I HN 0.139 nan 8.210 nan 0.000 0.352 106 P HA -0.233 nan 4.420 nan 0.000 0.218 106 P C 1.330 178.677 177.300 0.079 0.000 1.150 106 P CA 1.760 64.797 63.100 -0.105 0.000 0.841 106 P CB 0.046 31.772 31.700 0.043 0.000 0.784 107 F N -1.394 118.600 119.950 0.074 0.000 2.075 107 F HA -0.089 4.439 4.527 0.002 0.000 0.297 107 F C 2.406 178.252 175.800 0.077 0.000 1.113 107 F CA 0.455 58.494 58.000 0.065 0.000 1.218 107 F CB -2.000 37.029 39.000 0.049 0.000 0.984 107 F HN -0.153 nan 8.300 nan 0.000 0.472 108 L N -0.331 120.965 121.223 0.122 0.000 2.056 108 L HA -0.161 4.180 4.340 0.002 0.000 0.207 108 L C 2.870 179.828 176.870 0.146 0.000 1.078 108 L CA 1.143 56.042 54.840 0.098 0.000 0.749 108 L CB -0.310 41.767 42.059 0.030 0.000 0.901 108 L HN 0.132 nan 8.230 nan 0.000 0.433 109 R N -0.067 120.543 120.500 0.184 0.000 2.075 109 R HA -0.206 4.135 4.340 0.002 0.000 0.230 109 R C 2.543 179.062 176.300 0.365 0.000 1.140 109 R CA 2.214 58.536 56.100 0.369 0.000 0.928 109 R CB -0.387 30.067 30.300 0.257 0.000 0.834 109 R HN 0.463 nan 8.270 nan 0.000 0.429 110 S N 0.787 116.628 115.700 0.236 0.000 2.387 110 S HA -0.209 4.262 4.470 0.002 0.000 0.230 110 S C 2.138 176.839 174.600 0.168 0.000 1.035 110 S CA 1.423 59.736 58.200 0.189 0.000 1.014 110 S CB -0.663 62.619 63.200 0.136 0.000 0.836 110 S HN 0.429 nan 8.310 nan 0.000 0.466 111 L N 0.452 121.766 121.223 0.151 0.000 2.083 111 L HA -0.054 4.287 4.340 0.002 0.000 0.209 111 L C 2.439 179.359 176.870 0.082 0.000 1.083 111 L CA 1.163 56.069 54.840 0.109 0.000 0.752 111 L CB -0.315 41.801 42.059 0.095 0.000 0.899 111 L HN 0.333 nan 8.230 nan 0.000 0.433 112 I N -1.043 119.549 120.570 0.036 0.000 2.202 112 I HA -0.301 3.871 4.170 0.002 0.000 0.242 112 I C 2.482 178.567 176.117 -0.054 0.000 1.091 112 I CA 1.377 62.574 61.300 -0.172 0.000 1.368 112 I CB -0.784 36.742 38.000 -0.790 0.000 1.058 112 I HN 0.380 nan 8.210 nan 0.000 0.410 113 M N 1.147 120.857 119.600 0.183 0.000 2.213 113 M HA -0.198 4.283 4.480 0.002 0.000 0.263 113 M C 2.175 178.572 176.300 0.161 0.000 1.062 113 M CA 1.762 57.251 55.300 0.315 0.000 1.105 113 M CB -0.496 32.349 32.600 0.408 0.000 1.385 113 M HN 0.008 nan 8.290 nan 0.000 0.417 114 K N -1.333 119.143 120.400 0.127 0.000 2.057 114 K HA -0.237 4.084 4.320 0.002 0.000 0.207 114 K C 2.108 178.758 176.600 0.084 0.000 1.049 114 K CA 1.789 58.122 56.287 0.077 0.000 0.931 114 K CB -0.475 32.072 32.500 0.078 0.000 0.714 114 K HN 0.501 nan 8.250 nan 0.000 0.440 115 Y N 1.077 121.390 120.300 0.021 0.000 2.145 115 Y HA -0.224 4.327 4.550 0.002 0.000 0.286 115 Y C 1.934 177.862 175.900 0.046 0.000 1.145 115 Y CA 1.662 59.775 58.100 0.022 0.000 1.148 115 Y CB -0.636 37.821 38.460 -0.006 0.000 0.981 115 Y HN -0.035 nan 8.280 nan 0.000 0.507 116 V N -0.263 119.538 119.914 -0.189 0.000 2.392 116 V HA -0.225 3.896 4.120 0.002 0.000 0.249 116 V C 2.132 178.147 176.094 -0.132 0.000 1.059 116 V CA 2.083 64.255 62.300 -0.213 0.000 1.051 116 V CB -0.980 30.886 31.823 0.071 0.000 0.658 116 V HN 0.428 nan 8.190 nan 0.000 0.455 117 L N 1.739 122.932 121.223 -0.050 0.000 2.056 117 L HA -0.056 4.285 4.340 0.002 0.000 0.207 117 L C 2.886 179.716 176.870 -0.067 0.000 1.078 117 L CA 2.815 57.631 54.840 -0.039 0.000 0.749 117 L CB -1.216 40.818 42.059 -0.042 0.000 0.901 117 L HN 0.790 nan 8.230 nan 0.000 0.433 118 T N -4.188 110.317 114.554 -0.081 0.000 2.770 118 T HA -0.114 4.237 4.350 0.002 0.000 0.258 118 T C 2.121 176.816 174.700 -0.010 0.000 1.039 118 T CA 1.196 63.279 62.100 -0.028 0.000 1.143 118 T CB -0.858 68.020 68.868 0.016 0.000 0.866 118 T HN 0.388 nan 8.240 nan 0.000 0.428 119 S N 2.755 118.376 115.700 -0.133 0.000 2.381 119 S HA -0.271 4.201 4.470 0.002 0.000 0.230 119 S C 2.255 176.917 174.600 0.104 0.000 1.052 119 S CA 1.137 59.306 58.200 -0.051 0.000 1.068 119 S CB -0.734 62.241 63.200 -0.374 0.000 0.918 119 S HN 0.443 nan 8.310 nan 0.000 0.448 120 R N 1.333 121.828 120.500 -0.009 0.000 2.092 120 R HA 0.075 4.416 4.340 0.002 0.000 0.231 120 R C 2.751 179.001 176.300 -0.083 0.000 1.119 120 R CA 1.214 57.291 56.100 -0.037 0.000 0.970 120 R CB -1.246 29.047 30.300 -0.011 0.000 0.864 120 R HN 0.511 nan 8.270 nan 0.000 0.440 121 S N 1.278 116.983 115.700 0.007 0.000 2.400 121 S HA -0.230 4.242 4.470 0.002 0.000 0.234 121 S C 1.695 176.295 174.600 0.000 0.000 1.049 121 S CA 1.956 60.176 58.200 0.033 0.000 1.039 121 S CB -0.548 62.742 63.200 0.149 0.000 0.856 121 S HN 0.594 nan 8.310 nan 0.000 0.465 122 Y N 0.654 120.940 120.300 -0.025 0.000 2.651 122 Y HA 0.090 4.641 4.550 0.002 0.000 0.296 122 Y C 1.365 177.209 175.900 -0.093 0.000 1.150 122 Y CA 0.398 58.473 58.100 -0.042 0.000 1.348 122 Y CB -0.276 38.173 38.460 -0.019 0.000 0.983 122 Y HN 0.114 nan 8.280 nan 0.000 0.555 123 L N 0.615 121.474 121.223 -0.606 0.000 2.529 123 L HA 0.224 4.565 4.340 0.002 0.000 0.223 123 L C 0.009 176.580 176.870 -0.498 0.000 1.113 123 L CA 0.191 54.618 54.840 -0.688 0.000 0.861 123 L CB -0.714 40.921 42.059 -0.707 0.000 1.012 123 L HN 0.235 nan 8.230 nan 0.000 0.461 124 I N -0.761 119.615 120.570 -0.324 0.000 2.493 124 I HA 0.256 4.428 4.170 0.002 0.000 0.298 124 I C -0.101 175.921 176.117 -0.158 0.000 0.998 124 I CA -0.638 60.507 61.300 -0.258 0.000 1.137 124 I CB 1.217 39.077 38.000 -0.234 0.000 1.310 124 I HN -0.177 nan 8.210 nan 0.000 0.445 125 D N 3.408 123.737 120.400 -0.117 0.000 2.277 125 D HA 0.448 5.089 4.640 0.002 0.000 0.249 125 D C -0.623 175.628 176.300 -0.082 0.000 1.134 125 D CA 0.164 54.115 54.000 -0.082 0.000 0.863 125 D CB 1.299 42.066 40.800 -0.056 0.000 1.143 125 D HN 0.322 nan 8.370 nan 0.000 0.458 126 S N 1.875 117.524 115.700 -0.086 0.000 2.750 126 S HA 0.423 4.894 4.470 0.002 0.000 0.276 126 S C -2.561 171.999 174.600 -0.066 0.000 1.165 126 S CA -1.052 57.092 58.200 -0.093 0.000 1.047 126 S CB 1.218 64.322 63.200 -0.160 0.000 1.056 126 S HN 0.162 nan 8.310 nan 0.000 0.481 127 P HA 0.320 nan 4.420 nan 0.000 0.274 127 P C -2.444 174.855 177.300 -0.002 0.000 1.231 127 P CA -1.064 62.051 63.100 0.025 0.000 0.790 127 P CB 0.006 31.820 31.700 0.192 0.000 0.951 128 P HA -0.092 nan 4.420 nan 0.000 0.269 128 P C 0.034 177.290 177.300 -0.073 0.000 1.205 128 P CA 0.370 63.434 63.100 -0.060 0.000 0.780 128 P CB 0.535 32.171 31.700 -0.108 0.000 0.858 129 T N -1.100 113.383 114.554 -0.117 0.000 3.066 129 T HA 0.194 4.546 4.350 0.002 0.000 0.176 129 T C 0.576 175.091 174.700 -0.307 0.000 0.826 129 T CA -0.079 61.849 62.100 -0.286 0.000 1.280 129 T CB -0.795 67.806 68.868 -0.444 0.000 2.214 129 T HN 0.236 nan 8.240 nan 0.000 0.399 130 Y N 3.802 124.079 120.300 -0.038 0.000 2.335 130 Y HA 0.510 5.062 4.550 0.003 0.000 0.348 130 Y C 1.053 176.907 175.900 -0.077 0.000 1.280 130 Y CA -0.107 57.961 58.100 -0.052 0.000 1.504 130 Y CB 0.231 38.662 38.460 -0.048 0.000 1.366 130 Y HN 0.774 nan 8.280 nan 0.000 0.621 131 N N -3.078 115.674 118.700 0.086 0.000 2.825 131 N HA 0.108 4.849 4.740 0.002 0.000 0.253 131 N C 0.012 175.458 175.510 -0.106 0.000 1.426 131 N CA -0.506 52.511 53.050 -0.054 0.000 0.851 131 N CB 0.639 38.984 38.487 -0.237 0.000 1.470 131 N HN 0.310 nan 8.380 nan 0.000 0.517 132 V N 0.657 120.472 119.914 -0.166 0.000 2.285 132 V HA -0.339 3.782 4.120 0.002 0.000 0.260 132 V C 1.441 177.365 176.094 -0.283 0.000 1.089 132 V CA 2.658 64.799 62.300 -0.266 0.000 1.082 132 V CB -1.432 30.097 31.823 -0.489 0.000 0.681 132 V HN 0.817 nan 8.190 nan 0.000 0.452 133 H N -3.228 115.764 119.070 -0.130 0.000 2.586 133 H HA 0.333 4.891 4.556 0.002 0.000 0.273 133 H C -0.537 174.313 175.328 -0.797 0.000 0.997 133 H CA -0.196 55.631 56.048 -0.368 0.000 1.177 133 H CB 0.280 29.830 29.762 -0.353 0.000 1.471 133 H HN 0.483 nan 8.280 nan 0.000 0.538 134 Y N -0.301 119.890 120.300 -0.181 0.000 2.327 134 Y HA 0.339 4.890 4.550 0.003 0.000 0.325 134 Y C 0.948 176.748 175.900 -0.168 0.000 0.999 134 Y CA -0.935 56.932 58.100 -0.388 0.000 1.195 134 Y CB 1.954 40.150 38.460 -0.441 0.000 1.132 134 Y HN 0.118 nan 8.280 nan 0.000 0.455 135 G N 2.079 110.801 108.800 -0.129 0.000 2.939 135 G HA2 0.027 3.988 3.960 0.002 0.000 0.210 135 G HA3 0.027 3.988 3.960 0.002 0.000 0.210 135 G C -0.236 174.841 174.900 0.295 0.000 1.160 135 G CA 0.276 45.367 45.100 -0.015 0.000 0.770 135 G HN 0.536 nan 8.290 nan 0.000 0.543 136 Y N -1.995 118.574 120.300 0.448 0.000 2.562 136 Y HA 0.622 5.173 4.550 0.002 0.000 0.343 136 Y C 1.162 177.204 175.900 0.237 0.000 1.025 136 Y CA -2.156 56.179 58.100 0.392 0.000 1.082 136 Y CB 0.998 39.597 38.460 0.231 0.000 1.264 136 Y HN -0.250 nan 8.280 nan 0.000 0.478 137 K N 1.393 121.924 120.400 0.219 0.000 2.001 137 K HA -0.171 4.150 4.320 0.002 0.000 0.214 137 K C 0.535 177.121 176.600 -0.024 0.000 1.050 137 K CA 1.860 58.100 56.287 -0.077 0.000 0.934 137 K CB -0.765 31.666 32.500 -0.116 0.000 0.718 137 K HN 1.067 nan 8.250 nan 0.000 0.443 138 S N -0.933 114.854 115.700 0.144 0.000 3.599 138 S HA -0.228 4.243 4.470 0.002 0.000 0.840 138 S C 0.496 175.072 174.600 -0.039 0.000 1.349 138 S CA 0.670 58.893 58.200 0.038 0.000 0.947 138 S CB -1.138 61.936 63.200 -0.209 0.000 0.426 138 S HN 0.591 nan 8.310 nan 0.000 0.402 139 W N 2.417 123.650 121.300 -0.112 0.000 2.481 139 W HA -0.003 4.658 4.660 0.002 0.000 0.293 139 W C 2.059 178.549 176.519 -0.049 0.000 1.201 139 W CA 1.584 58.898 57.345 -0.052 0.000 1.328 139 W CB -0.686 28.752 29.460 -0.036 0.000 1.112 139 W HN 1.095 nan 8.180 nan 0.000 0.546 140 E N 1.455 121.607 120.200 -0.079 0.000 2.086 140 E HA -0.249 4.102 4.350 0.002 0.000 0.200 140 E C 2.122 178.515 176.600 -0.345 0.000 1.012 140 E CA 2.814 59.111 56.400 -0.172 0.000 0.812 140 E CB -0.775 28.806 29.700 -0.198 0.000 0.743 140 E HN 0.118 nan 8.360 nan 0.000 0.453 141 A N 0.033 122.518 122.820 -0.558 0.000 1.873 141 A HA -0.178 4.144 4.320 0.002 0.000 0.218 141 A C 2.298 179.662 177.584 -0.367 0.000 1.193 141 A CA 1.761 53.518 52.037 -0.467 0.000 0.629 141 A CB -1.203 17.561 19.000 -0.392 0.000 0.826 141 A HN 0.537 nan 8.150 nan 0.000 0.447 142 F N 1.952 121.593 119.950 -0.515 0.000 2.146 142 F HA -0.173 4.356 4.527 0.002 0.000 0.298 142 F C 2.635 178.081 175.800 -0.589 0.000 1.096 142 F CA 1.936 59.590 58.000 -0.577 0.000 1.275 142 F CB -0.348 38.178 39.000 -0.791 0.000 1.008 142 F HN 0.314 nan 8.300 nan 0.000 0.480 143 S N -0.066 115.282 115.700 -0.586 0.000 2.338 143 S HA -0.189 4.283 4.470 0.002 0.000 0.218 143 S C 1.136 175.564 174.600 -0.288 0.000 1.032 143 S CA 0.630 58.575 58.200 -0.425 0.000 0.999 143 S CB -1.133 61.979 63.200 -0.147 0.000 0.905 143 S HN 0.396 nan 8.310 nan 0.000 0.439 144 N N 2.281 120.906 118.700 -0.124 0.000 2.394 144 N HA 0.043 4.784 4.740 0.002 0.000 0.282 144 N C 0.480 176.015 175.510 0.042 0.000 1.351 144 N CA 0.070 53.156 53.050 0.059 0.000 0.936 144 N CB -0.135 38.543 38.487 0.319 0.000 1.274 144 N HN 0.444 nan 8.380 nan 0.000 0.489 145 L N 1.571 122.778 121.223 -0.026 0.000 2.551 145 L HA -0.048 4.293 4.340 0.002 0.000 0.228 145 L C 1.812 178.779 176.870 0.162 0.000 1.153 145 L CA 0.329 55.143 54.840 -0.042 0.000 0.851 145 L CB -0.112 41.885 42.059 -0.103 0.000 0.959 145 L HN 0.387 nan 8.230 nan 0.000 0.451 146 S N -1.457 114.335 115.700 0.153 0.000 2.522 146 S HA 0.007 4.478 4.470 0.002 0.000 0.227 146 S C 0.315 174.938 174.600 0.038 0.000 0.986 146 S CA 0.415 58.684 58.200 0.115 0.000 0.929 146 S CB -0.127 63.156 63.200 0.138 0.000 0.769 146 S HN 0.226 nan 8.310 nan 0.000 0.529 147 Y N -0.218 120.063 120.300 -0.032 0.000 2.376 147 Y HA 0.429 4.980 4.550 0.002 0.000 0.325 147 Y C -0.062 175.760 175.900 -0.130 0.000 1.199 147 Y CA -1.142 56.812 58.100 -0.244 0.000 1.206 147 Y CB 0.476 38.804 38.460 -0.219 0.000 1.229 147 Y HN 0.010 nan 8.280 nan 0.000 0.480 148 Y N 0.511 120.838 120.300 0.044 0.000 2.301 148 Y HA 0.188 4.740 4.550 0.002 0.000 0.325 148 Y C 0.976 176.918 175.900 0.070 0.000 1.203 148 Y CA -0.254 57.877 58.100 0.052 0.000 1.255 148 Y CB 1.184 39.642 38.460 -0.004 0.000 1.232 148 Y HN 0.602 nan 8.280 nan 0.000 0.501 149 T N 1.747 116.462 114.554 0.268 0.000 2.715 149 T HA 0.391 4.743 4.350 0.002 0.000 0.320 149 T C -0.688 174.103 174.700 0.151 0.000 1.046 149 T CA -0.346 61.846 62.100 0.154 0.000 0.983 149 T CB 0.380 69.317 68.868 0.116 0.000 1.183 149 T HN 0.620 nan 8.240 nan 0.000 0.522 150 R N -0.091 120.491 120.500 0.137 0.000 2.605 150 R HA 0.594 4.935 4.340 0.002 0.000 0.291 150 R C 0.565 176.978 176.300 0.187 0.000 1.226 150 R CA 0.223 56.398 56.100 0.127 0.000 0.981 150 R CB 0.336 30.658 30.300 0.037 0.000 1.215 150 R HN 0.658 nan 8.270 nan 0.000 0.428 151 A N 4.255 127.252 122.820 0.295 0.000 2.084 151 A HA 0.034 4.356 4.320 0.002 0.000 0.221 151 A C 0.383 178.038 177.584 0.119 0.000 1.161 151 A CA 1.106 53.325 52.037 0.303 0.000 0.653 151 A CB -0.139 19.242 19.000 0.634 0.000 0.802 151 A HN 0.520 nan 8.150 nan 0.000 0.457 152 L N -0.163 121.078 121.223 0.029 0.000 2.493 152 L HA 0.335 4.676 4.340 0.002 0.000 0.265 152 L C -2.569 174.152 176.870 -0.248 0.000 0.954 152 L CA -2.452 52.258 54.840 -0.216 0.000 0.844 152 L CB 2.881 44.630 42.059 -0.516 0.000 1.302 152 L HN -0.042 nan 8.230 nan 0.000 0.405 153 P HA 0.107 nan 4.420 nan 0.000 0.269 153 P C -2.706 174.445 177.300 -0.250 0.000 1.211 153 P CA -0.776 62.079 63.100 -0.408 0.000 0.781 153 P CB -0.184 31.098 31.700 -0.697 0.000 0.877 154 P HA 0.072 nan 4.420 nan 0.000 0.288 154 P C -0.517 176.734 177.300 -0.083 0.000 1.291 154 P CA -0.097 62.941 63.100 -0.103 0.000 0.766 154 P CB 0.264 31.922 31.700 -0.071 0.000 1.242 155 V N 0.020 119.918 119.914 -0.026 0.000 2.435 155 V HA 0.441 4.563 4.120 0.002 0.000 0.290 155 V C 0.239 176.329 176.094 -0.007 0.000 1.030 155 V CA -0.966 61.323 62.300 -0.018 0.000 0.881 155 V CB 0.674 32.507 31.823 0.016 0.000 0.983 155 V HN 0.648 nan 8.190 nan 0.000 0.445 156 A N 3.221 126.034 122.820 -0.012 0.000 2.572 156 A HA -0.024 4.297 4.320 0.002 0.000 0.256 156 A C 1.006 178.602 177.584 0.021 0.000 1.041 156 A CA 0.069 52.110 52.037 0.008 0.000 0.790 156 A CB -0.382 18.626 19.000 0.013 0.000 0.947 156 A HN 0.946 nan 8.150 nan 0.000 0.518 157 D N 1.116 121.532 120.400 0.028 0.000 2.389 157 D HA -0.108 4.534 4.640 0.002 0.000 0.221 157 D C 0.975 177.298 176.300 0.039 0.000 0.974 157 D CA 1.782 55.804 54.000 0.036 0.000 0.923 157 D CB 0.205 41.028 40.800 0.039 0.000 0.892 157 D HN 0.768 nan 8.370 nan 0.000 0.518 158 D N -0.760 119.663 120.400 0.039 0.000 2.462 158 D HA -0.001 4.641 4.640 0.002 0.000 0.221 158 D C -0.237 176.085 176.300 0.036 0.000 1.173 158 D CA -0.383 53.642 54.000 0.042 0.000 0.831 158 D CB -0.831 40.000 40.800 0.052 0.000 1.001 158 D HN 0.011 nan 8.370 nan 0.000 0.499 159 c N 2.336 120.954 118.600 0.030 0.000 2.605 159 c HA 0.242 4.813 4.570 0.002 0.000 0.404 159 c C -0.186 173.920 174.090 0.027 0.000 1.284 159 c CA -1.030 55.313 56.329 0.023 0.000 2.199 159 c CB 1.581 44.099 42.510 0.014 0.000 2.647 159 c HN 0.260 nan 8.230 nan 0.000 0.604 160 P HA -0.079 nan 4.420 nan 0.000 0.215 160 P C 0.488 177.806 177.300 0.030 0.000 1.157 160 P CA 1.763 64.879 63.100 0.026 0.000 0.868 160 P CB -0.188 31.526 31.700 0.023 0.000 0.788 161 T N -5.809 108.764 114.554 0.031 0.000 2.942 161 T HA 0.446 4.797 4.350 0.002 0.000 0.289 161 T C -2.318 172.409 174.700 0.045 0.000 1.044 161 T CA -2.288 59.836 62.100 0.040 0.000 1.023 161 T CB 1.755 70.650 68.868 0.044 0.000 1.123 161 T HN -0.275 nan 8.240 nan 0.000 0.512 162 P HA 0.010 nan 4.420 nan 0.000 0.222 162 P C 0.791 178.134 177.300 0.071 0.000 1.142 162 P CA 1.033 64.173 63.100 0.068 0.000 0.788 162 P CB 0.042 31.791 31.700 0.082 0.000 0.767 163 M N -2.643 116.993 119.600 0.061 0.000 2.596 163 M HA 0.365 4.847 4.480 0.002 0.000 0.364 163 M C 1.098 177.411 176.300 0.021 0.000 1.158 163 M CA 0.271 55.601 55.300 0.051 0.000 0.940 163 M CB 0.399 33.033 32.600 0.056 0.000 1.388 163 M HN 0.062 nan 8.290 nan 0.000 0.522 164 G N 1.142 109.953 108.800 0.017 0.000 3.146 164 G HA2 -0.269 3.693 3.960 0.002 0.000 0.242 164 G HA3 -0.269 3.693 3.960 0.002 0.000 0.242 164 G C 0.360 175.262 174.900 0.003 0.000 1.853 164 G CA 0.526 45.624 45.100 -0.003 0.000 1.465 164 G HN 0.384 nan 8.290 nan 0.000 0.537 165 V N -1.980 117.934 119.914 0.000 0.000 3.371 165 V HA 0.520 4.641 4.120 0.002 0.000 0.246 165 V C 0.909 177.014 176.094 0.019 0.000 1.303 165 V CA 1.236 63.540 62.300 0.007 0.000 1.156 165 V CB 0.046 31.866 31.823 -0.005 0.000 0.929 165 V HN 0.417 nan 8.190 nan 0.000 0.459 166 K N 1.921 122.334 120.400 0.021 0.000 2.350 166 K HA 0.525 4.846 4.320 0.002 0.000 0.279 166 K C 0.685 177.318 176.600 0.056 0.000 1.027 166 K CA 1.062 57.370 56.287 0.035 0.000 0.969 166 K CB 0.711 33.230 32.500 0.031 0.000 0.954 166 K HN 0.798 nan 8.250 nan 0.000 0.474 167 G N 2.375 111.213 108.800 0.065 0.000 2.512 167 G HA2 -0.218 3.743 3.960 0.002 0.000 0.210 167 G HA3 -0.218 3.743 3.960 0.002 0.000 0.210 167 G C -0.883 174.057 174.900 0.066 0.000 1.295 167 G CA -0.824 44.326 45.100 0.084 0.000 0.934 167 G HN 0.623 nan 8.290 nan 0.000 0.554 168 N N 0.050 118.791 118.700 0.069 0.000 2.459 168 N HA 0.283 5.024 4.740 0.002 0.000 0.288 168 N C 1.387 176.926 175.510 0.047 0.000 1.186 168 N CA -0.134 52.947 53.050 0.050 0.000 0.917 168 N CB 1.715 40.227 38.487 0.041 0.000 1.219 168 N HN 0.750 nan 8.380 nan 0.000 0.525 169 K N 0.424 120.846 120.400 0.037 0.000 2.144 169 K HA -0.221 4.100 4.320 0.002 0.000 0.209 169 K C -0.332 176.291 176.600 0.038 0.000 1.047 169 K CA 1.743 58.050 56.287 0.034 0.000 0.927 169 K CB 0.194 32.710 32.500 0.026 0.000 0.716 169 K HN 0.508 nan 8.250 nan 0.000 0.454 170 E N -0.852 119.371 120.200 0.037 0.000 2.355 170 E HA 0.447 4.798 4.350 0.002 0.000 0.261 170 E C -1.549 175.081 176.600 0.050 0.000 0.943 170 E CA -0.863 55.560 56.400 0.038 0.000 0.806 170 E CB 1.394 31.108 29.700 0.024 0.000 1.286 170 E HN -0.060 nan 8.360 nan 0.000 0.424 171 L N 1.319 122.574 121.223 0.054 0.000 2.354 171 L HA 0.528 4.869 4.340 0.002 0.000 0.269 171 L C -2.432 174.447 176.870 0.015 0.000 1.005 171 L CA -2.181 52.705 54.840 0.077 0.000 0.819 171 L CB 1.248 43.382 42.059 0.125 0.000 1.311 171 L HN 0.378 nan 8.230 nan 0.000 0.423 172 P HA -0.129 nan 4.420 nan 0.000 0.264 172 P C -0.780 176.472 177.300 -0.081 0.000 1.156 172 P CA 0.283 63.281 63.100 -0.170 0.000 0.756 172 P CB 0.231 31.655 31.700 -0.460 0.000 0.764 173 D N 2.074 122.429 120.400 -0.076 0.000 2.472 173 D HA -0.065 4.576 4.640 0.002 0.000 0.248 173 D C 1.079 177.359 176.300 -0.032 0.000 1.174 173 D CA 0.569 54.544 54.000 -0.041 0.000 0.883 173 D CB 0.767 41.541 40.800 -0.042 0.000 1.149 173 D HN 0.362 nan 8.370 nan 0.000 0.488 174 S N 4.173 119.871 115.700 -0.002 0.000 2.370 174 S HA -0.266 4.205 4.470 0.002 0.000 0.226 174 S C 1.774 176.380 174.600 0.011 0.000 1.033 174 S CA 1.126 59.338 58.200 0.020 0.000 1.011 174 S CB -0.081 63.138 63.200 0.032 0.000 0.852 174 S HN 0.513 nan 8.310 nan 0.000 0.457 175 K N 1.389 121.788 120.400 -0.000 0.000 2.057 175 K HA -0.039 4.282 4.320 0.002 0.000 0.207 175 K C 2.326 178.916 176.600 -0.016 0.000 1.049 175 K CA 1.413 57.697 56.287 -0.005 0.000 0.931 175 K CB -0.301 32.194 32.500 -0.009 0.000 0.714 175 K HN 0.319 nan 8.250 nan 0.000 0.440 176 E N 0.027 120.209 120.200 -0.030 0.000 2.031 176 E HA -0.143 4.208 4.350 0.002 0.000 0.193 176 E C 1.996 178.568 176.600 -0.047 0.000 0.994 176 E CA 1.562 57.934 56.400 -0.046 0.000 0.800 176 E CB -0.241 29.419 29.700 -0.068 0.000 0.752 176 E HN 0.148 nan 8.360 nan 0.000 0.447 177 V N 2.390 122.277 119.914 -0.046 0.000 2.407 177 V HA -0.245 3.876 4.120 0.002 0.000 0.248 177 V C 2.594 178.686 176.094 -0.002 0.000 1.055 177 V CA 1.323 63.608 62.300 -0.026 0.000 1.049 177 V CB -0.590 31.240 31.823 0.011 0.000 0.662 177 V HN 0.286 nan 8.190 nan 0.000 0.455 178 L N 0.088 121.315 121.223 0.006 0.000 1.943 178 L HA -0.247 4.094 4.340 0.002 0.000 0.215 178 L C 2.696 179.563 176.870 -0.005 0.000 1.074 178 L CA 2.332 57.179 54.840 0.012 0.000 0.759 178 L CB -0.442 41.629 42.059 0.021 0.000 0.888 178 L HN 0.394 nan 8.230 nan 0.000 0.433 179 E N -0.120 120.073 120.200 -0.012 0.000 2.049 179 E HA -0.284 4.068 4.350 0.002 0.000 0.198 179 E C 2.136 178.721 176.600 -0.026 0.000 1.007 179 E CA 1.829 58.218 56.400 -0.019 0.000 0.809 179 E CB -0.086 29.601 29.700 -0.023 0.000 0.749 179 E HN 0.504 nan 8.360 nan 0.000 0.450 180 K N 0.091 120.472 120.400 -0.031 0.000 2.063 180 K HA -0.134 4.187 4.320 0.002 0.000 0.208 180 K C 1.891 178.471 176.600 -0.034 0.000 1.048 180 K CA 1.618 57.883 56.287 -0.037 0.000 0.928 180 K CB 0.158 32.628 32.500 -0.050 0.000 0.713 180 K HN 0.089 nan 8.250 nan 0.000 0.442 181 V N -0.423 119.475 119.914 -0.027 0.000 3.485 181 V HA 0.063 4.185 4.120 0.002 0.000 0.280 181 V C 1.470 177.543 176.094 -0.035 0.000 1.495 181 V CA 0.094 62.377 62.300 -0.028 0.000 1.018 181 V CB 0.130 31.944 31.823 -0.014 0.000 0.818 181 V HN 0.118 nan 8.190 nan 0.000 0.436 182 L N -0.651 120.554 121.223 -0.031 0.000 2.347 182 L HA 0.325 4.666 4.340 0.002 0.000 0.196 182 L C 0.890 177.748 176.870 -0.020 0.000 1.072 182 L CA 0.289 55.108 54.840 -0.036 0.000 0.817 182 L CB -0.010 42.027 42.059 -0.037 0.000 1.029 182 L HN 0.142 nan 8.230 nan 0.000 0.478 183 L N 2.209 123.424 121.223 -0.013 0.000 2.578 183 L HA -0.068 4.273 4.340 0.002 0.000 0.279 183 L C 0.855 177.716 176.870 -0.016 0.000 1.227 183 L CA 0.308 55.142 54.840 -0.011 0.000 0.900 183 L CB 0.053 42.103 42.059 -0.016 0.000 1.144 183 L HN 0.291 nan 8.230 nan 0.000 0.496 184 R N 3.671 124.166 120.500 -0.008 0.000 2.539 184 R HA 0.169 4.511 4.340 0.002 0.000 0.275 184 R C 0.379 176.675 176.300 -0.007 0.000 1.077 184 R CA -0.436 55.660 56.100 -0.006 0.000 1.097 184 R CB 0.857 31.171 30.300 0.023 0.000 1.018 184 R HN 0.634 nan 8.270 nan 0.000 0.483 185 R N 2.125 122.619 120.500 -0.010 0.000 2.006 185 R HA 0.219 4.560 4.340 0.002 0.000 0.181 185 R C 0.029 176.334 176.300 0.008 0.000 1.617 185 R CA 0.261 56.356 56.100 -0.009 0.000 1.276 185 R CB -0.364 29.925 30.300 -0.018 0.000 1.107 185 R HN 0.604 nan 8.270 nan 0.000 0.474 186 E N 1.520 121.722 120.200 0.003 0.000 2.175 186 E HA 0.169 4.520 4.350 0.002 0.000 0.278 186 E C -0.999 175.628 176.600 0.045 0.000 0.969 186 E CA -0.801 55.615 56.400 0.027 0.000 0.796 186 E CB 1.336 31.039 29.700 0.004 0.000 1.104 186 E HN -0.051 nan 8.360 nan 0.000 0.395 187 F N 4.220 124.142 119.950 -0.046 0.000 2.602 187 F HA 0.035 4.563 4.527 0.002 0.000 0.385 187 F C -0.094 175.674 175.800 -0.054 0.000 1.063 187 F CA 0.244 58.214 58.000 -0.050 0.000 1.233 187 F CB 0.154 39.121 39.000 -0.055 0.000 1.067 187 F HN 0.299 nan 8.300 nan 0.000 0.564 188 I N 9.393 129.471 120.570 -0.820 0.000 2.312 188 I HA 0.250 4.421 4.170 0.002 0.000 0.290 188 I C -1.966 173.496 176.117 -1.091 0.000 1.008 188 I CA -2.057 58.825 61.300 -0.698 0.000 1.226 188 I CB 1.241 38.992 38.000 -0.414 0.000 1.371 188 I HN 0.459 nan 8.210 nan 0.000 0.468 189 P HA 0.042 nan 4.420 nan 0.000 0.274 189 P C -0.971 176.126 177.300 -0.337 0.000 1.260 189 P CA -0.246 62.578 63.100 -0.461 0.000 0.793 189 P CB 0.953 32.576 31.700 -0.127 0.000 1.048 190 D N 0.302 120.566 120.400 -0.226 0.000 2.249 190 D HA 0.161 4.803 4.640 0.002 0.000 0.246 190 D C -1.345 174.830 176.300 -0.209 0.000 1.114 190 D CA -2.477 51.374 54.000 -0.247 0.000 0.854 190 D CB 0.593 41.239 40.800 -0.257 0.000 1.132 190 D HN 0.129 nan 8.370 nan 0.000 0.461 191 P HA -0.121 nan 4.420 nan 0.000 0.230 191 P C 0.429 177.610 177.300 -0.198 0.000 1.158 191 P CA 0.918 63.907 63.100 -0.185 0.000 0.769 191 P CB 0.333 31.927 31.700 -0.177 0.000 0.807 192 Q N -1.157 118.492 119.800 -0.252 0.000 2.392 192 Q HA 0.228 4.569 4.340 0.002 0.000 0.203 192 Q C 1.200 177.064 176.000 -0.226 0.000 0.917 192 Q CA 0.601 56.225 55.803 -0.299 0.000 0.939 192 Q CB 0.082 28.562 28.738 -0.430 0.000 1.063 192 Q HN 0.256 nan 8.270 nan 0.000 0.516 193 G N 1.564 110.283 108.800 -0.135 0.000 2.136 193 G HA2 -0.242 3.719 3.960 0.002 0.000 0.242 193 G HA3 -0.242 3.719 3.960 0.002 0.000 0.242 193 G C -0.053 174.869 174.900 0.036 0.000 0.989 193 G CA 0.163 45.241 45.100 -0.037 0.000 0.682 193 G HN 0.249 nan 8.290 nan 0.000 0.522 194 S N 1.581 117.248 115.700 -0.055 0.000 2.507 194 S HA 0.328 4.799 4.470 0.002 0.000 0.299 194 S C 1.116 175.643 174.600 -0.121 0.000 1.214 194 S CA 0.255 58.318 58.200 -0.228 0.000 1.137 194 S CB 0.276 63.077 63.200 -0.665 0.000 1.009 194 S HN 0.858 nan 8.310 nan 0.000 0.512 195 N N 3.490 122.185 118.700 -0.009 0.000 2.332 195 N HA 0.184 4.925 4.740 0.002 0.000 0.282 195 N C 0.966 176.507 175.510 0.051 0.000 1.288 195 N CA -0.426 52.657 53.050 0.055 0.000 0.949 195 N CB 0.007 38.568 38.487 0.122 0.000 1.108 195 N HN 0.248 nan 8.380 nan 0.000 0.542 196 M N -1.109 118.493 119.600 0.004 0.000 2.288 196 M HA 0.104 4.585 4.480 0.002 0.000 0.266 196 M C 1.596 177.925 176.300 0.048 0.000 1.072 196 M CA 0.921 56.093 55.300 -0.213 0.000 1.132 196 M CB -1.030 31.168 32.600 -0.671 0.000 1.386 196 M HN 0.456 nan 8.290 nan 0.000 0.432 197 M N -0.582 119.199 119.600 0.302 0.000 2.106 197 M HA -0.210 4.271 4.480 0.002 0.000 0.259 197 M C 2.223 178.944 176.300 0.702 0.000 1.068 197 M CA 1.661 57.305 55.300 0.574 0.000 1.100 197 M CB -1.451 31.458 32.600 0.515 0.000 1.351 197 M HN 0.219 nan 8.290 nan 0.000 0.404 198 F N 0.826 120.939 119.950 0.271 0.000 2.039 198 F HA -0.061 4.467 4.527 0.002 0.000 0.294 198 F C 2.373 178.176 175.800 0.006 0.000 1.130 198 F CA 1.856 59.740 58.000 -0.192 0.000 1.189 198 F CB -0.768 38.029 39.000 -0.339 0.000 0.983 198 F HN 0.126 nan 8.300 nan 0.000 0.471 199 A N 0.239 123.304 122.820 0.407 0.000 1.927 199 A HA -0.254 4.067 4.320 0.002 0.000 0.220 199 A C 2.101 179.723 177.584 0.063 0.000 1.185 199 A CA 2.193 54.346 52.037 0.194 0.000 0.639 199 A CB -1.581 17.410 19.000 -0.015 0.000 0.820 199 A HN 0.493 nan 8.150 nan 0.000 0.451 200 F N -1.973 118.102 119.950 0.208 0.000 2.293 200 F HA 0.054 4.582 4.527 0.002 0.000 0.297 200 F C 1.918 177.865 175.800 0.245 0.000 1.089 200 F CA 0.179 58.311 58.000 0.221 0.000 1.377 200 F CB -0.975 38.178 39.000 0.256 0.000 1.051 200 F HN 0.334 nan 8.300 nan 0.000 0.511 201 F N 0.867 120.971 119.950 0.257 0.000 2.046 201 F HA -0.181 4.347 4.527 0.002 0.000 0.297 201 F C 2.443 178.154 175.800 -0.148 0.000 1.123 201 F CA 1.764 59.603 58.000 -0.269 0.000 1.199 201 F CB -0.765 38.026 39.000 -0.348 0.000 0.972 201 F HN -0.087 nan 8.300 nan 0.000 0.474 202 A N -0.362 122.491 122.820 0.054 0.000 1.948 202 A HA -0.292 4.029 4.320 0.002 0.000 0.220 202 A C 2.252 179.832 177.584 -0.005 0.000 1.177 202 A CA 1.953 54.029 52.037 0.065 0.000 0.636 202 A CB -1.028 18.039 19.000 0.113 0.000 0.815 202 A HN 0.649 nan 8.150 nan 0.000 0.449 203 Q N -1.442 118.340 119.800 -0.029 0.000 2.123 203 Q HA -0.225 4.117 4.340 0.002 0.000 0.199 203 Q C 1.955 177.690 176.000 -0.441 0.000 0.966 203 Q CA 1.807 57.461 55.803 -0.248 0.000 0.845 203 Q CB -0.187 28.470 28.738 -0.134 0.000 0.907 203 Q HN 0.937 nan 8.270 nan 0.000 0.439 204 H N -0.471 118.365 119.070 -0.391 0.000 2.333 204 H HA -0.112 4.446 4.556 0.002 0.000 0.302 204 H C 1.682 176.947 175.328 -0.106 0.000 1.075 204 H CA 1.801 57.554 56.048 -0.492 0.000 1.348 204 H CB -0.426 29.065 29.762 -0.451 0.000 1.393 204 H HN 0.285 nan 8.280 nan 0.000 0.509 205 F N 1.505 121.200 119.950 -0.425 0.000 2.000 205 F HA -0.208 4.320 4.527 0.002 0.000 0.295 205 F C 2.771 178.197 175.800 -0.624 0.000 1.159 205 F CA 2.588 60.288 58.000 -0.500 0.000 1.171 205 F CB -1.189 37.389 39.000 -0.702 0.000 0.971 205 F HN 0.306 nan 8.300 nan 0.000 0.479 206 T N -2.145 112.058 114.554 -0.586 0.000 2.969 206 T HA -0.281 4.071 4.350 0.002 0.000 0.271 206 T C 1.241 175.212 174.700 -1.215 0.000 1.127 206 T CA 1.846 63.082 62.100 -1.440 0.000 1.102 206 T CB -1.097 67.299 68.868 -0.787 0.000 0.855 206 T HN 0.490 nan 8.240 nan 0.000 0.536 207 H N 1.292 119.960 119.070 -0.670 0.000 2.547 207 H HA 0.205 4.762 4.556 0.002 0.000 0.274 207 H C 2.211 177.290 175.328 -0.416 0.000 1.024 207 H CA 0.590 56.438 56.048 -0.333 0.000 1.155 207 H CB -0.159 29.678 29.762 0.125 0.000 1.344 207 H HN 0.817 nan 8.280 nan 0.000 0.598 208 Q N -0.530 118.852 119.800 -0.697 0.000 2.304 208 Q HA -0.023 4.319 4.340 0.002 0.000 0.204 208 Q C 1.127 176.801 176.000 -0.545 0.000 0.936 208 Q CA 0.588 55.995 55.803 -0.659 0.000 0.878 208 Q CB -0.284 27.858 28.738 -0.994 0.000 0.983 208 Q HN 0.442 nan 8.270 nan 0.000 0.516 209 F N -0.387 119.159 119.950 -0.674 0.000 2.317 209 F HA 0.357 4.885 4.527 0.002 0.000 0.293 209 F C 0.306 175.831 175.800 -0.458 0.000 1.085 209 F CA -0.755 56.875 58.000 -0.617 0.000 1.390 209 F CB -0.309 38.270 39.000 -0.701 0.000 1.077 209 F HN -0.204 nan 8.300 nan 0.000 0.517 210 F N 2.785 122.504 119.950 -0.385 0.000 2.404 210 F HA 0.427 4.956 4.527 0.003 0.000 0.359 210 F C 0.360 175.984 175.800 -0.293 0.000 1.134 210 F CA -1.243 56.602 58.000 -0.258 0.000 1.160 210 F CB 0.431 39.113 39.000 -0.530 0.000 1.186 210 F HN 0.015 nan 8.300 nan 0.000 0.526 211 K N 0.857 121.293 120.400 0.061 0.000 3.054 211 K HA 0.112 4.433 4.320 0.002 0.000 0.203 211 K C -0.138 176.436 176.600 -0.042 0.000 1.126 211 K CA -0.307 55.939 56.287 -0.068 0.000 1.023 211 K CB 0.683 33.092 32.500 -0.151 0.000 0.722 211 K HN 0.427 nan 8.250 nan 0.000 0.441 212 T N 2.405 117.002 114.554 0.071 0.000 2.499 212 T HA -0.193 4.158 4.350 0.002 0.000 0.208 212 T C 0.142 174.749 174.700 -0.154 0.000 1.023 212 T CA 0.967 63.053 62.100 -0.023 0.000 1.166 212 T CB -0.083 68.642 68.868 -0.239 0.000 0.998 212 T HN 0.206 nan 8.240 nan 0.000 0.447 213 D N 2.072 122.418 120.400 -0.090 0.000 2.517 213 D HA 0.087 4.728 4.640 0.002 0.000 0.220 213 D C 1.178 177.467 176.300 -0.017 0.000 1.158 213 D CA -0.173 53.797 54.000 -0.050 0.000 0.992 213 D CB 0.022 40.806 40.800 -0.027 0.000 1.058 213 D HN 0.666 nan 8.370 nan 0.000 0.516 214 H N 1.054 120.150 119.070 0.044 0.000 2.518 214 H HA -0.071 4.486 4.556 0.002 0.000 0.292 214 H C 1.691 177.028 175.328 0.015 0.000 1.068 214 H CA 1.122 57.196 56.048 0.043 0.000 1.275 214 H CB 0.720 30.504 29.762 0.036 0.000 1.375 214 H HN 0.267 nan 8.280 nan 0.000 0.563 215 K N 0.082 120.530 120.400 0.080 0.000 2.103 215 K HA -0.044 4.277 4.320 0.002 0.000 0.204 215 K C 2.067 178.640 176.600 -0.045 0.000 1.052 215 K CA 0.857 57.150 56.287 0.010 0.000 0.945 215 K CB 0.153 32.634 32.500 -0.032 0.000 0.722 215 K HN 0.300 nan 8.250 nan 0.000 0.443 216 R N -0.071 120.363 120.500 -0.110 0.000 2.066 216 R HA 0.075 4.417 4.340 0.002 0.000 0.224 216 R C 0.924 177.217 176.300 -0.012 0.000 1.122 216 R CA 0.838 56.755 56.100 -0.305 0.000 0.974 216 R CB 0.246 30.055 30.300 -0.820 0.000 0.871 216 R HN 0.260 nan 8.270 nan 0.000 0.435 217 G N -0.280 108.637 108.800 0.196 0.000 2.369 217 G HA2 0.003 3.964 3.960 0.002 0.000 0.295 217 G HA3 0.003 3.964 3.960 0.002 0.000 0.295 217 G C -3.120 171.941 174.900 0.268 0.000 1.298 217 G CA -1.271 44.002 45.100 0.288 0.000 0.940 217 G HN -0.150 nan 8.290 nan 0.000 0.536 218 P HA 0.492 nan 4.420 nan 0.000 0.281 218 P C 0.879 178.224 177.300 0.076 0.000 1.252 218 P CA 1.428 64.594 63.100 0.111 0.000 0.778 218 P CB 1.272 33.030 31.700 0.096 0.000 0.895 219 G N 1.668 110.515 108.800 0.078 0.000 2.428 219 G HA2 -0.181 3.780 3.960 0.002 0.000 0.199 219 G HA3 -0.181 3.780 3.960 0.002 0.000 0.199 219 G C -0.255 174.507 174.900 -0.231 0.000 1.005 219 G CA -0.547 44.523 45.100 -0.051 0.000 0.671 219 G HN 0.376 nan 8.290 nan 0.000 0.485 220 F N 1.560 121.508 119.950 -0.003 0.000 2.377 220 F HA 0.752 5.280 4.527 0.002 0.000 0.328 220 F C 0.789 176.376 175.800 -0.355 0.000 1.094 220 F CA 0.340 58.207 58.000 -0.221 0.000 1.093 220 F CB 2.082 40.941 39.000 -0.235 0.000 1.214 220 F HN 0.072 nan 8.300 nan 0.000 0.518 221 T N 1.001 115.322 114.554 -0.389 0.000 2.896 221 T HA 0.462 4.813 4.350 0.002 0.000 0.297 221 T C 0.304 174.829 174.700 -0.291 0.000 1.108 221 T CA -0.714 61.038 62.100 -0.581 0.000 1.004 221 T CB 1.331 69.457 68.868 -1.237 0.000 1.159 221 T HN 0.704 nan 8.240 nan 0.000 0.499 222 R N 1.137 121.492 120.500 -0.240 0.000 2.437 222 R HA 0.278 4.620 4.340 0.002 0.000 0.257 222 R C 1.080 177.271 176.300 -0.182 0.000 0.927 222 R CA -0.157 55.844 56.100 -0.166 0.000 1.078 222 R CB 0.702 30.924 30.300 -0.130 0.000 1.161 222 R HN 0.581 nan 8.270 nan 0.000 0.529 223 G N 1.304 109.947 108.800 -0.261 0.000 3.286 223 G HA2 0.221 4.183 3.960 0.002 0.000 0.303 223 G HA3 0.221 4.183 3.960 0.002 0.000 0.303 223 G C 0.679 175.427 174.900 -0.254 0.000 0.974 223 G CA -0.422 44.526 45.100 -0.253 0.000 1.635 223 G HN 0.116 nan 8.290 nan 0.000 0.535 224 L N 1.510 122.684 121.223 -0.082 0.000 2.465 224 L HA 0.040 4.381 4.340 0.002 0.000 0.224 224 L C 2.647 179.641 176.870 0.206 0.000 1.145 224 L CA 0.797 55.709 54.840 0.120 0.000 0.834 224 L CB 0.146 42.226 42.059 0.035 0.000 0.944 224 L HN 0.516 nan 8.230 nan 0.000 0.451 225 G N -2.162 106.665 108.800 0.046 0.000 2.744 225 G HA2 -0.140 3.821 3.960 0.002 0.000 0.211 225 G HA3 -0.140 3.821 3.960 0.002 0.000 0.211 225 G C 0.572 175.503 174.900 0.052 0.000 1.143 225 G CA -0.250 44.858 45.100 0.014 0.000 0.788 225 G HN 0.580 nan 8.290 nan 0.000 0.534 226 H N -0.168 118.824 119.070 -0.130 0.000 2.355 226 H HA -0.180 4.377 4.556 0.002 0.000 0.324 226 H C 1.180 176.394 175.328 -0.190 0.000 1.015 226 H CA 0.766 56.733 56.048 -0.135 0.000 1.101 226 H CB -1.228 28.458 29.762 -0.126 0.000 1.555 226 H HN 0.700 nan 8.280 nan 0.000 0.386 227 G N -1.534 107.171 108.800 -0.158 0.000 2.323 227 G HA2 0.170 4.131 3.960 0.002 0.000 0.291 227 G HA3 0.170 4.131 3.960 0.002 0.000 0.291 227 G C -0.765 173.985 174.900 -0.249 0.000 1.278 227 G CA -0.396 44.528 45.100 -0.293 0.000 0.860 227 G HN 0.146 nan 8.290 nan 0.000 0.504 228 V N 2.288 122.047 119.914 -0.258 0.000 2.324 228 V HA 0.243 4.364 4.120 0.002 0.000 0.244 228 V C 0.491 176.494 176.094 -0.151 0.000 1.144 228 V CA 1.206 63.374 62.300 -0.219 0.000 1.158 228 V CB 0.080 31.831 31.823 -0.120 0.000 1.254 228 V HN 0.772 nan 8.190 nan 0.000 0.492 229 D N 3.437 123.725 120.400 -0.187 0.000 2.469 229 D HA 0.066 4.707 4.640 0.002 0.000 0.215 229 D C 0.822 177.070 176.300 -0.088 0.000 1.154 229 D CA -0.450 53.487 54.000 -0.105 0.000 0.832 229 D CB -0.018 40.729 40.800 -0.088 0.000 1.008 229 D HN 0.353 nan 8.370 nan 0.000 0.506 230 L N 0.963 122.049 121.223 -0.228 0.000 3.781 230 L HA -0.352 3.989 4.340 0.002 0.000 0.426 230 L C 0.948 177.807 176.870 -0.018 0.000 1.197 230 L CA 0.791 55.524 54.840 -0.178 0.000 0.907 230 L CB -2.388 39.708 42.059 0.062 0.000 1.812 230 L HN 0.309 nan 8.230 nan 0.000 0.956 231 N N 0.083 118.680 118.700 -0.171 0.000 2.331 231 N HA -0.190 4.551 4.740 0.002 0.000 0.180 231 N C 1.727 177.177 175.510 -0.100 0.000 1.019 231 N CA 1.578 54.576 53.050 -0.086 0.000 0.881 231 N CB -0.239 38.159 38.487 -0.148 0.000 0.972 231 N HN 0.702 nan 8.380 nan 0.000 0.435 232 H N -0.344 118.528 119.070 -0.330 0.000 2.489 232 H HA 0.033 4.590 4.556 0.002 0.000 0.293 232 H C 1.555 176.667 175.328 -0.360 0.000 1.066 232 H CA 1.189 56.948 56.048 -0.481 0.000 1.305 232 H CB -0.637 28.770 29.762 -0.592 0.000 1.386 232 H HN 0.438 nan 8.280 nan 0.000 0.551 233 I N -1.137 119.449 120.570 0.027 0.000 2.810 233 I HA -0.070 4.101 4.170 0.002 0.000 0.262 233 I C 1.364 177.284 176.117 -0.327 0.000 1.131 233 I CA 0.429 61.553 61.300 -0.293 0.000 1.453 233 I CB -0.019 37.604 38.000 -0.628 0.000 1.161 233 I HN 0.040 nan 8.210 nan 0.000 0.444 234 Y N 1.111 121.407 120.300 -0.008 0.000 2.509 234 Y HA 0.447 4.998 4.550 0.002 0.000 0.270 234 Y C 1.100 176.996 175.900 -0.007 0.000 1.103 234 Y CA 0.203 58.311 58.100 0.012 0.000 1.278 234 Y CB 0.224 38.724 38.460 0.067 0.000 1.087 234 Y HN 0.133 nan 8.280 nan 0.000 0.542 235 G N 0.291 109.137 108.800 0.077 0.000 2.627 235 G HA2 -0.091 3.870 3.960 0.002 0.000 0.680 235 G HA3 -0.091 3.870 3.960 0.002 0.000 0.680 235 G C -0.353 174.533 174.900 -0.022 0.000 1.341 235 G CA -0.728 44.374 45.100 0.003 0.000 0.835 235 G HN 0.058 nan 8.290 nan 0.000 0.643 236 E N -0.495 119.668 120.200 -0.062 0.000 2.152 236 E HA 0.149 4.500 4.350 0.002 0.000 0.192 236 E C 1.856 178.422 176.600 -0.057 0.000 0.983 236 E CA 1.746 58.103 56.400 -0.071 0.000 0.818 236 E CB 0.134 29.780 29.700 -0.090 0.000 0.758 236 E HN 0.963 nan 8.360 nan 0.000 0.467 237 T N -2.839 111.681 114.554 -0.057 0.000 2.930 237 T HA 0.340 4.691 4.350 0.002 0.000 0.290 237 T C 0.866 175.508 174.700 -0.097 0.000 1.052 237 T CA -0.852 61.210 62.100 -0.064 0.000 1.017 237 T CB 1.198 70.033 68.868 -0.055 0.000 1.137 237 T HN -0.049 nan 8.240 nan 0.000 0.511 238 L N 0.390 121.534 121.223 -0.131 0.000 2.141 238 L HA -0.051 4.290 4.340 0.002 0.000 0.209 238 L C 2.306 178.997 176.870 -0.299 0.000 1.094 238 L CA 1.916 56.589 54.840 -0.279 0.000 0.763 238 L CB -0.473 41.443 42.059 -0.238 0.000 0.908 238 L HN 0.891 nan 8.230 nan 0.000 0.437 239 D N 0.314 120.647 120.400 -0.113 0.000 2.087 239 D HA -0.287 4.354 4.640 0.002 0.000 0.192 239 D C 2.206 178.501 176.300 -0.008 0.000 0.993 239 D CA 1.709 55.695 54.000 -0.023 0.000 0.828 239 D CB -0.005 40.791 40.800 -0.007 0.000 0.968 239 D HN 0.167 nan 8.370 nan 0.000 0.448 240 R N -0.025 120.456 120.500 -0.030 0.000 2.070 240 R HA -0.147 4.194 4.340 0.002 0.000 0.233 240 R C 2.481 178.775 176.300 -0.010 0.000 1.137 240 R CA 1.683 57.776 56.100 -0.012 0.000 0.945 240 R CB -0.389 29.896 30.300 -0.026 0.000 0.845 240 R HN 0.196 nan 8.270 nan 0.000 0.430 241 Q N -0.320 119.444 119.800 -0.060 0.000 2.173 241 Q HA -0.245 4.096 4.340 0.002 0.000 0.208 241 Q C 1.696 177.654 176.000 -0.070 0.000 0.989 241 Q CA 1.864 57.629 55.803 -0.063 0.000 0.872 241 Q CB -0.156 28.500 28.738 -0.138 0.000 0.909 241 Q HN 0.580 nan 8.270 nan 0.000 0.420 242 H N 0.066 119.130 119.070 -0.010 0.000 2.395 242 H HA 0.037 4.594 4.556 0.002 0.000 0.299 242 H C 1.994 177.378 175.328 0.094 0.000 1.070 242 H CA 1.002 57.095 56.048 0.076 0.000 1.356 242 H CB 0.107 30.021 29.762 0.254 0.000 1.401 242 H HN 0.229 nan 8.280 nan 0.000 0.524 243 K N 0.408 120.916 120.400 0.180 0.000 2.152 243 K HA -0.056 4.265 4.320 0.002 0.000 0.206 243 K C 1.804 178.448 176.600 0.073 0.000 1.048 243 K CA 0.773 57.131 56.287 0.118 0.000 0.933 243 K CB 0.045 32.589 32.500 0.074 0.000 0.721 243 K HN 0.214 nan 8.250 nan 0.000 0.447 244 L N 0.115 121.365 121.223 0.045 0.000 2.558 244 L HA 0.050 4.391 4.340 0.002 0.000 0.225 244 L C 1.048 177.911 176.870 -0.012 0.000 1.128 244 L CA 0.010 54.867 54.840 0.027 0.000 0.868 244 L CB -0.038 42.047 42.059 0.043 0.000 1.006 244 L HN 0.056 nan 8.230 nan 0.000 0.454 245 R N 0.292 120.723 120.500 -0.114 0.000 2.457 245 R HA 0.140 4.481 4.340 0.002 0.000 0.284 245 R C 0.748 176.877 176.300 -0.284 0.000 1.024 245 R CA -0.404 55.496 56.100 -0.333 0.000 1.025 245 R CB 1.601 31.363 30.300 -0.897 0.000 1.063 245 R HN -0.080 nan 8.270 nan 0.000 0.493 246 L N 3.472 124.588 121.223 -0.179 0.000 2.095 246 L HA 0.076 4.417 4.340 0.002 0.000 0.204 246 L C 0.256 177.164 176.870 0.063 0.000 1.080 246 L CA 1.514 56.333 54.840 -0.035 0.000 0.759 246 L CB -0.312 41.760 42.059 0.022 0.000 0.914 246 L HN 0.830 nan 8.230 nan 0.000 0.439 247 F N -0.937 119.041 119.950 0.046 0.000 2.965 247 F HA -0.203 4.326 4.527 0.002 0.000 0.287 247 F C 0.541 176.361 175.800 0.034 0.000 0.790 247 F CA 0.768 58.773 58.000 0.008 0.000 1.279 247 F CB -1.592 37.376 39.000 -0.054 0.000 1.409 247 F HN 0.176 nan 8.300 nan 0.000 0.446 248 K N 0.480 120.983 120.400 0.173 0.000 2.535 248 K HA 0.410 4.731 4.320 0.002 0.000 0.251 248 K C 0.348 177.040 176.600 0.154 0.000 0.942 248 K CA -0.056 56.319 56.287 0.146 0.000 0.798 248 K CB 1.571 34.137 32.500 0.109 0.000 1.267 248 K HN -0.037 nan 8.250 nan 0.000 0.434 249 D N 2.333 122.826 120.400 0.155 0.000 3.028 249 D HA -0.226 4.415 4.640 0.002 0.000 0.211 249 D C 0.697 177.119 176.300 0.204 0.000 1.136 249 D CA 2.311 56.411 54.000 0.166 0.000 0.987 249 D CB -0.970 39.916 40.800 0.144 0.000 1.128 249 D HN 1.048 nan 8.370 nan 0.000 0.406 250 G N -0.707 108.234 108.800 0.235 0.000 2.159 250 G HA2 -0.375 3.586 3.960 0.002 0.000 0.256 250 G HA3 -0.375 3.586 3.960 0.002 0.000 0.256 250 G C 0.304 175.459 174.900 0.424 0.000 0.977 250 G CA 0.637 45.931 45.100 0.325 0.000 0.652 250 G HN 0.490 nan 8.290 nan 0.000 0.531 251 K N -0.427 120.167 120.400 0.323 0.000 2.219 251 K HA 0.526 4.847 4.320 0.002 0.000 0.258 251 K C 0.134 176.955 176.600 0.368 0.000 1.008 251 K CA -0.713 55.802 56.287 0.380 0.000 0.928 251 K CB 0.866 33.541 32.500 0.291 0.000 0.983 251 K HN 0.046 nan 8.250 nan 0.000 0.484 252 L N 2.183 123.654 121.223 0.413 0.000 2.357 252 L HA 0.206 4.547 4.340 0.002 0.000 0.273 252 L C 0.065 177.052 176.870 0.194 0.000 1.080 252 L CA -0.217 54.764 54.840 0.235 0.000 0.803 252 L CB 1.024 43.180 42.059 0.161 0.000 1.174 252 L HN 0.430 nan 8.230 nan 0.000 0.443 253 K N 2.812 123.259 120.400 0.078 0.000 2.319 253 K HA 0.360 4.681 4.320 0.002 0.000 0.265 253 K C -1.234 175.406 176.600 0.068 0.000 1.000 253 K CA 0.312 56.592 56.287 -0.012 0.000 0.943 253 K CB 0.401 32.888 32.500 -0.021 0.000 0.950 253 K HN 0.509 nan 8.250 nan 0.000 0.485 254 Y N -0.998 119.302 120.300 -0.001 0.000 2.713 254 Y HA 0.296 4.847 4.550 0.002 0.000 0.335 254 Y C -1.782 174.094 175.900 -0.041 0.000 1.222 254 Y CA -1.269 56.810 58.100 -0.034 0.000 1.061 254 Y CB 0.614 39.056 38.460 -0.029 0.000 1.314 254 Y HN 0.665 nan 8.280 nan 0.000 0.453 255 Q N 0.821 120.785 119.800 0.273 0.000 2.433 255 Q HA 0.866 5.207 4.340 0.002 0.000 0.279 255 Q C -2.073 174.043 176.000 0.194 0.000 1.105 255 Q CA -1.349 54.558 55.803 0.173 0.000 0.815 255 Q CB 3.043 31.803 28.738 0.038 0.000 1.403 255 Q HN 0.629 nan 8.270 nan 0.000 0.435 256 V N 2.845 122.848 119.914 0.148 0.000 2.349 256 V HA 0.397 4.518 4.120 0.002 0.000 0.284 256 V C -0.689 175.466 176.094 0.101 0.000 1.014 256 V CA -0.478 61.876 62.300 0.090 0.000 0.826 256 V CB 1.092 32.964 31.823 0.083 0.000 1.009 256 V HN 0.683 nan 8.190 nan 0.000 0.431 257 I N 4.156 124.823 120.570 0.161 0.000 2.328 257 I HA 0.543 4.714 4.170 0.002 0.000 0.287 257 I C 1.174 177.388 176.117 0.161 0.000 1.012 257 I CA -0.269 61.145 61.300 0.189 0.000 1.195 257 I CB 1.337 39.504 38.000 0.279 0.000 1.350 257 I HN 0.816 nan 8.210 nan 0.000 0.464 258 G N 4.464 113.320 108.800 0.094 0.000 2.295 258 G HA2 -0.131 3.830 3.960 0.002 0.000 0.287 258 G HA3 -0.131 3.830 3.960 0.002 0.000 0.287 258 G C 0.969 175.892 174.900 0.038 0.000 1.055 258 G CA 0.416 45.556 45.100 0.066 0.000 0.922 258 G HN 1.434 nan 8.290 nan 0.000 0.503 259 G N -1.747 107.065 108.800 0.020 0.000 2.189 259 G HA2 -0.247 3.714 3.960 0.002 0.000 0.267 259 G HA3 -0.247 3.714 3.960 0.002 0.000 0.267 259 G C 0.146 175.006 174.900 -0.066 0.000 0.975 259 G CA 1.099 46.190 45.100 -0.014 0.000 0.644 259 G HN 0.980 nan 8.290 nan 0.000 0.537 260 E N -0.453 119.689 120.200 -0.097 0.000 2.207 260 E HA 0.562 4.913 4.350 0.002 0.000 0.270 260 E C -0.056 176.306 176.600 -0.396 0.000 0.927 260 E CA -0.786 55.455 56.400 -0.265 0.000 0.799 260 E CB 2.253 31.759 29.700 -0.323 0.000 1.172 260 E HN 0.109 nan 8.360 nan 0.000 0.404 261 V N 3.680 123.291 119.914 -0.506 0.000 2.385 261 V HA 0.219 4.340 4.120 0.002 0.000 0.269 261 V C -0.799 174.923 176.094 -0.619 0.000 1.043 261 V CA -0.188 61.825 62.300 -0.478 0.000 0.906 261 V CB -0.417 31.117 31.823 -0.481 0.000 0.995 261 V HN 0.482 nan 8.190 nan 0.000 0.467 262 Y N 4.772 124.975 120.300 -0.162 0.000 2.602 262 Y HA 0.548 5.099 4.550 0.002 0.000 0.342 262 Y C -2.225 173.468 175.900 -0.346 0.000 1.029 262 Y CA -2.848 55.082 58.100 -0.283 0.000 1.080 262 Y CB 1.706 39.910 38.460 -0.425 0.000 1.284 262 Y HN 0.407 nan 8.280 nan 0.000 0.485 263 P HA -0.005 nan 4.420 nan 0.000 0.270 263 P C -2.469 174.666 177.300 -0.276 0.000 1.221 263 P CA -0.479 62.488 63.100 -0.222 0.000 0.788 263 P CB -0.013 31.581 31.700 -0.176 0.000 0.904 264 P HA 0.056 nan 4.420 nan 0.000 0.277 264 P C -0.496 176.777 177.300 -0.044 0.000 1.276 264 P CA 0.016 63.081 63.100 -0.058 0.000 0.788 264 P CB 0.195 31.889 31.700 -0.010 0.000 1.114 265 T N -3.468 111.085 114.554 -0.001 0.000 2.918 265 T HA 0.202 4.553 4.350 0.002 0.000 0.283 265 T C 1.252 175.993 174.700 0.069 0.000 1.001 265 T CA -0.698 61.432 62.100 0.050 0.000 1.041 265 T CB 0.171 69.063 68.868 0.040 0.000 1.028 265 T HN 0.079 nan 8.240 nan 0.000 0.511 266 V N 1.371 121.344 119.914 0.098 0.000 3.444 266 V HA 0.039 4.160 4.120 0.002 0.000 0.271 266 V C 2.295 178.425 176.094 0.060 0.000 1.188 266 V CA 1.319 63.680 62.300 0.101 0.000 1.168 266 V CB -1.063 30.853 31.823 0.155 0.000 0.810 266 V HN 0.932 nan 8.190 nan 0.000 0.500 267 K N -0.335 120.090 120.400 0.042 0.000 2.365 267 K HA -0.010 4.311 4.320 0.002 0.000 0.195 267 K C 1.688 178.302 176.600 0.023 0.000 1.079 267 K CA 0.566 56.870 56.287 0.028 0.000 0.979 267 K CB 0.299 32.810 32.500 0.018 0.000 0.929 267 K HN 0.436 nan 8.250 nan 0.000 0.523 268 D N 0.950 121.364 120.400 0.022 0.000 2.087 268 D HA -0.105 4.536 4.640 0.002 0.000 0.201 268 D C 0.699 177.012 176.300 0.022 0.000 0.980 268 D CA 1.484 55.493 54.000 0.015 0.000 0.849 268 D CB -0.346 40.457 40.800 0.005 0.000 1.001 268 D HN 0.175 nan 8.370 nan 0.000 0.452 269 T N -1.988 112.583 114.554 0.028 0.000 2.828 269 T HA 0.263 4.614 4.350 0.002 0.000 0.290 269 T C 0.476 175.200 174.700 0.040 0.000 1.019 269 T CA -0.381 61.741 62.100 0.037 0.000 1.031 269 T CB 1.138 70.031 68.868 0.041 0.000 1.001 269 T HN 0.095 nan 8.240 nan 0.000 0.531 270 Q N 0.184 120.009 119.800 0.041 0.000 2.175 270 Q HA 0.335 4.677 4.340 0.002 0.000 0.225 270 Q C 0.151 176.173 176.000 0.036 0.000 0.837 270 Q CA -0.360 55.465 55.803 0.037 0.000 1.032 270 Q CB 0.755 29.511 28.738 0.031 0.000 1.137 270 Q HN 0.652 nan 8.270 nan 0.000 0.483 271 V N 0.837 120.776 119.914 0.041 0.000 2.446 271 V HA 0.083 4.204 4.120 0.002 0.000 0.276 271 V C 0.087 176.202 176.094 0.036 0.000 1.030 271 V CA -0.316 62.004 62.300 0.033 0.000 1.033 271 V CB 0.672 32.512 31.823 0.030 0.000 0.993 271 V HN 0.260 nan 8.190 nan 0.000 0.477 272 E N 6.992 127.202 120.200 0.017 0.000 2.442 272 E HA 0.200 4.552 4.350 0.002 0.000 0.262 272 E C -0.298 176.299 176.600 -0.005 0.000 1.004 272 E CA 0.199 56.606 56.400 0.012 0.000 0.928 272 E CB 0.603 30.299 29.700 -0.007 0.000 0.937 272 E HN 0.626 nan 8.360 nan 0.000 0.446 273 M N 1.747 121.344 119.600 -0.006 0.000 2.618 273 M HA 0.419 4.900 4.480 0.002 0.000 0.281 273 M C -0.623 175.570 176.300 -0.178 0.000 1.267 273 M CA -0.738 54.500 55.300 -0.102 0.000 0.845 273 M CB 1.640 34.210 32.600 -0.049 0.000 1.732 273 M HN 0.390 nan 8.290 nan 0.000 0.461 274 I N 2.133 122.497 120.570 -0.343 0.000 2.307 274 I HA 0.294 4.466 4.170 0.002 0.000 0.287 274 I C -1.550 174.257 176.117 -0.516 0.000 1.054 274 I CA -0.276 60.843 61.300 -0.301 0.000 1.218 274 I CB 0.195 38.075 38.000 -0.200 0.000 1.398 274 I HN 0.428 nan 8.210 nan 0.000 0.475 275 Y N 5.898 126.111 120.300 -0.145 0.000 2.433 275 Y HA 0.432 4.983 4.550 0.002 0.000 0.337 275 Y C -2.366 173.353 175.900 -0.301 0.000 1.026 275 Y CA -2.728 55.238 58.100 -0.223 0.000 1.037 275 Y CB 1.698 40.069 38.460 -0.149 0.000 1.245 275 Y HN 0.399 nan 8.280 nan 0.000 0.443 276 P HA 0.152 nan 4.420 nan 0.000 0.275 276 P C -1.836 175.290 177.300 -0.290 0.000 1.228 276 P CA -1.213 61.659 63.100 -0.381 0.000 0.786 276 P CB 0.704 31.992 31.700 -0.688 0.000 0.927 277 P HA -0.237 nan 4.420 nan 0.000 0.218 277 P C 0.726 178.013 177.300 -0.023 0.000 1.150 277 P CA 1.658 64.729 63.100 -0.047 0.000 0.841 277 P CB -0.504 31.203 31.700 0.010 0.000 0.784 278 H N -1.294 117.777 119.070 0.001 0.000 2.842 278 H HA 0.350 4.908 4.556 0.002 0.000 0.312 278 H C -0.359 174.971 175.328 0.004 0.000 1.137 278 H CA -0.556 55.499 56.048 0.012 0.000 1.176 278 H CB -0.888 28.896 29.762 0.036 0.000 1.361 278 H HN 0.074 nan 8.280 nan 0.000 0.557 279 I N 2.314 122.817 120.570 -0.112 0.000 2.418 279 I HA 0.273 4.444 4.170 0.002 0.000 0.287 279 I C -2.190 173.846 176.117 -0.135 0.000 1.008 279 I CA -2.576 58.632 61.300 -0.153 0.000 1.104 279 I CB 1.986 39.831 38.000 -0.257 0.000 1.264 279 I HN 0.062 nan 8.210 nan 0.000 0.438 280 P HA 0.004 nan 4.420 nan 0.000 0.266 280 P C 0.841 178.070 177.300 -0.118 0.000 1.193 280 P CA 0.128 63.174 63.100 -0.090 0.000 0.770 280 P CB 0.702 32.357 31.700 -0.074 0.000 0.836 281 E N 3.271 123.431 120.200 -0.067 0.000 2.033 281 E HA -0.327 4.024 4.350 0.002 0.000 0.199 281 E C 1.403 177.981 176.600 -0.038 0.000 1.011 281 E CA 1.769 58.139 56.400 -0.050 0.000 0.815 281 E CB -0.278 29.411 29.700 -0.018 0.000 0.755 281 E HN 0.477 nan 8.360 nan 0.000 0.451 282 N N 1.180 119.873 118.700 -0.011 0.000 2.519 282 N HA -0.179 4.563 4.740 0.002 0.000 0.186 282 N C 1.922 177.490 175.510 0.097 0.000 1.062 282 N CA 0.948 54.027 53.050 0.048 0.000 0.910 282 N CB -0.280 38.230 38.487 0.040 0.000 0.958 282 N HN 0.304 nan 8.380 nan 0.000 0.445 283 L N 0.550 121.724 121.223 -0.082 0.000 2.249 283 L HA 0.143 4.484 4.340 0.002 0.000 0.207 283 L C 0.493 177.078 176.870 -0.476 0.000 1.090 283 L CA 0.852 55.510 54.840 -0.303 0.000 0.802 283 L CB -0.815 41.040 42.059 -0.341 0.000 0.947 283 L HN 0.039 nan 8.230 nan 0.000 0.453 284 Q N 1.699 121.229 119.800 -0.450 0.000 2.388 284 Q HA 0.078 4.419 4.340 0.002 0.000 0.246 284 Q C -0.991 175.099 176.000 0.150 0.000 1.246 284 Q CA -0.177 55.219 55.803 -0.680 0.000 0.895 284 Q CB -0.324 28.172 28.738 -0.405 0.000 1.510 284 Q HN 0.159 nan 8.270 nan 0.000 0.503 285 F N 0.541 120.500 119.950 0.015 0.000 2.429 285 F HA 0.156 4.684 4.527 0.002 0.000 0.348 285 F C 1.131 177.075 175.800 0.241 0.000 1.109 285 F CA -0.866 57.222 58.000 0.146 0.000 1.232 285 F CB 0.644 39.727 39.000 0.138 0.000 1.157 285 F HN 0.475 nan 8.300 nan 0.000 0.564 286 A N 2.779 125.756 122.820 0.262 0.000 1.844 286 A HA 0.222 4.543 4.320 0.002 0.000 0.212 286 A C 1.953 179.610 177.584 0.123 0.000 1.221 286 A CA 2.390 54.527 52.037 0.166 0.000 0.607 286 A CB -0.946 18.109 19.000 0.091 0.000 0.878 286 A HN 1.412 nan 8.150 nan 0.000 0.451 287 V N -3.719 116.255 119.914 0.099 0.000 0.506 287 V HA -0.356 3.766 4.120 0.002 0.000 0.092 287 V C 2.012 178.102 176.094 -0.007 0.000 2.295 287 V CA 2.719 65.061 62.300 0.070 0.000 3.596 287 V CB -1.675 30.238 31.823 0.151 0.000 0.884 287 V HN 2.414 nan 8.190 nan 0.000 0.925 288 G N -0.878 107.895 108.800 -0.044 0.000 3.753 288 G HA2 -0.056 3.906 3.960 0.002 0.000 0.196 288 G HA3 -0.056 3.906 3.960 0.002 0.000 0.196 288 G C -0.056 174.730 174.900 -0.191 0.000 1.538 288 G CA 0.406 45.448 45.100 -0.097 0.000 1.040 288 G HN 1.224 nan 8.290 nan 0.000 0.427 289 Q N 1.792 121.375 119.800 -0.360 0.000 2.293 289 Q HA 0.351 4.693 4.340 0.002 0.000 0.263 289 Q C 1.223 176.999 176.000 -0.373 0.000 1.002 289 Q CA 0.255 55.719 55.803 -0.564 0.000 0.910 289 Q CB 1.390 29.287 28.738 -1.401 0.000 1.185 289 Q HN 0.681 nan 8.270 nan 0.000 0.401 290 E N 2.367 122.421 120.200 -0.244 0.000 2.455 290 E HA -0.121 4.231 4.350 0.002 0.000 0.202 290 E C 1.114 177.628 176.600 -0.144 0.000 1.045 290 E CA 0.515 56.819 56.400 -0.160 0.000 0.872 290 E CB 0.012 29.641 29.700 -0.119 0.000 0.792 290 E HN 0.282 nan 8.360 nan 0.000 0.542 291 V N -0.419 119.428 119.914 -0.112 0.000 3.635 291 V HA 0.032 4.153 4.120 0.002 0.000 0.266 291 V C 0.480 176.697 176.094 0.205 0.000 1.316 291 V CA -0.011 62.304 62.300 0.026 0.000 1.060 291 V CB -0.195 31.692 31.823 0.106 0.000 0.820 291 V HN 0.162 nan 8.190 nan 0.000 0.447 292 F N 1.404 121.321 119.950 -0.055 0.000 2.605 292 F HA 0.029 4.557 4.527 0.002 0.000 0.296 292 F C 2.116 177.881 175.800 -0.059 0.000 1.146 292 F CA 0.845 58.827 58.000 -0.030 0.000 1.478 292 F CB -1.435 37.575 39.000 0.016 0.000 1.107 292 F HN 0.278 nan 8.300 nan 0.000 0.600 293 G N -0.689 108.125 108.800 0.023 0.000 2.683 293 G HA2 -0.013 3.949 3.960 0.002 0.000 0.213 293 G HA3 -0.013 3.949 3.960 0.002 0.000 0.213 293 G C 1.538 176.442 174.900 0.007 0.000 1.142 293 G CA -0.091 44.969 45.100 -0.066 0.000 0.793 293 G HN 0.355 nan 8.290 nan 0.000 0.534 294 L N 0.589 121.822 121.223 0.016 0.000 2.610 294 L HA 0.224 4.565 4.340 0.002 0.000 0.232 294 L C -0.331 176.578 176.870 0.065 0.000 1.149 294 L CA 0.052 54.998 54.840 0.176 0.000 0.872 294 L CB 0.266 42.458 42.059 0.220 0.000 0.992 294 L HN -0.078 nan 8.230 nan 0.000 0.447 295 V N -1.396 118.459 119.914 -0.098 0.000 2.671 295 V HA 0.169 4.290 4.120 0.002 0.000 0.292 295 V C -1.894 173.910 176.094 -0.483 0.000 1.115 295 V CA -0.799 61.323 62.300 -0.297 0.000 0.918 295 V CB 2.024 33.717 31.823 -0.216 0.000 1.036 295 V HN -0.158 nan 8.190 nan 0.000 0.445 296 P HA -0.157 nan 4.420 nan 0.000 0.219 296 P C 1.585 178.516 177.300 -0.615 0.000 1.144 296 P CA 1.816 64.511 63.100 -0.675 0.000 0.806 296 P CB 0.333 31.501 31.700 -0.887 0.000 0.771 297 G N -0.287 107.982 108.800 -0.885 0.000 2.453 297 G HA2 -0.225 3.736 3.960 0.002 0.000 0.215 297 G HA3 -0.225 3.736 3.960 0.002 0.000 0.215 297 G C 1.301 175.813 174.900 -0.647 0.000 1.201 297 G CA 0.518 44.850 45.100 -1.280 0.000 0.784 297 G HN 0.101 nan 8.290 nan 0.000 0.545 298 L N 0.145 121.040 121.223 -0.548 0.000 1.956 298 L HA -0.069 4.272 4.340 0.002 0.000 0.216 298 L C 2.804 179.537 176.870 -0.228 0.000 1.073 298 L CA 2.044 56.648 54.840 -0.392 0.000 0.762 298 L CB -1.322 40.442 42.059 -0.493 0.000 0.889 298 L HN 0.286 nan 8.230 nan 0.000 0.433 299 M N -1.301 118.193 119.600 -0.177 0.000 2.426 299 M HA -0.228 4.253 4.480 0.002 0.000 0.261 299 M C 2.039 178.282 176.300 -0.096 0.000 1.068 299 M CA 1.372 56.646 55.300 -0.043 0.000 1.066 299 M CB -0.341 32.226 32.600 -0.056 0.000 1.399 299 M HN 0.287 nan 8.290 nan 0.000 0.449 300 M N -1.585 117.864 119.600 -0.252 0.000 2.098 300 M HA -0.197 4.284 4.480 0.002 0.000 0.262 300 M C 1.518 177.678 176.300 -0.234 0.000 1.072 300 M CA 1.780 56.882 55.300 -0.330 0.000 1.133 300 M CB -0.365 31.963 32.600 -0.454 0.000 1.344 300 M HN 0.255 nan 8.290 nan 0.000 0.414 301 Y N 0.672 120.833 120.300 -0.232 0.000 2.242 301 Y HA -0.042 4.509 4.550 0.002 0.000 0.291 301 Y C 2.693 178.459 175.900 -0.223 0.000 1.137 301 Y CA 1.404 59.323 58.100 -0.301 0.000 1.181 301 Y CB -1.091 37.047 38.460 -0.536 0.000 0.989 301 Y HN 0.395 nan 8.280 nan 0.000 0.527 302 A N -0.390 122.430 122.820 0.001 0.000 1.873 302 A HA -0.250 4.072 4.320 0.002 0.000 0.218 302 A C 2.293 179.960 177.584 0.139 0.000 1.193 302 A CA 2.612 54.752 52.037 0.171 0.000 0.629 302 A CB -1.324 17.815 19.000 0.232 0.000 0.826 302 A HN 0.408 nan 8.150 nan 0.000 0.447 303 T N 0.121 114.727 114.554 0.085 0.000 2.929 303 T HA -0.039 4.313 4.350 0.002 0.000 0.271 303 T C 1.695 176.383 174.700 -0.019 0.000 1.085 303 T CA 1.357 63.483 62.100 0.044 0.000 1.125 303 T CB -0.375 68.537 68.868 0.073 0.000 0.874 303 T HN 0.438 nan 8.240 nan 0.000 0.494 304 I N -0.960 119.587 120.570 -0.037 0.000 2.277 304 I HA -0.063 4.108 4.170 0.002 0.000 0.243 304 I C 2.192 178.268 176.117 -0.069 0.000 1.094 304 I CA 1.184 62.412 61.300 -0.120 0.000 1.393 304 I CB -0.232 37.647 38.000 -0.201 0.000 1.078 304 I HN 0.306 nan 8.210 nan 0.000 0.417 305 W N 0.772 122.091 121.300 0.032 0.000 2.381 305 W HA -0.140 4.521 4.660 0.002 0.000 0.301 305 W C 2.432 178.966 176.519 0.024 0.000 1.205 305 W CA 0.516 57.887 57.345 0.043 0.000 1.285 305 W CB -0.363 29.117 29.460 0.033 0.000 1.133 305 W HN 0.072 nan 8.180 nan 0.000 0.521 306 L N 0.718 122.069 121.223 0.215 0.000 2.189 306 L HA -0.243 4.098 4.340 0.002 0.000 0.214 306 L C 2.372 179.310 176.870 0.114 0.000 1.097 306 L CA 1.617 56.533 54.840 0.127 0.000 0.764 306 L CB -0.214 41.888 42.059 0.072 0.000 0.900 306 L HN -0.038 nan 8.230 nan 0.000 0.436 307 R N -0.651 119.879 120.500 0.051 0.000 2.075 307 R HA -0.146 4.195 4.340 0.002 0.000 0.226 307 R C 2.165 178.496 176.300 0.051 0.000 1.114 307 R CA 1.101 57.192 56.100 -0.014 0.000 0.972 307 R CB -0.149 30.093 30.300 -0.098 0.000 0.869 307 R HN 0.267 nan 8.270 nan 0.000 0.437 308 E N -0.065 120.196 120.200 0.101 0.000 2.058 308 E HA -0.242 4.110 4.350 0.002 0.000 0.194 308 E C 1.549 178.273 176.600 0.208 0.000 0.997 308 E CA 1.786 58.272 56.400 0.143 0.000 0.801 308 E CB -0.217 29.607 29.700 0.207 0.000 0.746 308 E HN 0.374 nan 8.360 nan 0.000 0.450 309 H N -0.010 119.178 119.070 0.197 0.000 2.287 309 H HA -0.198 4.359 4.556 0.002 0.000 0.292 309 H C 2.050 177.468 175.328 0.150 0.000 1.068 309 H CA 2.770 58.934 56.048 0.194 0.000 1.192 309 H CB -0.457 29.427 29.762 0.203 0.000 1.360 309 H HN 0.107 nan 8.280 nan 0.000 0.516 310 Q N 0.122 120.055 119.800 0.222 0.000 2.197 310 Q HA -0.229 4.112 4.340 0.002 0.000 0.211 310 Q C 2.521 178.549 176.000 0.046 0.000 0.993 310 Q CA 2.099 57.981 55.803 0.132 0.000 0.883 310 Q CB -0.334 28.477 28.738 0.121 0.000 0.916 310 Q HN 0.424 nan 8.270 nan 0.000 0.418 311 R N -0.572 119.950 120.500 0.036 0.000 2.070 311 R HA -0.132 4.210 4.340 0.002 0.000 0.232 311 R C 1.997 178.303 176.300 0.011 0.000 1.138 311 R CA 1.793 57.902 56.100 0.015 0.000 0.936 311 R CB -0.350 29.957 30.300 0.012 0.000 0.839 311 R HN 0.226 nan 8.270 nan 0.000 0.429 312 V N 0.529 120.451 119.914 0.013 0.000 2.469 312 V HA -0.336 3.785 4.120 0.002 0.000 0.251 312 V C 2.605 178.694 176.094 -0.009 0.000 1.064 312 V CA 1.681 63.987 62.300 0.010 0.000 1.066 312 V CB -0.685 31.155 31.823 0.028 0.000 0.667 312 V HN 0.534 nan 8.190 nan 0.000 0.461 313 C N 0.272 119.544 119.300 -0.046 0.000 2.413 313 C HA -0.184 4.277 4.460 0.002 0.000 0.276 313 C C 2.532 177.542 174.990 0.034 0.000 1.248 313 C CA 1.278 60.293 59.018 -0.005 0.000 1.742 313 C CB -1.063 26.682 27.740 0.009 0.000 2.017 313 C HN 0.641 nan 8.230 nan 0.000 0.481 314 D N 0.471 120.886 120.400 0.024 0.000 2.103 314 D HA -0.069 4.572 4.640 0.002 0.000 0.199 314 D C 1.801 178.097 176.300 -0.008 0.000 0.978 314 D CA 1.097 55.108 54.000 0.018 0.000 0.829 314 D CB -0.394 40.416 40.800 0.016 0.000 0.981 314 D HN 0.341 nan 8.370 nan 0.000 0.464 315 I N 0.895 121.457 120.570 -0.012 0.000 2.399 315 I HA -0.232 3.939 4.170 0.002 0.000 0.254 315 I C 2.116 178.192 176.117 -0.069 0.000 1.146 315 I CA 0.738 62.018 61.300 -0.033 0.000 1.412 315 I CB -0.109 37.882 38.000 -0.015 0.000 1.076 315 I HN -0.005 nan 8.210 nan 0.000 0.432 316 L N -0.194 121.000 121.223 -0.049 0.000 2.130 316 L HA -0.039 4.303 4.340 0.002 0.000 0.200 316 L C 2.383 179.171 176.870 -0.137 0.000 1.075 316 L CA 1.447 56.224 54.840 -0.106 0.000 0.768 316 L CB -1.216 40.851 42.059 0.014 0.000 0.933 316 L HN 0.169 nan 8.230 nan 0.000 0.451 317 K N -0.536 119.852 120.400 -0.021 0.000 2.059 317 K HA -0.224 4.098 4.320 0.002 0.000 0.212 317 K C 1.196 177.763 176.600 -0.055 0.000 1.050 317 K CA 1.510 57.801 56.287 0.007 0.000 0.927 317 K CB 0.058 32.592 32.500 0.056 0.000 0.714 317 K HN 0.149 nan 8.250 nan 0.000 0.447 318 Q N 0.124 119.880 119.800 -0.074 0.000 2.244 318 Q HA 0.064 4.405 4.340 0.002 0.000 0.239 318 Q C 0.213 176.119 176.000 -0.157 0.000 0.890 318 Q CA 0.385 56.136 55.803 -0.087 0.000 0.964 318 Q CB 1.274 29.982 28.738 -0.051 0.000 1.076 318 Q HN 0.337 nan 8.270 nan 0.000 0.447 319 E N -0.976 119.059 120.200 -0.275 0.000 2.536 319 E HA 0.096 4.447 4.350 0.002 0.000 0.220 319 E C -0.336 175.805 176.600 -0.765 0.000 0.876 319 E CA 0.291 56.405 56.400 -0.477 0.000 1.190 319 E CB 0.728 30.100 29.700 -0.546 0.000 1.191 319 E HN 0.375 nan 8.360 nan 0.000 0.557 320 H N 0.178 119.004 119.070 -0.407 0.000 2.695 320 H HA 0.134 4.691 4.556 0.002 0.000 0.222 320 H C -1.897 173.298 175.328 -0.221 0.000 1.412 320 H CA -1.020 54.698 56.048 -0.549 0.000 1.347 320 H CB 1.252 30.035 29.762 -1.631 0.000 1.858 320 H HN -0.027 nan 8.280 nan 0.000 0.519 321 P HA -0.222 nan 4.420 nan 0.000 0.220 321 P C 0.573 177.944 177.300 0.117 0.000 1.144 321 P CA 1.301 64.431 63.100 0.050 0.000 0.800 321 P CB 0.397 32.112 31.700 0.024 0.000 0.772 322 E N -2.781 117.514 120.200 0.158 0.000 2.465 322 E HA 0.022 4.374 4.350 0.002 0.000 0.191 322 E C 0.207 177.013 176.600 0.345 0.000 1.053 322 E CA -0.180 56.344 56.400 0.207 0.000 0.869 322 E CB -0.616 29.193 29.700 0.182 0.000 0.977 322 E HN 0.204 nan 8.360 nan 0.000 0.483 323 W N 1.396 122.739 121.300 0.070 0.000 2.303 323 W HA 0.647 5.308 4.660 0.002 0.000 0.334 323 W C 1.050 177.602 176.519 0.054 0.000 1.197 323 W CA -0.945 56.426 57.345 0.045 0.000 1.262 323 W CB 0.956 30.455 29.460 0.065 0.000 1.153 323 W HN 0.058 nan 8.180 nan 0.000 0.596 324 G N 0.716 109.621 108.800 0.176 0.000 2.557 324 G HA2 0.150 4.111 3.960 0.002 0.000 0.302 324 G HA3 0.150 4.111 3.960 0.002 0.000 0.302 324 G C 0.218 175.209 174.900 0.151 0.000 1.311 324 G CA -0.203 44.972 45.100 0.125 0.000 1.030 324 G HN 0.449 nan 8.290 nan 0.000 0.509 325 D N -0.718 119.767 120.400 0.143 0.000 2.137 325 D HA -0.177 4.464 4.640 0.002 0.000 0.193 325 D C 2.120 178.532 176.300 0.187 0.000 0.993 325 D CA 1.723 55.832 54.000 0.182 0.000 0.846 325 D CB 0.065 40.981 40.800 0.194 0.000 0.990 325 D HN 0.354 nan 8.370 nan 0.000 0.448 326 E N -0.117 120.166 120.200 0.138 0.000 2.136 326 E HA -0.321 4.030 4.350 0.002 0.000 0.208 326 E C 2.086 178.756 176.600 0.116 0.000 1.035 326 E CA 1.423 57.898 56.400 0.126 0.000 0.838 326 E CB -0.394 29.340 29.700 0.056 0.000 0.748 326 E HN 0.557 nan 8.360 nan 0.000 0.459 327 Q N 0.149 119.932 119.800 -0.028 0.000 2.079 327 Q HA -0.109 4.233 4.340 0.002 0.000 0.200 327 Q C 2.555 178.584 176.000 0.049 0.000 0.974 327 Q CA 0.795 56.476 55.803 -0.204 0.000 0.840 327 Q CB -0.039 28.246 28.738 -0.756 0.000 0.898 327 Q HN 0.249 nan 8.270 nan 0.000 0.430 328 L N -0.017 121.372 121.223 0.275 0.000 1.990 328 L HA -0.222 4.120 4.340 0.002 0.000 0.213 328 L C 2.290 179.337 176.870 0.295 0.000 1.072 328 L CA 1.570 56.659 54.840 0.415 0.000 0.755 328 L CB -0.650 41.625 42.059 0.361 0.000 0.889 328 L HN 0.320 nan 8.230 nan 0.000 0.432 329 F N 0.768 120.811 119.950 0.155 0.000 1.993 329 F HA -0.315 4.213 4.527 0.002 0.000 0.297 329 F C 2.837 178.709 175.800 0.121 0.000 1.177 329 F CA 1.788 59.890 58.000 0.170 0.000 1.182 329 F CB -0.477 38.597 39.000 0.123 0.000 0.958 329 F HN 0.044 nan 8.300 nan 0.000 0.496 330 Q N 0.012 120.050 119.800 0.397 0.000 2.268 330 Q HA -0.237 4.104 4.340 0.002 0.000 0.213 330 Q C 2.081 178.117 176.000 0.060 0.000 0.995 330 Q CA 2.505 58.418 55.803 0.184 0.000 0.901 330 Q CB -1.325 27.524 28.738 0.185 0.000 0.921 330 Q HN 0.552 nan 8.270 nan 0.000 0.421 331 T N 0.664 115.287 114.554 0.115 0.000 2.698 331 T HA -0.072 4.280 4.350 0.002 0.000 0.260 331 T C 2.196 177.006 174.700 0.183 0.000 1.044 331 T CA 1.295 63.518 62.100 0.205 0.000 1.149 331 T CB -0.266 68.850 68.868 0.413 0.000 0.864 331 T HN 0.236 nan 8.240 nan 0.000 0.419 332 S N 1.341 117.098 115.700 0.095 0.000 2.369 332 S HA -0.221 4.250 4.470 0.002 0.000 0.225 332 S C 2.024 176.650 174.600 0.044 0.000 1.043 332 S CA 1.793 59.992 58.200 -0.001 0.000 1.074 332 S CB -0.418 62.598 63.200 -0.307 0.000 0.962 332 S HN 0.553 nan 8.310 nan 0.000 0.433 333 K N 0.857 121.180 120.400 -0.127 0.000 2.160 333 K HA -0.093 4.228 4.320 0.002 0.000 0.206 333 K C 1.970 178.604 176.600 0.056 0.000 1.047 333 K CA 1.100 57.271 56.287 -0.194 0.000 0.930 333 K CB -0.237 31.796 32.500 -0.777 0.000 0.720 333 K HN 0.311 nan 8.250 nan 0.000 0.450 334 L N 0.480 121.786 121.223 0.138 0.000 2.044 334 L HA -0.124 4.217 4.340 0.002 0.000 0.205 334 L C 2.342 179.427 176.870 0.359 0.000 1.075 334 L CA 1.045 56.070 54.840 0.308 0.000 0.747 334 L CB -0.258 42.048 42.059 0.411 0.000 0.903 334 L HN 0.246 nan 8.230 nan 0.000 0.435 335 I N -0.594 120.158 120.570 0.303 0.000 2.226 335 I HA -0.316 3.855 4.170 0.002 0.000 0.245 335 I C 2.345 178.584 176.117 0.202 0.000 1.100 335 I CA 0.995 62.409 61.300 0.189 0.000 1.374 335 I CB -0.188 37.917 38.000 0.174 0.000 1.057 335 I HN 0.192 nan 8.210 nan 0.000 0.413 336 L N 0.447 121.813 121.223 0.239 0.000 2.083 336 L HA -0.182 4.159 4.340 0.002 0.000 0.209 336 L C 2.336 179.302 176.870 0.160 0.000 1.083 336 L CA 1.788 56.780 54.840 0.254 0.000 0.752 336 L CB -0.628 41.602 42.059 0.285 0.000 0.899 336 L HN 0.187 nan 8.230 nan 0.000 0.433 337 I N -1.071 119.599 120.570 0.166 0.000 2.567 337 I HA -0.214 3.957 4.170 0.002 0.000 0.257 337 I C 2.351 178.580 176.117 0.186 0.000 1.184 337 I CA 1.121 62.503 61.300 0.136 0.000 1.451 337 I CB -0.920 37.179 38.000 0.165 0.000 1.089 337 I HN 0.350 nan 8.210 nan 0.000 0.441 338 G N 0.562 109.504 108.800 0.236 0.000 2.404 338 G HA2 -0.152 3.809 3.960 0.002 0.000 0.213 338 G HA3 -0.152 3.809 3.960 0.002 0.000 0.213 338 G C 1.477 176.530 174.900 0.255 0.000 1.189 338 G CA 0.217 45.499 45.100 0.303 0.000 0.796 338 G HN 0.346 nan 8.290 nan 0.000 0.532 339 E N -0.012 120.341 120.200 0.254 0.000 2.033 339 E HA -0.158 4.194 4.350 0.002 0.000 0.199 339 E C 2.748 179.535 176.600 0.312 0.000 1.011 339 E CA 1.650 58.233 56.400 0.304 0.000 0.815 339 E CB -0.458 29.497 29.700 0.424 0.000 0.755 339 E HN 0.268 nan 8.360 nan 0.000 0.451 340 T N 1.493 116.232 114.554 0.309 0.000 2.620 340 T HA -0.221 4.130 4.350 0.002 0.000 0.267 340 T C 1.927 176.718 174.700 0.152 0.000 1.044 340 T CA 1.490 63.750 62.100 0.266 0.000 1.161 340 T CB -0.294 68.609 68.868 0.059 0.000 0.862 340 T HN 0.149 nan 8.240 nan 0.000 0.438 341 I N 0.483 121.056 120.570 0.005 0.000 2.315 341 I HA -0.142 4.030 4.170 0.002 0.000 0.248 341 I C 2.543 178.380 176.117 -0.467 0.000 1.117 341 I CA 1.207 62.344 61.300 -0.272 0.000 1.404 341 I CB -0.368 37.355 38.000 -0.460 0.000 1.071 341 I HN 0.187 nan 8.210 nan 0.000 0.419 342 K N 1.919 122.139 120.400 -0.300 0.000 2.057 342 K HA -0.134 4.187 4.320 0.002 0.000 0.207 342 K C 1.818 178.434 176.600 0.025 0.000 1.049 342 K CA 1.575 57.814 56.287 -0.081 0.000 0.931 342 K CB -0.316 32.311 32.500 0.211 0.000 0.714 342 K HN 0.202 nan 8.250 nan 0.000 0.440 343 I N -0.005 120.624 120.570 0.099 0.000 2.072 343 I HA -0.281 3.890 4.170 0.002 0.000 0.235 343 I C 2.034 178.215 176.117 0.108 0.000 1.058 343 I CA 1.256 62.636 61.300 0.133 0.000 1.320 343 I CB -0.463 37.684 38.000 0.244 0.000 1.047 343 I HN -0.074 nan 8.210 nan 0.000 0.397 344 V N 1.411 121.358 119.914 0.056 0.000 2.495 344 V HA -0.320 3.801 4.120 0.002 0.000 0.260 344 V C 2.145 178.272 176.094 0.056 0.000 1.097 344 V CA 1.669 63.913 62.300 -0.093 0.000 1.105 344 V CB -0.649 30.917 31.823 -0.428 0.000 0.678 344 V HN 0.355 nan 8.190 nan 0.000 0.469 345 I N -0.924 119.657 120.570 0.018 0.000 2.628 345 I HA -0.030 4.141 4.170 0.002 0.000 0.255 345 I C 2.330 178.514 176.117 0.113 0.000 1.119 345 I CA 1.117 62.457 61.300 0.067 0.000 1.448 345 I CB -0.749 37.256 38.000 0.008 0.000 1.133 345 I HN 0.376 nan 8.210 nan 0.000 0.438 346 E N 0.479 120.739 120.200 0.100 0.000 2.318 346 E HA -0.096 4.256 4.350 0.002 0.000 0.193 346 E C 0.985 177.648 176.600 0.106 0.000 0.998 346 E CA 0.565 57.022 56.400 0.094 0.000 0.859 346 E CB 0.470 30.220 29.700 0.084 0.000 0.812 346 E HN 0.470 nan 8.360 nan 0.000 0.492 347 D N -0.553 119.939 120.400 0.155 0.000 2.855 347 D HA -0.050 4.591 4.640 0.002 0.000 0.257 347 D C 1.444 177.968 176.300 0.373 0.000 1.542 347 D CA -0.071 54.052 54.000 0.204 0.000 1.164 347 D CB -0.854 40.021 40.800 0.125 0.000 1.004 347 D HN -0.051 nan 8.370 nan 0.000 0.293 348 Y N 2.692 123.162 120.300 0.283 0.000 1.740 348 Y HA -0.395 4.156 4.550 0.002 0.000 0.194 348 Y C 2.427 178.463 175.900 0.227 0.000 1.024 348 Y CA 2.144 60.333 58.100 0.147 0.000 0.930 348 Y CB -0.784 37.640 38.460 -0.061 0.000 0.802 348 Y HN -0.192 nan 8.280 nan 0.000 0.571 349 V N 0.354 120.543 119.914 0.457 0.000 2.370 349 V HA -0.405 3.717 4.120 0.002 0.000 0.252 349 V C 2.288 178.472 176.094 0.150 0.000 1.068 349 V CA 2.297 64.771 62.300 0.291 0.000 1.061 349 V CB -1.040 30.950 31.823 0.278 0.000 0.656 349 V HN 0.585 nan 8.190 nan 0.000 0.455 350 Q N -0.280 119.612 119.800 0.154 0.000 2.030 350 Q HA -0.255 4.086 4.340 0.002 0.000 0.204 350 Q C 2.307 178.341 176.000 0.057 0.000 0.986 350 Q CA 2.392 58.242 55.803 0.077 0.000 0.843 350 Q CB -0.543 28.246 28.738 0.085 0.000 0.904 350 Q HN 0.820 nan 8.270 nan 0.000 0.420 351 H N -0.195 118.894 119.070 0.032 0.000 2.256 351 H HA -0.148 4.409 4.556 0.002 0.000 0.299 351 H C 1.887 177.146 175.328 -0.114 0.000 1.071 351 H CA 1.845 57.881 56.048 -0.019 0.000 1.280 351 H CB -0.642 29.164 29.762 0.073 0.000 1.370 351 H HN 0.386 nan 8.280 nan 0.000 0.490 352 L N 1.706 123.114 121.223 0.308 0.000 2.357 352 L HA -0.176 4.165 4.340 0.002 0.000 0.220 352 L C 2.393 179.222 176.870 -0.069 0.000 1.123 352 L CA 2.064 56.974 54.840 0.118 0.000 0.782 352 L CB -0.642 41.548 42.059 0.218 0.000 0.910 352 L HN 0.504 nan 8.230 nan 0.000 0.442 353 S N -2.563 113.039 115.700 -0.163 0.000 2.497 353 S HA 0.288 4.760 4.470 0.002 0.000 0.221 353 S C 1.676 176.080 174.600 -0.327 0.000 1.037 353 S CA 0.239 58.217 58.200 -0.371 0.000 0.920 353 S CB -0.049 62.642 63.200 -0.848 0.000 0.800 353 S HN 0.639 nan 8.310 nan 0.000 0.505 354 G N 0.731 109.362 108.800 -0.282 0.000 2.180 354 G HA2 -0.285 3.677 3.960 0.002 0.000 0.263 354 G HA3 -0.285 3.677 3.960 0.002 0.000 0.263 354 G C -0.071 174.700 174.900 -0.215 0.000 0.989 354 G CA 0.538 45.476 45.100 -0.269 0.000 0.692 354 G HN 0.502 nan 8.290 nan 0.000 0.526 355 Y N -0.452 119.691 120.300 -0.262 0.000 2.550 355 Y HA 0.285 4.836 4.550 0.002 0.000 0.343 355 Y C 1.736 177.425 175.900 -0.353 0.000 1.245 355 Y CA 0.126 58.038 58.100 -0.314 0.000 1.462 355 Y CB 0.317 38.666 38.460 -0.186 0.000 1.340 355 Y HN 0.319 nan 8.280 nan 0.000 0.604 356 H N 0.794 119.711 119.070 -0.256 0.000 2.547 356 H HA 0.031 4.588 4.556 0.002 0.000 0.272 356 H C -0.015 175.146 175.328 -0.278 0.000 0.971 356 H CA -0.227 55.669 56.048 -0.254 0.000 1.245 356 H CB 0.279 29.912 29.762 -0.215 0.000 1.440 356 H HN 0.386 nan 8.280 nan 0.000 0.540 357 F N 2.404 121.999 119.950 -0.593 0.000 2.484 357 F HA 0.137 4.665 4.527 0.002 0.000 0.360 357 F C 0.250 176.003 175.800 -0.079 0.000 1.101 357 F CA -0.573 57.182 58.000 -0.409 0.000 1.251 357 F CB 0.513 39.083 39.000 -0.716 0.000 1.132 357 F HN -0.255 nan 8.300 nan 0.000 0.570 358 K N 8.142 127.989 120.400 -0.921 0.000 2.219 358 K HA 0.244 4.565 4.320 0.002 0.000 0.280 358 K C -0.309 175.795 176.600 -0.826 0.000 1.104 358 K CA -0.376 55.532 56.287 -0.633 0.000 0.925 358 K CB 0.028 32.327 32.500 -0.335 0.000 1.261 358 K HN 0.710 nan 8.250 nan 0.000 0.445 359 L N 2.867 123.831 121.223 -0.431 0.000 2.536 359 L HA -0.016 4.326 4.340 0.002 0.000 0.294 359 L C 0.505 177.328 176.870 -0.078 0.000 1.257 359 L CA 0.865 55.621 54.840 -0.141 0.000 0.850 359 L CB 0.042 42.136 42.059 0.057 0.000 1.105 359 L HN 0.532 nan 8.230 nan 0.000 0.517 360 K N 1.740 122.169 120.400 0.048 0.000 2.501 360 K HA 0.341 4.662 4.320 0.002 0.000 0.252 360 K C -1.536 175.167 176.600 0.171 0.000 0.934 360 K CA -0.720 55.618 56.287 0.085 0.000 0.797 360 K CB 1.863 34.406 32.500 0.072 0.000 1.270 360 K HN 0.277 nan 8.250 nan 0.000 0.431 361 F N 4.079 124.020 119.950 -0.014 0.000 2.350 361 F HA 0.359 4.887 4.527 0.002 0.000 0.365 361 F C -0.989 174.746 175.800 -0.108 0.000 1.122 361 F CA -0.942 57.025 58.000 -0.055 0.000 1.139 361 F CB 0.652 39.634 39.000 -0.030 0.000 1.220 361 F HN 0.484 nan 8.300 nan 0.000 0.499 362 D N 8.265 128.451 120.400 -0.357 0.000 2.328 362 D HA 0.353 4.995 4.640 0.002 0.000 0.243 362 D C -2.265 173.648 176.300 -0.646 0.000 1.324 362 D CA -1.876 51.817 54.000 -0.512 0.000 0.966 362 D CB 1.784 42.455 40.800 -0.214 0.000 1.324 362 D HN 0.169 nan 8.370 nan 0.000 0.549 363 P HA -0.162 nan 4.420 nan 0.000 0.217 363 P C 0.712 177.397 177.300 -1.025 0.000 1.151 363 P CA 1.063 63.607 63.100 -0.927 0.000 0.849 363 P CB 0.263 31.140 31.700 -1.372 0.000 0.787 364 E N -0.964 118.592 120.200 -1.074 0.000 2.501 364 E HA -0.117 4.234 4.350 0.002 0.000 0.203 364 E C 1.525 177.759 176.600 -0.610 0.000 1.072 364 E CA 0.548 56.232 56.400 -1.194 0.000 0.885 364 E CB -0.484 28.976 29.700 -0.399 0.000 0.813 364 E HN 0.382 nan 8.360 nan 0.000 0.556 365 L N -0.218 120.756 121.223 -0.416 0.000 2.416 365 L HA 0.007 4.348 4.340 0.002 0.000 0.216 365 L C 2.001 178.800 176.870 -0.117 0.000 1.098 365 L CA 0.308 55.042 54.840 -0.176 0.000 0.840 365 L CB 0.110 42.100 42.059 -0.115 0.000 0.981 365 L HN 0.125 nan 8.230 nan 0.000 0.462 366 L N -1.529 119.588 121.223 -0.177 0.000 2.567 366 L HA 0.038 4.379 4.340 0.002 0.000 0.225 366 L C 2.082 179.091 176.870 0.232 0.000 1.119 366 L CA -0.214 54.588 54.840 -0.063 0.000 0.871 366 L CB -0.071 41.811 42.059 -0.294 0.000 1.036 366 L HN 0.114 nan 8.230 nan 0.000 0.459 367 F N 1.691 121.699 119.950 0.096 0.000 2.025 367 F HA -0.265 4.263 4.527 0.002 0.000 0.297 367 F C 2.415 178.290 175.800 0.125 0.000 1.132 367 F CA 1.376 59.459 58.000 0.139 0.000 1.191 367 F CB -1.232 37.839 39.000 0.118 0.000 0.963 367 F HN 0.374 nan 8.300 nan 0.000 0.481 368 N N 0.531 119.410 118.700 0.298 0.000 2.567 368 N HA -0.113 4.628 4.740 0.002 0.000 0.195 368 N C 0.009 175.615 175.510 0.160 0.000 1.242 368 N CA 0.299 53.464 53.050 0.191 0.000 0.884 368 N CB -0.309 38.266 38.487 0.147 0.000 1.007 368 N HN 0.329 nan 8.380 nan 0.000 0.450 369 Q N 0.459 120.370 119.800 0.184 0.000 2.301 369 Q HA 0.319 4.660 4.340 0.002 0.000 0.267 369 Q C -0.613 175.503 176.000 0.194 0.000 1.035 369 Q CA -0.645 55.251 55.803 0.155 0.000 0.856 369 Q CB 1.850 30.656 28.738 0.113 0.000 1.337 369 Q HN 0.200 nan 8.270 nan 0.000 0.450 370 Q N 1.238 121.135 119.800 0.162 0.000 2.364 370 Q HA 0.440 4.781 4.340 0.002 0.000 0.267 370 Q C -0.958 175.188 176.000 0.243 0.000 0.999 370 Q CA 0.303 56.204 55.803 0.164 0.000 0.886 370 Q CB 0.670 29.474 28.738 0.110 0.000 1.243 370 Q HN 0.525 nan 8.270 nan 0.000 0.415 371 F N 0.368 120.313 119.950 -0.010 0.000 2.686 371 F HA 0.064 4.592 4.527 0.002 0.000 0.315 371 F C -1.845 173.842 175.800 -0.188 0.000 1.088 371 F CA -0.796 57.123 58.000 -0.134 0.000 1.034 371 F CB 1.279 40.136 39.000 -0.238 0.000 1.280 371 F HN 0.330 nan 8.300 nan 0.000 0.463 372 Q N 5.070 124.290 119.800 -0.966 0.000 2.331 372 Q HA 0.236 4.578 4.340 0.002 0.000 0.257 372 Q C -1.119 174.346 176.000 -0.892 0.000 0.957 372 Q CA -0.286 55.124 55.803 -0.655 0.000 0.923 372 Q CB 1.110 29.604 28.738 -0.406 0.000 1.212 372 Q HN 0.684 nan 8.270 nan 0.000 0.443 373 Y N 2.599 122.752 120.300 -0.245 0.000 2.971 373 Y HA 0.050 4.601 4.550 0.002 0.000 0.384 373 Y C 0.794 176.632 175.900 -0.104 0.000 1.166 373 Y CA -0.090 57.957 58.100 -0.088 0.000 1.973 373 Y CB 0.186 38.695 38.460 0.082 0.000 2.082 373 Y HN 0.396 nan 8.280 nan 0.000 0.420 374 Q N -0.102 119.621 119.800 -0.129 0.000 2.482 374 Q HA 0.535 4.877 4.340 0.002 0.000 0.286 374 Q C -1.911 174.004 176.000 -0.141 0.000 1.007 374 Q CA -1.244 54.502 55.803 -0.095 0.000 0.801 374 Q CB 2.478 31.166 28.738 -0.083 0.000 1.455 374 Q HN 0.307 nan 8.270 nan 0.000 0.398 375 N N -0.122 118.509 118.700 -0.115 0.000 2.367 375 N HA 0.537 5.279 4.740 0.002 0.000 0.278 375 N C -2.160 173.301 175.510 -0.082 0.000 1.117 375 N CA -0.474 52.512 53.050 -0.107 0.000 0.867 375 N CB 2.319 40.744 38.487 -0.103 0.000 1.649 375 N HN 0.600 nan 8.380 nan 0.000 0.479 376 R N 2.769 123.248 120.500 -0.035 0.000 2.502 376 R HA 0.480 4.821 4.340 0.002 0.000 0.300 376 R C -0.788 175.634 176.300 0.203 0.000 0.984 376 R CA -0.736 55.413 56.100 0.081 0.000 0.882 376 R CB 0.601 30.866 30.300 -0.058 0.000 1.180 376 R HN 0.638 nan 8.270 nan 0.000 0.444 377 I N 1.964 122.722 120.570 0.313 0.000 2.471 377 I HA 0.537 4.708 4.170 0.002 0.000 0.286 377 I C 0.002 176.340 176.117 0.368 0.000 1.079 377 I CA -0.446 61.018 61.300 0.273 0.000 1.398 377 I CB 1.390 39.547 38.000 0.262 0.000 1.403 377 I HN 0.638 nan 8.210 nan 0.000 0.530 378 A N 5.054 128.041 122.820 0.278 0.000 2.322 378 A HA 0.380 4.701 4.320 0.002 0.000 0.269 378 A C 1.236 178.841 177.584 0.035 0.000 1.094 378 A CA -0.291 51.866 52.037 0.200 0.000 0.807 378 A CB 0.876 20.026 19.000 0.249 0.000 1.047 378 A HN 0.921 nan 8.150 nan 0.000 0.487 379 S N 0.680 116.365 115.700 -0.024 0.000 2.351 379 S HA -0.160 4.311 4.470 0.002 0.000 0.220 379 S C 1.868 176.368 174.600 -0.166 0.000 1.035 379 S CA 1.671 59.755 58.200 -0.193 0.000 1.031 379 S CB -0.427 62.756 63.200 -0.028 0.000 0.928 379 S HN 0.849 nan 8.310 nan 0.000 0.433 380 E N 0.742 120.902 120.200 -0.065 0.000 2.253 380 E HA -0.234 4.117 4.350 0.002 0.000 0.202 380 E C 1.670 178.085 176.600 -0.308 0.000 1.014 380 E CA 1.149 57.485 56.400 -0.106 0.000 0.823 380 E CB -0.536 29.174 29.700 0.016 0.000 0.736 380 E HN 0.583 nan 8.360 nan 0.000 0.478 381 F N 2.499 122.022 119.950 -0.712 0.000 2.270 381 F HA 0.012 4.540 4.527 0.002 0.000 0.295 381 F C 2.043 177.552 175.800 -0.486 0.000 1.087 381 F CA 0.771 58.361 58.000 -0.683 0.000 1.365 381 F CB -0.361 38.235 39.000 -0.673 0.000 1.056 381 F HN -0.069 nan 8.300 nan 0.000 0.506 382 N N 0.065 118.350 118.700 -0.692 0.000 2.025 382 N HA -0.187 4.554 4.740 0.002 0.000 0.194 382 N C 1.710 176.731 175.510 -0.815 0.000 1.044 382 N CA 2.304 54.469 53.050 -1.475 0.000 0.851 382 N CB -0.541 37.314 38.487 -1.054 0.000 1.036 382 N HN 0.263 nan 8.380 nan 0.000 0.422 383 T N 2.606 116.896 114.554 -0.440 0.000 2.544 383 T HA -0.197 4.155 4.350 0.002 0.000 0.264 383 T C 2.028 176.658 174.700 -0.116 0.000 1.096 383 T CA 2.370 64.293 62.100 -0.295 0.000 1.181 383 T CB -0.667 68.007 68.868 -0.324 0.000 0.864 383 T HN 0.440 nan 8.240 nan 0.000 0.415 384 L N -0.896 120.258 121.223 -0.115 0.000 2.263 384 L HA -0.032 4.309 4.340 0.002 0.000 0.216 384 L C 1.921 178.795 176.870 0.007 0.000 1.111 384 L CA 1.628 56.471 54.840 0.006 0.000 0.773 384 L CB -1.339 40.706 42.059 -0.022 0.000 0.906 384 L HN 0.186 nan 8.230 nan 0.000 0.439 385 Y N -0.410 119.637 120.300 -0.422 0.000 2.477 385 Y HA 0.092 4.643 4.550 0.002 0.000 0.303 385 Y C 0.602 176.071 175.900 -0.718 0.000 1.202 385 Y CA -0.061 57.533 58.100 -0.842 0.000 1.282 385 Y CB -0.568 37.288 38.460 -1.007 0.000 1.071 385 Y HN 0.292 nan 8.280 nan 0.000 0.510 386 H N -0.832 118.112 119.070 -0.209 0.000 2.970 386 H HA 0.010 4.568 4.556 0.002 0.000 0.226 386 H C -0.507 174.889 175.328 0.115 0.000 1.909 386 H CA -0.334 55.620 56.048 -0.156 0.000 1.388 386 H CB -0.701 29.005 29.762 -0.095 0.000 1.773 386 H HN 0.230 nan 8.280 nan 0.000 0.559 387 W N 0.990 122.239 121.300 -0.085 0.000 2.564 387 W HA 0.095 4.756 4.660 0.002 0.000 0.447 387 W C 0.622 177.160 176.519 0.033 0.000 0.701 387 W CA -0.541 56.819 57.345 0.025 0.000 2.223 387 W CB -1.411 28.101 29.460 0.086 0.000 0.990 387 W HN 0.715 nan 8.180 nan 0.000 0.698 388 H N 0.826 120.142 119.070 0.409 0.000 2.387 388 H HA -0.147 4.410 4.556 0.002 0.000 0.299 388 H C -0.364 175.122 175.328 0.263 0.000 1.099 388 H CA 1.786 58.026 56.048 0.321 0.000 1.315 388 H CB -1.114 28.827 29.762 0.299 0.000 1.380 388 H HN 0.007 nan 8.280 nan 0.000 0.513 389 P HA -0.212 nan 4.420 nan 0.000 0.218 389 P C 1.231 178.631 177.300 0.168 0.000 1.152 389 P CA 1.271 64.478 63.100 0.178 0.000 0.857 389 P CB -0.062 31.683 31.700 0.074 0.000 0.787 390 L N -2.006 119.327 121.223 0.183 0.000 2.129 390 L HA -0.167 4.174 4.340 0.002 0.000 0.212 390 L C 1.228 178.207 176.870 0.181 0.000 1.087 390 L CA 0.593 55.524 54.840 0.151 0.000 0.757 390 L CB -0.856 41.335 42.059 0.220 0.000 0.896 390 L HN 0.018 nan 8.230 nan 0.000 0.434 391 L N 1.341 122.713 121.223 0.248 0.000 2.490 391 L HA 0.069 4.410 4.340 0.002 0.000 0.274 391 L C -1.670 175.328 176.870 0.214 0.000 1.201 391 L CA -1.309 53.685 54.840 0.257 0.000 0.869 391 L CB 0.058 42.393 42.059 0.460 0.000 1.123 391 L HN -0.084 nan 8.230 nan 0.000 0.484 392 P HA 0.090 nan 4.420 nan 0.000 0.289 392 P C -0.460 176.676 177.300 -0.273 0.000 1.299 392 P CA -0.408 62.499 63.100 -0.322 0.000 0.766 392 P CB 1.172 32.551 31.700 -0.535 0.000 1.226 393 D N -1.389 118.770 120.400 -0.401 0.000 2.271 393 D HA 0.032 4.673 4.640 0.002 0.000 0.206 393 D C 0.600 176.762 176.300 -0.229 0.000 0.967 393 D CA 1.379 55.267 54.000 -0.188 0.000 0.867 393 D CB 0.212 40.886 40.800 -0.209 0.000 0.960 393 D HN 0.509 nan 8.370 nan 0.000 0.509 394 T N -2.136 112.122 114.554 -0.494 0.000 2.864 394 T HA 0.548 4.900 4.350 0.002 0.000 0.299 394 T C -0.819 173.407 174.700 -0.791 0.000 1.166 394 T CA -0.839 60.950 62.100 -0.519 0.000 1.007 394 T CB 1.322 70.030 68.868 -0.267 0.000 1.219 394 T HN -0.241 nan 8.240 nan 0.000 0.506 395 F N 2.081 121.861 119.950 -0.282 0.000 2.311 395 F HA 0.448 4.976 4.527 0.002 0.000 0.371 395 F C 0.507 176.249 175.800 -0.097 0.000 1.083 395 F CA -1.185 56.596 58.000 -0.365 0.000 1.113 395 F CB 0.730 39.032 39.000 -1.164 0.000 1.349 395 F HN 0.698 nan 8.300 nan 0.000 0.470 396 N N 4.047 122.788 118.700 0.068 0.000 2.415 396 N HA 0.301 5.042 4.740 0.002 0.000 0.246 396 N C -0.635 174.876 175.510 0.001 0.000 1.078 396 N CA -0.055 53.007 53.050 0.020 0.000 0.942 396 N CB 0.404 38.868 38.487 -0.039 0.000 1.140 396 N HN 0.597 nan 8.380 nan 0.000 0.501 397 I N 2.731 123.234 120.570 -0.111 0.000 2.373 397 I HA 0.087 4.258 4.170 0.002 0.000 0.287 397 I C -0.052 175.893 176.117 -0.286 0.000 1.124 397 I CA -0.456 60.588 61.300 -0.426 0.000 1.273 397 I CB -0.470 36.946 38.000 -0.974 0.000 1.578 397 I HN 0.615 nan 8.210 nan 0.000 0.572 398 E N 3.376 123.491 120.200 -0.142 0.000 0.756 398 E HA -0.300 4.051 4.350 0.002 0.000 0.359 398 E C 0.139 176.713 176.600 -0.044 0.000 1.101 398 E CA 0.991 57.349 56.400 -0.071 0.000 1.353 398 E CB -0.230 29.442 29.700 -0.046 0.000 0.362 398 E HN 0.711 nan 8.360 nan 0.000 0.361 399 D N 1.401 121.781 120.400 -0.033 0.000 3.129 399 D HA -0.143 4.498 4.640 0.002 0.000 0.212 399 D C -0.852 175.437 176.300 -0.019 0.000 1.080 399 D CA 1.538 55.531 54.000 -0.012 0.000 0.914 399 D CB -0.702 40.110 40.800 0.021 0.000 1.083 399 D HN 0.445 nan 8.370 nan 0.000 0.439 400 Q N -0.531 119.228 119.800 -0.069 0.000 2.829 400 Q HA 0.632 4.973 4.340 0.002 0.000 0.296 400 Q C -1.869 173.995 176.000 -0.226 0.000 0.893 400 Q CA -0.507 55.201 55.803 -0.158 0.000 0.772 400 Q CB 1.216 29.892 28.738 -0.104 0.000 1.489 400 Q HN 0.188 nan 8.270 nan 0.000 0.420 401 E N 0.909 120.854 120.200 -0.425 0.000 2.307 401 E HA 0.400 4.752 4.350 0.002 0.000 0.280 401 E C -1.624 174.706 176.600 -0.450 0.000 0.900 401 E CA -0.303 55.912 56.400 -0.309 0.000 0.790 401 E CB 1.241 30.824 29.700 -0.195 0.000 1.261 401 E HN 0.448 nan 8.360 nan 0.000 0.405 402 Y N 0.599 120.883 120.300 -0.027 0.000 2.409 402 Y HA 0.338 4.889 4.550 0.002 0.000 0.339 402 Y C 0.603 176.522 175.900 0.032 0.000 1.033 402 Y CA -0.851 57.279 58.100 0.049 0.000 1.094 402 Y CB 1.843 40.404 38.460 0.168 0.000 1.210 402 Y HN 0.357 nan 8.280 nan 0.000 0.456 403 S N 1.027 116.868 115.700 0.236 0.000 2.610 403 S HA 0.270 4.742 4.470 0.002 0.000 0.273 403 S C 0.656 175.488 174.600 0.387 0.000 1.274 403 S CA -0.635 57.706 58.200 0.234 0.000 1.023 403 S CB 0.545 63.850 63.200 0.176 0.000 0.962 403 S HN 0.538 nan 8.310 nan 0.000 0.523 404 F N 1.753 121.819 119.950 0.194 0.000 2.063 404 F HA -0.127 4.402 4.527 0.002 0.000 0.298 404 F C 2.312 178.242 175.800 0.218 0.000 1.109 404 F CA 1.946 60.134 58.000 0.313 0.000 1.212 404 F CB -1.018 38.116 39.000 0.223 0.000 0.973 404 F HN 0.565 nan 8.300 nan 0.000 0.480 405 K N 0.143 120.754 120.400 0.350 0.000 2.163 405 K HA -0.263 4.058 4.320 0.002 0.000 0.210 405 K C 1.736 178.422 176.600 0.142 0.000 1.048 405 K CA 2.060 58.463 56.287 0.193 0.000 0.928 405 K CB -0.604 31.985 32.500 0.149 0.000 0.716 405 K HN 0.594 nan 8.250 nan 0.000 0.459 406 Q N -1.549 118.383 119.800 0.220 0.000 2.319 406 Q HA 0.106 4.447 4.340 0.002 0.000 0.209 406 Q C 1.464 177.597 176.000 0.222 0.000 0.884 406 Q CA 0.087 56.019 55.803 0.215 0.000 0.938 406 Q CB 0.016 28.929 28.738 0.292 0.000 1.098 406 Q HN 0.204 nan 8.270 nan 0.000 0.517 407 F N 1.931 121.901 119.950 0.034 0.000 2.179 407 F HA 0.234 4.762 4.527 0.002 0.000 0.292 407 F C 0.884 176.554 175.800 -0.216 0.000 1.089 407 F CA -0.232 57.696 58.000 -0.121 0.000 1.295 407 F CB 0.154 39.090 39.000 -0.107 0.000 1.041 407 F HN -0.068 nan 8.300 nan 0.000 0.487 408 L N 2.304 123.469 121.223 -0.096 0.000 2.615 408 L HA -0.161 4.180 4.340 0.002 0.000 0.284 408 L C 0.160 176.584 176.870 -0.743 0.000 1.237 408 L CA 0.092 54.688 54.840 -0.407 0.000 0.905 408 L CB -0.943 40.843 42.059 -0.455 0.000 1.149 408 L HN 0.543 nan 8.230 nan 0.000 0.499 409 Y N 1.171 121.439 120.300 -0.052 0.000 2.973 409 Y HA -0.304 4.247 4.550 0.002 0.000 0.210 409 Y C 0.062 175.923 175.900 -0.066 0.000 1.191 409 Y CA 0.174 58.250 58.100 -0.041 0.000 0.991 409 Y CB -2.195 36.282 38.460 0.028 0.000 1.231 409 Y HN 0.696 nan 8.280 nan 0.000 0.504 410 N N 1.568 120.197 118.700 -0.119 0.000 2.424 410 N HA 0.136 4.877 4.740 0.002 0.000 0.271 410 N C 0.785 176.154 175.510 -0.235 0.000 0.985 410 N CA -0.120 52.850 53.050 -0.134 0.000 0.921 410 N CB 1.034 39.419 38.487 -0.172 0.000 1.149 410 N HN 0.478 nan 8.380 nan 0.000 0.492 411 N N 2.663 121.223 118.700 -0.233 0.000 2.006 411 N HA -0.187 4.554 4.740 0.002 0.000 0.196 411 N C 1.258 176.582 175.510 -0.311 0.000 1.057 411 N CA 2.248 55.075 53.050 -0.371 0.000 0.853 411 N CB -0.341 37.972 38.487 -0.289 0.000 1.051 411 N HN 0.600 nan 8.380 nan 0.000 0.423 412 S N 1.523 117.112 115.700 -0.186 0.000 2.435 412 S HA -0.282 4.189 4.470 0.002 0.000 0.250 412 S C 2.199 176.748 174.600 -0.084 0.000 1.065 412 S CA 2.082 60.212 58.200 -0.117 0.000 1.243 412 S CB -1.285 61.885 63.200 -0.051 0.000 1.158 412 S HN 0.486 nan 8.310 nan 0.000 0.430 413 I N 1.410 121.948 120.570 -0.054 0.000 2.161 413 I HA -0.290 3.882 4.170 0.002 0.000 0.246 413 I C 2.519 178.864 176.117 0.379 0.000 1.048 413 I CA 1.798 63.159 61.300 0.101 0.000 1.314 413 I CB -0.580 37.331 38.000 -0.148 0.000 1.014 413 I HN 0.227 nan 8.210 nan 0.000 0.418 414 L N 0.375 121.633 121.223 0.059 0.000 2.023 414 L HA -0.103 4.238 4.340 0.002 0.000 0.205 414 L C 2.323 179.141 176.870 -0.086 0.000 1.073 414 L CA 1.586 56.328 54.840 -0.163 0.000 0.745 414 L CB -0.432 41.341 42.059 -0.476 0.000 0.900 414 L HN 0.098 nan 8.230 nan 0.000 0.435 415 L N -0.450 120.653 121.223 -0.200 0.000 2.081 415 L HA -0.209 4.132 4.340 0.002 0.000 0.212 415 L C 2.667 179.517 176.870 -0.034 0.000 1.080 415 L CA 1.231 55.968 54.840 -0.171 0.000 0.754 415 L CB -0.540 41.398 42.059 -0.202 0.000 0.893 415 L HN 0.394 nan 8.230 nan 0.000 0.433 416 E N -0.635 119.534 120.200 -0.052 0.000 2.033 416 E HA -0.167 4.184 4.350 0.002 0.000 0.189 416 E C 2.088 178.597 176.600 -0.153 0.000 0.979 416 E CA 1.377 57.693 56.400 -0.139 0.000 0.802 416 E CB -0.189 29.345 29.700 -0.276 0.000 0.763 416 E HN 0.626 nan 8.360 nan 0.000 0.449 417 H N -0.287 118.888 119.070 0.174 0.000 2.436 417 H HA 0.189 4.746 4.556 0.002 0.000 0.294 417 H C 1.097 176.562 175.328 0.228 0.000 1.048 417 H CA 0.705 56.869 56.048 0.192 0.000 1.353 417 H CB 0.106 29.962 29.762 0.156 0.000 1.414 417 H HN 0.295 nan 8.280 nan 0.000 0.536 418 G N 0.018 109.021 108.800 0.338 0.000 2.795 418 G HA2 -0.230 3.731 3.960 0.002 0.000 0.664 418 G HA3 -0.230 3.731 3.960 0.002 0.000 0.664 418 G C 0.453 175.445 174.900 0.152 0.000 1.381 418 G CA -0.201 45.023 45.100 0.207 0.000 0.853 418 G HN 0.156 nan 8.290 nan 0.000 0.545 419 L N 0.723 121.959 121.223 0.021 0.000 2.083 419 L HA -0.081 4.260 4.340 0.002 0.000 0.209 419 L C 3.189 180.081 176.870 0.037 0.000 1.083 419 L CA 2.899 57.705 54.840 -0.057 0.000 0.752 419 L CB -1.948 40.045 42.059 -0.109 0.000 0.899 419 L HN 0.856 nan 8.230 nan 0.000 0.433 420 T N -0.922 113.661 114.554 0.049 0.000 2.569 420 T HA -0.226 4.125 4.350 0.002 0.000 0.263 420 T C 1.142 175.893 174.700 0.085 0.000 1.074 420 T CA 0.973 63.102 62.100 0.050 0.000 1.176 420 T CB -0.231 68.660 68.868 0.038 0.000 0.863 420 T HN 0.046 nan 8.240 nan 0.000 0.410 421 Q N 0.421 120.291 119.800 0.116 0.000 2.837 421 Q HA 0.367 4.708 4.340 0.002 0.000 0.235 421 Q C -0.682 175.378 176.000 0.099 0.000 1.348 421 Q CA -0.098 55.757 55.803 0.087 0.000 0.990 421 Q CB -0.660 28.138 28.738 0.100 0.000 1.570 421 Q HN 0.518 nan 8.270 nan 0.000 0.575 422 F N -0.193 119.660 119.950 -0.161 0.000 1.837 422 F HA -0.051 4.478 4.527 0.002 0.000 0.371 422 F C 1.073 176.705 175.800 -0.280 0.000 1.006 422 F CA 0.260 58.042 58.000 -0.364 0.000 1.120 422 F CB 0.219 39.056 39.000 -0.273 0.000 1.527 422 F HN 0.163 nan 8.300 nan 0.000 0.423 423 V N 0.856 120.833 119.914 0.105 0.000 2.307 423 V HA -0.200 3.921 4.120 0.002 0.000 0.245 423 V C 1.907 178.058 176.094 0.094 0.000 1.045 423 V CA 2.511 64.864 62.300 0.089 0.000 1.024 423 V CB -0.452 31.383 31.823 0.020 0.000 0.651 423 V HN 0.312 nan 8.190 nan 0.000 0.449 424 E N 0.468 120.705 120.200 0.060 0.000 2.017 424 E HA -0.188 4.164 4.350 0.002 0.000 0.193 424 E C 2.337 178.974 176.600 0.061 0.000 0.997 424 E CA 1.711 58.152 56.400 0.068 0.000 0.804 424 E CB -0.309 29.421 29.700 0.050 0.000 0.757 424 E HN 0.480 nan 8.360 nan 0.000 0.448 425 S N 0.128 115.809 115.700 -0.032 0.000 2.462 425 S HA -0.126 4.346 4.470 0.002 0.000 0.243 425 S C 1.303 175.983 174.600 0.133 0.000 1.003 425 S CA 0.856 59.015 58.200 -0.068 0.000 0.970 425 S CB -0.109 62.895 63.200 -0.327 0.000 0.762 425 S HN 0.183 nan 8.310 nan 0.000 0.510 426 F N 1.154 121.140 119.950 0.060 0.000 2.559 426 F HA 0.170 4.698 4.527 0.002 0.000 0.286 426 F C 2.464 178.331 175.800 0.113 0.000 1.108 426 F CA 0.007 58.073 58.000 0.110 0.000 1.436 426 F CB -1.373 37.745 39.000 0.197 0.000 1.130 426 F HN 0.067 nan 8.300 nan 0.000 0.584 427 T N 0.012 114.741 114.554 0.293 0.000 2.720 427 T HA -0.184 4.167 4.350 0.002 0.000 0.268 427 T C 1.106 175.917 174.700 0.186 0.000 1.037 427 T CA 1.056 63.278 62.100 0.202 0.000 1.144 427 T CB -0.332 68.636 68.868 0.166 0.000 0.864 427 T HN -0.071 nan 8.240 nan 0.000 0.444 428 R N 2.275 122.881 120.500 0.176 0.000 2.608 428 R HA 0.430 4.771 4.340 0.002 0.000 0.277 428 R C -0.276 176.100 176.300 0.127 0.000 1.341 428 R CA 0.005 56.182 56.100 0.129 0.000 1.199 428 R CB -0.003 30.355 30.300 0.098 0.000 1.156 428 R HN 0.343 nan 8.270 nan 0.000 0.558 429 Q N 2.158 122.021 119.800 0.105 0.000 3.227 429 Q HA 0.074 4.415 4.340 0.002 0.000 0.181 429 Q C -1.485 174.540 176.000 0.041 0.000 0.905 429 Q CA -0.191 55.651 55.803 0.067 0.000 1.313 429 Q CB 0.575 29.370 28.738 0.096 0.000 1.585 429 Q HN 0.615 nan 8.270 nan 0.000 0.639 430 I N 2.722 123.318 120.570 0.043 0.000 2.779 430 I HA 0.661 4.833 4.170 0.002 0.000 0.285 430 I C -0.091 176.089 176.117 0.106 0.000 1.134 430 I CA 0.262 61.602 61.300 0.067 0.000 1.398 430 I CB 0.877 38.937 38.000 0.100 0.000 1.404 430 I HN 0.763 nan 8.210 nan 0.000 0.587 431 A N 5.014 127.889 122.820 0.091 0.000 2.288 431 A HA 0.748 5.069 4.320 0.002 0.000 0.328 431 A C 0.278 177.953 177.584 0.152 0.000 1.123 431 A CA -0.111 52.002 52.037 0.128 0.000 0.861 431 A CB 0.574 19.578 19.000 0.006 0.000 1.272 431 A HN 0.872 nan 8.150 nan 0.000 0.490 432 G N -0.677 108.210 108.800 0.146 0.000 2.527 432 G HA2 0.430 4.391 3.960 0.002 0.000 0.279 432 G HA3 0.430 4.391 3.960 0.002 0.000 0.279 432 G C 0.026 174.783 174.900 -0.238 0.000 1.374 432 G CA -0.364 44.659 45.100 -0.129 0.000 1.053 432 G HN 0.736 nan 8.290 nan 0.000 0.539 433 R N -1.280 119.055 120.500 -0.274 0.000 2.502 433 R HA 0.374 4.716 4.340 0.002 0.000 0.300 433 R C 0.748 176.908 176.300 -0.233 0.000 0.984 433 R CA -0.607 55.316 56.100 -0.296 0.000 0.882 433 R CB 2.040 32.161 30.300 -0.298 0.000 1.180 433 R HN 0.267 nan 8.270 nan 0.000 0.444 434 V N 2.754 122.504 119.914 -0.274 0.000 2.273 434 V HA -0.066 4.055 4.120 0.002 0.000 0.242 434 V C 1.674 177.704 176.094 -0.107 0.000 1.035 434 V CA 2.003 64.205 62.300 -0.164 0.000 1.013 434 V CB -0.410 31.299 31.823 -0.189 0.000 0.652 434 V HN 0.824 nan 8.190 nan 0.000 0.452 435 A N 0.410 123.165 122.820 -0.109 0.000 2.346 435 A HA 0.424 4.746 4.320 0.002 0.000 0.242 435 A C 1.812 179.340 177.584 -0.095 0.000 1.323 435 A CA 0.764 52.763 52.037 -0.064 0.000 0.940 435 A CB -0.934 18.061 19.000 -0.008 0.000 0.943 435 A HN 0.481 nan 8.150 nan 0.000 0.501 436 G N -0.060 108.668 108.800 -0.121 0.000 2.624 436 G HA2 0.445 4.407 3.960 0.002 0.000 0.216 436 G HA3 0.445 4.407 3.960 0.002 0.000 0.216 436 G C 0.769 175.613 174.900 -0.092 0.000 1.274 436 G CA 0.684 45.714 45.100 -0.118 0.000 0.856 436 G HN 1.553 nan 8.290 nan 0.000 0.555 437 G N -2.140 106.606 108.800 -0.091 0.000 2.350 437 G HA2 0.355 4.316 3.960 0.002 0.000 0.305 437 G HA3 0.355 4.316 3.960 0.002 0.000 0.305 437 G C -0.380 174.476 174.900 -0.072 0.000 1.479 437 G CA -0.415 44.640 45.100 -0.074 0.000 0.949 437 G HN 0.681 nan 8.290 nan 0.000 0.651 438 R N -0.274 120.191 120.500 -0.058 0.000 2.955 438 R HA -0.225 4.116 4.340 0.002 0.000 0.239 438 R C 0.267 176.538 176.300 -0.049 0.000 0.848 438 R CA 0.998 57.070 56.100 -0.047 0.000 0.586 438 R CB -0.877 29.396 30.300 -0.045 0.000 1.098 438 R HN 0.460 nan 8.270 nan 0.000 0.499 439 N N -0.372 118.304 118.700 -0.040 0.000 2.118 439 N HA 0.050 4.791 4.740 0.002 0.000 0.226 439 N C -0.458 175.071 175.510 0.030 0.000 1.305 439 N CA 0.037 53.066 53.050 -0.034 0.000 0.890 439 N CB 1.008 39.441 38.487 -0.090 0.000 1.118 439 N HN 0.095 nan 8.380 nan 0.000 0.511 440 V N 3.280 123.219 119.914 0.041 0.000 2.485 440 V HA 0.206 4.328 4.120 0.002 0.000 0.287 440 V C -1.987 174.136 176.094 0.049 0.000 1.022 440 V CA -0.961 61.389 62.300 0.084 0.000 1.067 440 V CB 0.696 32.570 31.823 0.086 0.000 0.967 440 V HN 0.095 nan 8.190 nan 0.000 0.479 441 P HA 0.090 nan 4.420 nan 0.000 0.266 441 P C 0.877 178.106 177.300 -0.119 0.000 1.195 441 P CA -0.029 63.042 63.100 -0.048 0.000 0.768 441 P CB 0.629 32.272 31.700 -0.095 0.000 0.838 442 I N 3.225 123.712 120.570 -0.138 0.000 2.286 442 I HA -0.288 3.884 4.170 0.002 0.000 0.248 442 I C 2.133 178.142 176.117 -0.180 0.000 1.115 442 I CA 1.778 63.004 61.300 -0.123 0.000 1.392 442 I CB -0.788 37.153 38.000 -0.099 0.000 1.065 442 I HN 0.400 nan 8.210 nan 0.000 0.418 443 A N -0.414 122.204 122.820 -0.337 0.000 1.873 443 A HA -0.213 4.108 4.320 0.002 0.000 0.218 443 A C 2.278 179.718 177.584 -0.240 0.000 1.193 443 A CA 2.181 53.989 52.037 -0.382 0.000 0.629 443 A CB -1.219 17.244 19.000 -0.896 0.000 0.826 443 A HN 0.233 nan 8.150 nan 0.000 0.447 444 V N 1.690 121.447 119.914 -0.262 0.000 3.541 444 V HA -0.203 3.918 4.120 0.002 0.000 0.272 444 V C 2.503 178.534 176.094 -0.105 0.000 1.215 444 V CA 1.584 63.788 62.300 -0.159 0.000 1.176 444 V CB -1.217 30.523 31.823 -0.137 0.000 0.854 444 V HN 0.902 nan 8.190 nan 0.000 0.496 445 Q N 0.978 120.731 119.800 -0.079 0.000 2.135 445 Q HA -0.213 4.128 4.340 0.002 0.000 0.204 445 Q C 2.156 178.151 176.000 -0.008 0.000 0.981 445 Q CA 2.149 57.936 55.803 -0.028 0.000 0.856 445 Q CB -0.513 28.207 28.738 -0.031 0.000 0.902 445 Q HN 0.499 nan 8.270 nan 0.000 0.425 446 A N 1.249 124.058 122.820 -0.019 0.000 1.883 446 A HA -0.141 4.181 4.320 0.002 0.000 0.217 446 A C 2.341 179.927 177.584 0.004 0.000 1.186 446 A CA 1.758 53.792 52.037 -0.005 0.000 0.624 446 A CB -0.969 18.029 19.000 -0.003 0.000 0.822 446 A HN 0.273 nan 8.150 nan 0.000 0.444 447 V N -0.038 119.871 119.914 -0.009 0.000 2.214 447 V HA -0.292 3.830 4.120 0.002 0.000 0.244 447 V C 3.049 179.185 176.094 0.071 0.000 1.045 447 V CA 2.224 64.535 62.300 0.018 0.000 0.993 447 V CB -1.638 30.132 31.823 -0.088 0.000 0.633 447 V HN 0.646 nan 8.190 nan 0.000 0.449 448 A N -0.475 122.423 122.820 0.131 0.000 1.985 448 A HA -0.385 3.936 4.320 0.002 0.000 0.223 448 A C 2.350 180.050 177.584 0.194 0.000 1.189 448 A CA 2.774 54.970 52.037 0.264 0.000 0.658 448 A CB -0.675 18.483 19.000 0.264 0.000 0.820 448 A HN 0.589 nan 8.150 nan 0.000 0.464 449 K N -0.783 119.674 120.400 0.096 0.000 2.001 449 K HA -0.040 4.281 4.320 0.002 0.000 0.208 449 K C 2.326 178.938 176.600 0.019 0.000 1.048 449 K CA 1.130 57.456 56.287 0.065 0.000 0.932 449 K CB -0.424 32.097 32.500 0.034 0.000 0.715 449 K HN 0.374 nan 8.250 nan 0.000 0.437 450 A N 1.227 124.043 122.820 -0.007 0.000 1.896 450 A HA -0.272 4.049 4.320 0.002 0.000 0.220 450 A C 2.202 179.710 177.584 -0.126 0.000 1.206 450 A CA 2.683 54.694 52.037 -0.044 0.000 0.647 450 A CB -1.110 17.873 19.000 -0.028 0.000 0.828 450 A HN 0.462 nan 8.150 nan 0.000 0.455 451 S N -0.193 115.366 115.700 -0.235 0.000 2.380 451 S HA -0.205 4.266 4.470 0.002 0.000 0.229 451 S C 1.782 176.103 174.600 -0.465 0.000 1.043 451 S CA 1.796 59.639 58.200 -0.595 0.000 1.038 451 S CB -0.624 61.871 63.200 -1.175 0.000 0.872 451 S HN 0.563 nan 8.310 nan 0.000 0.456 452 I N 1.990 122.474 120.570 -0.144 0.000 2.286 452 I HA -0.144 4.027 4.170 0.002 0.000 0.245 452 I C 1.677 177.767 176.117 -0.045 0.000 1.104 452 I CA 1.223 62.535 61.300 0.021 0.000 1.397 452 I CB -0.407 37.682 38.000 0.149 0.000 1.072 452 I HN 0.298 nan 8.210 nan 0.000 0.417 453 D N -0.173 120.200 120.400 -0.044 0.000 2.325 453 D HA -0.056 4.585 4.640 0.002 0.000 0.225 453 D C 1.580 177.854 176.300 -0.044 0.000 1.096 453 D CA 0.233 54.216 54.000 -0.029 0.000 0.844 453 D CB 0.153 40.952 40.800 -0.000 0.000 0.925 453 D HN 0.413 nan 8.370 nan 0.000 0.513 454 Q N -0.111 119.629 119.800 -0.099 0.000 2.387 454 Q HA 0.102 4.443 4.340 0.002 0.000 0.208 454 Q C 1.729 177.659 176.000 -0.117 0.000 0.935 454 Q CA 0.229 55.986 55.803 -0.078 0.000 0.891 454 Q CB 0.384 29.068 28.738 -0.090 0.000 1.007 454 Q HN 0.064 nan 8.270 nan 0.000 0.548 455 S N 0.793 116.324 115.700 -0.281 0.000 2.440 455 S HA -0.137 4.334 4.470 0.002 0.000 0.238 455 S C 1.660 176.138 174.600 -0.204 0.000 1.010 455 S CA 1.027 58.924 58.200 -0.505 0.000 0.972 455 S CB -0.085 62.550 63.200 -0.941 0.000 0.774 455 S HN 0.214 nan 8.310 nan 0.000 0.501 456 R N 0.918 121.360 120.500 -0.096 0.000 2.073 456 R HA 0.014 4.356 4.340 0.002 0.000 0.229 456 R C 2.288 178.621 176.300 0.055 0.000 1.120 456 R CA 1.086 57.192 56.100 0.010 0.000 0.967 456 R CB -0.056 30.253 30.300 0.015 0.000 0.862 456 R HN 0.478 nan 8.270 nan 0.000 0.436 457 E N 0.277 120.501 120.200 0.041 0.000 2.038 457 E HA -0.189 4.162 4.350 0.002 0.000 0.195 457 E C 1.019 177.680 176.600 0.101 0.000 1.000 457 E CA 1.136 57.577 56.400 0.068 0.000 0.803 457 E CB -0.089 29.649 29.700 0.063 0.000 0.750 457 E HN 0.337 nan 8.360 nan 0.000 0.448 458 M N 1.526 121.204 119.600 0.130 0.000 3.168 458 M HA 0.048 4.529 4.480 0.002 0.000 0.202 458 M C -0.423 176.015 176.300 0.230 0.000 1.310 458 M CA 0.270 55.676 55.300 0.177 0.000 1.302 458 M CB -0.493 32.267 32.600 0.266 0.000 1.484 458 M HN -0.107 nan 8.290 nan 0.000 0.434 459 K N 0.750 121.250 120.400 0.167 0.000 4.007 459 K HA -0.218 4.103 4.320 0.002 0.000 0.273 459 K C -0.590 176.127 176.600 0.195 0.000 0.767 459 K CA 0.670 57.047 56.287 0.151 0.000 0.596 459 K CB -1.452 31.098 32.500 0.083 0.000 1.875 459 K HN 0.313 nan 8.250 nan 0.000 0.423 460 Y N 0.771 121.108 120.300 0.062 0.000 2.279 460 Y HA -0.026 4.525 4.550 0.002 0.000 0.350 460 Y C 1.530 177.513 175.900 0.139 0.000 1.288 460 Y CA 0.251 58.428 58.100 0.129 0.000 1.547 460 Y CB 0.503 39.034 38.460 0.118 0.000 1.381 460 Y HN 0.239 nan 8.280 nan 0.000 0.630 461 Q N -0.271 119.776 119.800 0.411 0.000 2.306 461 Q HA 0.401 4.743 4.340 0.002 0.000 0.269 461 Q C -0.514 175.679 176.000 0.321 0.000 1.053 461 Q CA -1.084 54.855 55.803 0.226 0.000 0.879 461 Q CB 1.563 30.288 28.738 -0.021 0.000 1.344 461 Q HN 0.759 nan 8.270 nan 0.000 0.464 462 S N 0.260 116.058 115.700 0.163 0.000 2.566 462 S HA -0.064 4.407 4.470 0.002 0.000 0.280 462 S C 1.018 175.744 174.600 0.210 0.000 1.343 462 S CA -0.365 57.913 58.200 0.129 0.000 1.036 462 S CB 0.365 63.590 63.200 0.041 0.000 0.866 462 S HN 0.694 nan 8.310 nan 0.000 0.526 463 L N 1.629 122.926 121.223 0.123 0.000 2.129 463 L HA -0.166 4.175 4.340 0.002 0.000 0.212 463 L C 1.839 178.773 176.870 0.107 0.000 1.087 463 L CA 1.909 56.822 54.840 0.121 0.000 0.757 463 L CB -0.893 41.193 42.059 0.045 0.000 0.896 463 L HN 0.796 nan 8.230 nan 0.000 0.434 464 N N -0.958 117.769 118.700 0.045 0.000 2.250 464 N HA -0.135 4.607 4.740 0.002 0.000 0.181 464 N C 1.556 177.066 175.510 -0.000 0.000 1.017 464 N CA 0.918 53.962 53.050 -0.010 0.000 0.866 464 N CB 0.047 38.511 38.487 -0.039 0.000 0.985 464 N HN 0.435 nan 8.380 nan 0.000 0.429 465 E N 0.648 120.851 120.200 0.005 0.000 2.110 465 E HA -0.149 4.202 4.350 0.002 0.000 0.193 465 E C 1.476 178.030 176.600 -0.077 0.000 0.988 465 E CA 1.024 57.383 56.400 -0.068 0.000 0.804 465 E CB -0.284 29.344 29.700 -0.119 0.000 0.745 465 E HN 0.478 nan 8.360 nan 0.000 0.458 466 Y N 0.718 121.056 120.300 0.063 0.000 2.352 466 Y HA -0.077 4.474 4.550 0.002 0.000 0.292 466 Y C 2.478 178.483 175.900 0.175 0.000 1.136 466 Y CA 1.013 59.205 58.100 0.154 0.000 1.227 466 Y CB 0.067 38.616 38.460 0.148 0.000 0.991 466 Y HN -0.029 nan 8.280 nan 0.000 0.545 467 R N -0.006 120.599 120.500 0.175 0.000 2.062 467 R HA -0.090 4.251 4.340 0.002 0.000 0.226 467 R C 2.032 178.374 176.300 0.070 0.000 1.125 467 R CA 1.382 57.526 56.100 0.074 0.000 0.966 467 R CB -0.143 30.098 30.300 -0.099 0.000 0.861 467 R HN 0.247 nan 8.270 nan 0.000 0.433 468 K N 0.224 120.632 120.400 0.014 0.000 2.097 468 K HA -0.147 4.174 4.320 0.002 0.000 0.205 468 K C 2.057 178.652 176.600 -0.008 0.000 1.050 468 K CA 1.181 57.457 56.287 -0.018 0.000 0.938 468 K CB -0.132 32.332 32.500 -0.060 0.000 0.718 468 K HN -0.087 nan 8.250 nan 0.000 0.442 469 R N 1.056 121.558 120.500 0.002 0.000 2.117 469 R HA -0.124 4.217 4.340 0.002 0.000 0.243 469 R C 0.685 176.905 176.300 -0.132 0.000 1.143 469 R CA 1.561 57.617 56.100 -0.074 0.000 0.968 469 R CB -0.418 29.847 30.300 -0.058 0.000 0.863 469 R HN 0.138 nan 8.270 nan 0.000 0.444 470 F N 0.463 120.393 119.950 -0.033 0.000 2.819 470 F HA 0.334 4.862 4.527 0.002 0.000 0.294 470 F C 0.478 176.258 175.800 -0.034 0.000 1.166 470 F CA -0.004 57.965 58.000 -0.052 0.000 1.374 470 F CB 0.207 39.194 39.000 -0.023 0.000 0.956 470 F HN -0.047 nan 8.300 nan 0.000 0.509 471 S N 0.357 116.112 115.700 0.092 0.000 3.586 471 S HA -0.190 4.281 4.470 0.002 0.000 0.309 471 S C -0.003 174.644 174.600 0.079 0.000 1.195 471 S CA 0.283 58.538 58.200 0.092 0.000 0.895 471 S CB -1.850 61.434 63.200 0.140 0.000 0.983 471 S HN 0.290 nan 8.310 nan 0.000 0.563 472 L N 0.584 121.840 121.223 0.054 0.000 2.331 472 L HA 0.520 4.862 4.340 0.002 0.000 0.275 472 L C 0.466 177.307 176.870 -0.049 0.000 1.022 472 L CA -0.704 54.136 54.840 -0.001 0.000 0.812 472 L CB 1.092 43.129 42.059 -0.037 0.000 1.257 472 L HN -0.008 nan 8.230 nan 0.000 0.435 473 K N 2.083 122.442 120.400 -0.068 0.000 2.270 473 K HA 0.316 4.637 4.320 0.002 0.000 0.276 473 K C -2.356 174.156 176.600 -0.147 0.000 1.023 473 K CA -1.516 54.728 56.287 -0.071 0.000 0.955 473 K CB 0.996 33.478 32.500 -0.029 0.000 0.975 473 K HN 0.202 nan 8.250 nan 0.000 0.471 474 P HA -0.018 nan 4.420 nan 0.000 0.271 474 P C -1.112 176.156 177.300 -0.053 0.000 1.216 474 P CA -0.001 63.027 63.100 -0.120 0.000 0.776 474 P CB 0.270 31.934 31.700 -0.061 0.000 0.881 475 Y N 0.722 120.986 120.300 -0.060 0.000 2.425 475 Y HA 0.106 4.657 4.550 0.002 0.000 0.331 475 Y C 1.998 177.835 175.900 -0.106 0.000 1.157 475 Y CA 0.108 58.159 58.100 -0.081 0.000 1.372 475 Y CB -0.026 38.365 38.460 -0.116 0.000 1.253 475 Y HN 0.383 nan 8.280 nan 0.000 0.536 476 T N -2.628 111.982 114.554 0.093 0.000 3.040 476 T HA 0.260 4.611 4.350 0.002 0.000 0.250 476 T C -0.016 174.667 174.700 -0.030 0.000 1.058 476 T CA 0.352 62.461 62.100 0.015 0.000 0.988 476 T CB -0.208 68.678 68.868 0.031 0.000 0.993 476 T HN 0.489 nan 8.240 nan 0.000 0.519 477 S N -0.424 115.230 115.700 -0.077 0.000 2.556 477 S HA 0.484 4.955 4.470 0.002 0.000 0.280 477 S C -0.191 174.333 174.600 -0.128 0.000 1.141 477 S CA -0.971 57.188 58.200 -0.068 0.000 0.883 477 S CB 0.065 63.283 63.200 0.031 0.000 1.103 477 S HN -0.068 nan 8.310 nan 0.000 0.453 478 F N 1.303 121.229 119.950 -0.039 0.000 2.307 478 F HA 0.007 4.535 4.527 0.002 0.000 0.301 478 F C 2.213 177.944 175.800 -0.116 0.000 1.076 478 F CA 1.299 59.255 58.000 -0.074 0.000 1.383 478 F CB -0.682 38.309 39.000 -0.015 0.000 1.055 478 F HN 0.605 nan 8.300 nan 0.000 0.526 479 E N 0.223 120.492 120.200 0.114 0.000 2.072 479 E HA -0.193 4.159 4.350 0.002 0.000 0.191 479 E C 2.092 178.656 176.600 -0.060 0.000 0.985 479 E CA 1.220 57.638 56.400 0.029 0.000 0.801 479 E CB -0.387 29.340 29.700 0.045 0.000 0.750 479 E HN 0.505 nan 8.360 nan 0.000 0.452 480 E N 0.338 120.476 120.200 -0.104 0.000 2.072 480 E HA -0.186 4.165 4.350 0.002 0.000 0.191 480 E C 1.991 178.355 176.600 -0.393 0.000 0.985 480 E CA 0.706 57.007 56.400 -0.165 0.000 0.801 480 E CB -0.041 29.598 29.700 -0.101 0.000 0.750 480 E HN 0.189 nan 8.360 nan 0.000 0.452 481 L N 1.131 121.977 121.223 -0.628 0.000 1.990 481 L HA -0.202 4.139 4.340 0.002 0.000 0.213 481 L C 2.501 179.125 176.870 -0.411 0.000 1.072 481 L CA 3.041 57.323 54.840 -0.930 0.000 0.755 481 L CB -1.245 40.438 42.059 -0.628 0.000 0.889 481 L HN 0.324 nan 8.230 nan 0.000 0.432 482 T N -3.482 110.951 114.554 -0.202 0.000 2.978 482 T HA 0.234 4.585 4.350 0.002 0.000 0.262 482 T C 1.524 176.172 174.700 -0.087 0.000 1.063 482 T CA 0.550 62.587 62.100 -0.105 0.000 1.140 482 T CB -0.724 68.114 68.868 -0.050 0.000 0.886 482 T HN 0.972 nan 8.240 nan 0.000 0.470 483 G N 1.938 110.686 108.800 -0.088 0.000 2.182 483 G HA2 -0.032 3.930 3.960 0.002 0.000 0.248 483 G HA3 -0.032 3.930 3.960 0.002 0.000 0.248 483 G C -0.214 174.664 174.900 -0.037 0.000 1.042 483 G CA 0.507 45.574 45.100 -0.056 0.000 0.775 483 G HN 1.099 nan 8.290 nan 0.000 0.501 484 E N -2.825 117.355 120.200 -0.033 0.000 2.402 484 E HA 0.727 5.078 4.350 0.002 0.000 0.270 484 E C 0.211 176.801 176.600 -0.017 0.000 1.131 484 E CA -0.757 55.628 56.400 -0.025 0.000 0.884 484 E CB 0.061 29.743 29.700 -0.030 0.000 1.564 484 E HN 0.028 nan 8.360 nan 0.000 0.456 485 K N -0.896 119.494 120.400 -0.016 0.000 2.529 485 K HA 0.204 4.525 4.320 0.002 0.000 0.215 485 K C 1.152 177.739 176.600 -0.022 0.000 1.286 485 K CA 0.161 56.441 56.287 -0.012 0.000 0.997 485 K CB 0.503 32.998 32.500 -0.007 0.000 1.063 485 K HN 0.544 nan 8.250 nan 0.000 0.590 486 E N 0.788 120.972 120.200 -0.026 0.000 2.038 486 E HA -0.201 4.150 4.350 0.002 0.000 0.195 486 E C 1.642 178.219 176.600 -0.038 0.000 1.000 486 E CA 1.533 57.914 56.400 -0.032 0.000 0.803 486 E CB 0.105 29.786 29.700 -0.032 0.000 0.750 486 E HN 0.272 nan 8.360 nan 0.000 0.448 487 M N -0.123 119.457 119.600 -0.033 0.000 2.156 487 M HA -0.077 4.405 4.480 0.002 0.000 0.264 487 M C 2.479 178.760 176.300 -0.032 0.000 1.067 487 M CA 1.148 56.429 55.300 -0.033 0.000 1.131 487 M CB -0.168 32.417 32.600 -0.025 0.000 1.368 487 M HN 0.145 nan 8.290 nan 0.000 0.416 488 A N 0.878 123.692 122.820 -0.009 0.000 1.884 488 A HA -0.204 4.117 4.320 0.002 0.000 0.219 488 A C 2.359 179.902 177.584 -0.068 0.000 1.197 488 A CA 2.399 54.451 52.037 0.026 0.000 0.637 488 A CB -1.163 17.867 19.000 0.051 0.000 0.827 488 A HN 0.522 nan 8.150 nan 0.000 0.450 489 A N -0.904 121.875 122.820 -0.067 0.000 2.019 489 A HA -0.106 4.215 4.320 0.002 0.000 0.219 489 A C 1.951 179.444 177.584 -0.152 0.000 1.164 489 A CA 2.151 54.127 52.037 -0.100 0.000 0.644 489 A CB -0.409 18.555 19.000 -0.061 0.000 0.805 489 A HN 0.605 nan 8.150 nan 0.000 0.449 490 E N 0.204 120.325 120.200 -0.132 0.000 2.046 490 E HA -0.066 4.285 4.350 0.002 0.000 0.190 490 E C 1.829 178.303 176.600 -0.210 0.000 0.982 490 E CA 1.043 57.360 56.400 -0.138 0.000 0.800 490 E CB -0.399 29.247 29.700 -0.092 0.000 0.756 490 E HN 0.561 nan 8.360 nan 0.000 0.449 491 L N 0.501 121.586 121.223 -0.230 0.000 2.042 491 L HA -0.180 4.161 4.340 0.002 0.000 0.210 491 L C 2.625 179.070 176.870 -0.708 0.000 1.076 491 L CA 1.704 56.371 54.840 -0.288 0.000 0.749 491 L CB -0.434 41.596 42.059 -0.048 0.000 0.893 491 L HN 0.142 nan 8.230 nan 0.000 0.432 492 K N 0.145 119.925 120.400 -1.035 0.000 2.280 492 K HA -0.176 4.145 4.320 0.002 0.000 0.202 492 K C 1.999 178.347 176.600 -0.421 0.000 1.047 492 K CA 1.066 56.743 56.287 -1.016 0.000 0.942 492 K CB 0.007 32.152 32.500 -0.591 0.000 0.739 492 K HN 0.309 nan 8.250 nan 0.000 0.457 493 A N 0.876 123.505 122.820 -0.318 0.000 1.873 493 A HA -0.081 4.240 4.320 0.002 0.000 0.215 493 A C 2.001 179.462 177.584 -0.206 0.000 1.186 493 A CA 1.143 53.060 52.037 -0.199 0.000 0.616 493 A CB -0.469 18.433 19.000 -0.163 0.000 0.823 493 A HN 0.273 nan 8.150 nan 0.000 0.442 494 L N -2.316 118.738 121.223 -0.282 0.000 2.007 494 L HA -0.140 4.201 4.340 0.002 0.000 0.205 494 L C 2.626 179.259 176.870 -0.395 0.000 1.073 494 L CA 1.420 56.041 54.840 -0.365 0.000 0.744 494 L CB -0.709 41.058 42.059 -0.486 0.000 0.898 494 L HN 0.439 nan 8.230 nan 0.000 0.435 495 Y N -0.845 119.423 120.300 -0.053 0.000 2.231 495 Y HA -0.097 4.454 4.550 0.002 0.000 0.294 495 Y C 2.216 178.202 175.900 0.143 0.000 1.120 495 Y CA 0.627 58.792 58.100 0.108 0.000 1.141 495 Y CB -0.217 38.450 38.460 0.345 0.000 1.022 495 Y HN 0.174 nan 8.280 nan 0.000 0.523 496 S N -1.862 113.992 115.700 0.256 0.000 1.341 496 S HA -0.237 4.235 4.470 0.002 0.000 0.249 496 S C -0.070 174.762 174.600 0.386 0.000 0.629 496 S CA 1.051 59.386 58.200 0.225 0.000 1.126 496 S CB -1.455 61.824 63.200 0.132 0.000 1.168 496 S HN 0.484 nan 8.310 nan 0.000 0.497 497 D N 1.142 121.754 120.400 0.353 0.000 2.232 497 D HA 0.548 5.190 4.640 0.002 0.000 0.242 497 D C 0.783 177.183 176.300 0.166 0.000 1.093 497 D CA -0.329 53.807 54.000 0.227 0.000 0.845 497 D CB 1.325 42.203 40.800 0.129 0.000 1.124 497 D HN 0.206 nan 8.370 nan 0.000 0.467 498 I N 2.821 123.302 120.570 -0.149 0.000 2.361 498 I HA -0.185 3.986 4.170 0.002 0.000 0.251 498 I C 0.839 176.786 176.117 -0.282 0.000 1.133 498 I CA 1.381 62.291 61.300 -0.651 0.000 1.413 498 I CB -0.070 37.556 38.000 -0.624 0.000 1.073 498 I HN 0.293 nan 8.210 nan 0.000 0.424 499 D N 0.066 120.397 120.400 -0.115 0.000 2.355 499 D HA 0.028 4.670 4.640 0.002 0.000 0.253 499 D C 1.171 177.455 176.300 -0.026 0.000 1.187 499 D CA 0.448 54.413 54.000 -0.058 0.000 0.900 499 D CB 0.132 40.916 40.800 -0.026 0.000 0.915 499 D HN 0.302 nan 8.370 nan 0.000 0.516 500 V N -0.170 119.723 119.914 -0.035 0.000 3.392 500 V HA 0.096 4.217 4.120 0.002 0.000 0.294 500 V C 0.301 176.279 176.094 -0.193 0.000 1.561 500 V CA -0.389 61.914 62.300 0.005 0.000 1.056 500 V CB 0.410 32.319 31.823 0.144 0.000 0.882 500 V HN 0.084 nan 8.190 nan 0.000 0.440 501 M N 1.948 121.355 119.600 -0.321 0.000 2.252 501 M HA 0.207 4.688 4.480 0.002 0.000 0.348 501 M C 0.324 176.393 176.300 -0.386 0.000 1.334 501 M CA 0.354 55.280 55.300 -0.623 0.000 1.071 501 M CB -0.282 32.107 32.600 -0.352 0.000 1.763 501 M HN 0.297 nan 8.290 nan 0.000 0.452 502 E N 3.148 123.082 120.200 -0.442 0.000 2.390 502 E HA 0.032 4.383 4.350 0.002 0.000 0.261 502 E C 0.703 177.272 176.600 -0.051 0.000 1.076 502 E CA -0.364 55.963 56.400 -0.122 0.000 0.905 502 E CB 0.814 30.504 29.700 -0.016 0.000 0.984 502 E HN 0.785 nan 8.360 nan 0.000 0.427 503 L N 3.896 125.123 121.223 0.006 0.000 1.994 503 L HA -0.213 4.128 4.340 0.002 0.000 0.208 503 L C 2.018 178.890 176.870 0.003 0.000 1.071 503 L CA 1.807 56.643 54.840 -0.006 0.000 0.745 503 L CB -0.663 41.349 42.059 -0.079 0.000 0.892 503 L HN 0.703 nan 8.230 nan 0.000 0.431 504 Y N 1.081 121.289 120.300 -0.154 0.000 1.993 504 Y HA -0.218 4.333 4.550 0.002 0.000 0.267 504 Y C -0.445 175.422 175.900 -0.054 0.000 1.155 504 Y CA 2.189 60.209 58.100 -0.134 0.000 1.105 504 Y CB -2.100 36.243 38.460 -0.194 0.000 0.960 504 Y HN 0.207 nan 8.280 nan 0.000 0.486 505 P HA -0.281 nan 4.420 nan 0.000 0.215 505 P C 1.631 178.831 177.300 -0.167 0.000 1.163 505 P CA 2.962 65.906 63.100 -0.261 0.000 0.894 505 P CB -0.490 31.191 31.700 -0.031 0.000 0.791 506 A N -0.893 121.882 122.820 -0.075 0.000 1.958 506 A HA -0.234 4.088 4.320 0.002 0.000 0.221 506 A C 2.210 179.776 177.584 -0.030 0.000 1.178 506 A CA 1.812 53.835 52.037 -0.025 0.000 0.642 506 A CB -1.770 17.242 19.000 0.019 0.000 0.816 506 A HN 0.149 nan 8.150 nan 0.000 0.453 507 L N -1.054 120.134 121.223 -0.059 0.000 2.093 507 L HA -0.118 4.223 4.340 0.002 0.000 0.208 507 L C 2.266 179.100 176.870 -0.061 0.000 1.085 507 L CA 0.898 55.714 54.840 -0.039 0.000 0.755 507 L CB -0.378 41.672 42.059 -0.015 0.000 0.904 507 L HN 0.367 nan 8.230 nan 0.000 0.435 508 L N -1.609 119.526 121.223 -0.147 0.000 2.492 508 L HA -0.048 4.293 4.340 0.002 0.000 0.223 508 L C 1.981 178.792 176.870 -0.099 0.000 1.132 508 L CA 0.063 54.821 54.840 -0.136 0.000 0.850 508 L CB 0.006 41.922 42.059 -0.237 0.000 0.966 508 L HN 0.062 nan 8.230 nan 0.000 0.454 509 V N -1.229 118.635 119.914 -0.083 0.000 2.635 509 V HA -0.026 4.095 4.120 0.002 0.000 0.233 509 V C 1.009 177.072 176.094 -0.051 0.000 1.097 509 V CA -0.070 62.195 62.300 -0.059 0.000 1.134 509 V CB 0.053 31.853 31.823 -0.038 0.000 0.841 509 V HN 0.345 nan 8.190 nan 0.000 0.496 510 E N 1.952 122.128 120.200 -0.039 0.000 3.492 510 E HA -0.279 4.072 4.350 0.002 0.000 0.314 510 E C 0.230 176.807 176.600 -0.038 0.000 0.866 510 E CA 0.389 56.768 56.400 -0.035 0.000 1.014 510 E CB 0.159 29.881 29.700 0.036 0.000 1.033 510 E HN 0.392 nan 8.360 nan 0.000 0.505 511 K N 5.761 126.131 120.400 -0.050 0.000 2.430 511 K HA 0.063 4.384 4.320 0.002 0.000 0.280 511 K C -2.334 174.251 176.600 -0.024 0.000 1.063 511 K CA -1.027 55.235 56.287 -0.040 0.000 1.071 511 K CB 0.351 32.828 32.500 -0.038 0.000 0.899 511 K HN 0.145 nan 8.250 nan 0.000 0.473 512 P HA -0.011 nan 4.420 nan 0.000 0.266 512 P C -0.581 176.693 177.300 -0.043 0.000 1.195 512 P CA 0.179 63.243 63.100 -0.059 0.000 0.768 512 P CB 0.504 32.146 31.700 -0.097 0.000 0.838 513 R N 4.655 125.123 120.500 -0.052 0.000 2.679 513 R HA 0.057 4.398 4.340 0.002 0.000 0.268 513 R C -1.498 174.787 176.300 -0.025 0.000 1.044 513 R CA -0.952 55.121 56.100 -0.046 0.000 1.105 513 R CB -0.591 29.616 30.300 -0.156 0.000 0.989 513 R HN 0.474 nan 8.270 nan 0.000 0.447 514 P HA -0.324 nan 4.420 nan 0.000 0.253 514 P C -0.292 176.993 177.300 -0.024 0.000 0.953 514 P CA 1.338 64.458 63.100 0.033 0.000 1.112 514 P CB 0.093 31.852 31.700 0.098 0.000 0.750 515 D N -0.129 120.249 120.400 -0.037 0.000 3.060 515 D HA 0.352 4.993 4.640 0.002 0.000 0.245 515 D C 0.152 176.372 176.300 -0.134 0.000 1.274 515 D CA 0.225 54.174 54.000 -0.086 0.000 0.864 515 D CB -0.366 40.385 40.800 -0.082 0.000 1.073 515 D HN 0.185 nan 8.370 nan 0.000 0.473 516 A N 0.226 122.961 122.820 -0.142 0.000 2.387 516 A HA 0.445 4.766 4.320 0.002 0.000 0.303 516 A C 0.916 178.321 177.584 -0.298 0.000 1.145 516 A CA -0.716 51.192 52.037 -0.216 0.000 0.801 516 A CB 1.404 20.311 19.000 -0.155 0.000 1.342 516 A HN 0.241 nan 8.150 nan 0.000 0.440 517 I N -0.877 119.405 120.570 -0.480 0.000 2.617 517 I HA 0.107 4.279 4.170 0.002 0.000 0.256 517 I C -0.456 175.248 176.117 -0.688 0.000 1.167 517 I CA 0.781 61.677 61.300 -0.674 0.000 1.469 517 I CB -0.119 37.284 38.000 -0.995 0.000 1.098 517 I HN 0.490 nan 8.210 nan 0.000 0.436 518 F N -0.167 119.628 119.950 -0.258 0.000 2.572 518 F HA 0.616 5.144 4.527 0.002 0.000 0.342 518 F C 0.949 176.654 175.800 -0.158 0.000 1.064 518 F CA -0.962 56.899 58.000 -0.231 0.000 1.008 518 F CB 0.273 39.136 39.000 -0.229 0.000 1.303 518 F HN -0.235 nan 8.300 nan 0.000 0.492 519 G N -0.586 108.298 108.800 0.140 0.000 2.557 519 G HA2 0.252 4.213 3.960 0.002 0.000 0.302 519 G HA3 0.252 4.213 3.960 0.002 0.000 0.302 519 G C 0.495 175.427 174.900 0.052 0.000 1.311 519 G CA -0.307 44.832 45.100 0.064 0.000 1.030 519 G HN 0.669 nan 8.290 nan 0.000 0.509 520 E N -1.092 119.142 120.200 0.058 0.000 2.047 520 E HA -0.130 4.221 4.350 0.002 0.000 0.191 520 E C 2.434 179.046 176.600 0.021 0.000 0.987 520 E CA 1.630 58.053 56.400 0.039 0.000 0.799 520 E CB -0.180 29.558 29.700 0.063 0.000 0.752 520 E HN 0.473 nan 8.360 nan 0.000 0.449 521 T N 1.543 116.111 114.554 0.022 0.000 2.529 521 T HA -0.274 4.077 4.350 0.002 0.000 0.261 521 T C 1.825 176.496 174.700 -0.050 0.000 1.110 521 T CA 1.989 64.077 62.100 -0.020 0.000 1.192 521 T CB -0.484 68.385 68.868 0.000 0.000 0.864 521 T HN 0.193 nan 8.240 nan 0.000 0.407 522 M N 0.904 120.470 119.600 -0.056 0.000 2.164 522 M HA -0.187 4.294 4.480 0.002 0.000 0.251 522 M C 1.932 178.122 176.300 -0.183 0.000 1.087 522 M CA 1.564 56.770 55.300 -0.158 0.000 1.071 522 M CB -0.669 31.773 32.600 -0.264 0.000 1.347 522 M HN 0.155 nan 8.290 nan 0.000 0.399 523 V N -0.497 119.369 119.914 -0.079 0.000 2.346 523 V HA -0.143 3.978 4.120 0.002 0.000 0.244 523 V C 2.310 178.426 176.094 0.036 0.000 1.037 523 V CA 1.736 64.033 62.300 -0.004 0.000 1.029 523 V CB -0.833 31.025 31.823 0.058 0.000 0.663 523 V HN 0.385 nan 8.190 nan 0.000 0.454 524 E N 0.365 120.574 120.200 0.015 0.000 2.150 524 E HA -0.090 4.261 4.350 0.002 0.000 0.193 524 E C 2.167 178.705 176.600 -0.104 0.000 0.985 524 E CA 0.990 57.401 56.400 0.019 0.000 0.814 524 E CB -0.139 29.587 29.700 0.044 0.000 0.752 524 E HN 0.510 nan 8.360 nan 0.000 0.466 525 L N -0.371 120.682 121.223 -0.283 0.000 2.071 525 L HA 0.059 4.400 4.340 0.002 0.000 0.201 525 L C 2.524 179.415 176.870 0.036 0.000 1.076 525 L CA 1.193 55.599 54.840 -0.722 0.000 0.755 525 L CB -1.030 40.687 42.059 -0.570 0.000 0.915 525 L HN 0.146 nan 8.230 nan 0.000 0.445 526 G N -0.109 108.846 108.800 0.258 0.000 2.462 526 G HA2 -0.210 3.751 3.960 0.002 0.000 0.220 526 G HA3 -0.210 3.751 3.960 0.002 0.000 0.220 526 G C 1.748 176.935 174.900 0.479 0.000 1.121 526 G CA 0.906 46.352 45.100 0.575 0.000 0.758 526 G HN 0.448 nan 8.290 nan 0.000 0.559 527 A N 1.574 124.551 122.820 0.262 0.000 1.873 527 A HA 0.105 4.426 4.320 0.002 0.000 0.215 527 A C 0.754 178.427 177.584 0.148 0.000 1.186 527 A CA 1.748 53.918 52.037 0.221 0.000 0.616 527 A CB -1.104 18.000 19.000 0.175 0.000 0.823 527 A HN 0.352 nan 8.150 nan 0.000 0.442 528 P HA -0.144 nan 4.420 nan 0.000 0.215 528 P C 1.030 178.262 177.300 -0.112 0.000 1.157 528 P CA 1.198 64.266 63.100 -0.053 0.000 0.868 528 P CB -0.184 31.452 31.700 -0.107 0.000 0.788 529 F N -0.701 119.167 119.950 -0.136 0.000 2.095 529 F HA -0.157 4.371 4.527 0.002 0.000 0.298 529 F C 2.746 178.184 175.800 -0.603 0.000 1.104 529 F CA 1.685 59.356 58.000 -0.548 0.000 1.232 529 F CB -1.495 36.781 39.000 -1.206 0.000 0.987 529 F HN -0.102 nan 8.300 nan 0.000 0.475 530 S N 0.122 115.785 115.700 -0.062 0.000 2.370 530 S HA -0.156 4.315 4.470 0.002 0.000 0.226 530 S C 2.061 176.735 174.600 0.124 0.000 1.033 530 S CA 1.233 59.562 58.200 0.215 0.000 1.011 530 S CB -0.477 63.038 63.200 0.524 0.000 0.852 530 S HN 0.272 nan 8.310 nan 0.000 0.457 531 L N 0.623 121.907 121.223 0.103 0.000 2.217 531 L HA 0.011 4.352 4.340 0.002 0.000 0.211 531 L C 2.428 179.350 176.870 0.086 0.000 1.107 531 L CA 0.988 55.884 54.840 0.093 0.000 0.783 531 L CB -0.349 41.764 42.059 0.091 0.000 0.919 531 L HN 0.205 nan 8.230 nan 0.000 0.442 532 K N 0.957 121.386 120.400 0.050 0.000 1.984 532 K HA -0.079 4.242 4.320 0.002 0.000 0.209 532 K C 1.968 178.579 176.600 0.019 0.000 1.046 532 K CA 1.658 57.984 56.287 0.065 0.000 0.934 532 K CB -0.903 31.574 32.500 -0.038 0.000 0.717 532 K HN 0.133 nan 8.250 nan 0.000 0.438 533 G N 0.564 109.312 108.800 -0.088 0.000 2.535 533 G HA2 -0.133 3.828 3.960 0.002 0.000 0.218 533 G HA3 -0.133 3.828 3.960 0.002 0.000 0.218 533 G C 1.157 176.004 174.900 -0.089 0.000 1.122 533 G CA 0.551 45.555 45.100 -0.161 0.000 0.769 533 G HN 0.195 nan 8.290 nan 0.000 0.549 534 L N -0.445 120.780 121.223 0.003 0.000 2.189 534 L HA 0.252 4.594 4.340 0.002 0.000 0.199 534 L C 2.779 179.709 176.870 0.100 0.000 1.074 534 L CA 0.847 55.706 54.840 0.032 0.000 0.783 534 L CB -0.808 41.273 42.059 0.036 0.000 0.955 534 L HN 0.138 nan 8.230 nan 0.000 0.460 535 M N -0.227 119.464 119.600 0.152 0.000 2.200 535 M HA 0.033 4.514 4.480 0.002 0.000 0.265 535 M C 1.700 178.247 176.300 0.412 0.000 1.066 535 M CA 0.979 56.402 55.300 0.204 0.000 1.127 535 M CB -1.728 30.861 32.600 -0.019 0.000 1.379 535 M HN 0.225 nan 8.290 nan 0.000 0.420 536 G N 1.642 110.693 108.800 0.417 0.000 3.375 536 G HA2 -0.053 3.909 3.960 0.002 0.000 0.247 536 G HA3 -0.053 3.909 3.960 0.002 0.000 0.247 536 G C 0.228 175.245 174.900 0.194 0.000 1.343 536 G CA -0.229 45.023 45.100 0.253 0.000 1.368 536 G HN 0.429 nan 8.290 nan 0.000 0.549 537 N N 0.537 119.388 118.700 0.253 0.000 2.400 537 N HA 0.224 4.965 4.740 0.002 0.000 0.288 537 N C -1.359 174.247 175.510 0.160 0.000 1.024 537 N CA -1.886 51.252 53.050 0.145 0.000 0.894 537 N CB 2.962 41.520 38.487 0.119 0.000 1.173 537 N HN -0.173 nan 8.380 nan 0.000 0.487 538 P HA -0.238 nan 4.420 nan 0.000 0.219 538 P C 1.479 178.578 177.300 -0.334 0.000 1.158 538 P CA 1.561 64.496 63.100 -0.276 0.000 0.895 538 P CB -0.165 31.231 31.700 -0.507 0.000 0.792 539 I N -2.954 117.568 120.570 -0.080 0.000 3.164 539 I HA -0.090 4.081 4.170 0.002 0.000 0.278 539 I C 1.371 177.800 176.117 0.520 0.000 1.320 539 I CA 1.291 62.773 61.300 0.303 0.000 1.422 539 I CB -1.118 37.213 38.000 0.552 0.000 1.066 539 I HN -0.148 nan 8.210 nan 0.000 0.503 540 C N 1.028 120.533 119.300 0.342 0.000 2.974 540 C HA 0.347 4.809 4.460 0.002 0.000 0.282 540 C C 1.405 176.561 174.990 0.277 0.000 1.292 540 C CA 0.057 59.262 59.018 0.312 0.000 1.710 540 C CB -1.894 26.041 27.740 0.326 0.000 2.036 540 C HN 0.675 nan 8.230 nan 0.000 0.629 541 S N 2.290 117.996 115.700 0.010 0.000 2.584 541 S HA 0.250 4.722 4.470 0.002 0.000 0.273 541 S C -1.135 173.482 174.600 0.028 0.000 1.311 541 S CA -0.716 57.197 58.200 -0.479 0.000 1.034 541 S CB 1.010 63.942 63.200 -0.446 0.000 0.939 541 S HN 0.211 nan 8.310 nan 0.000 0.513 542 P HA -0.235 nan 4.420 nan 0.000 0.217 542 P C 1.284 178.544 177.300 -0.066 0.000 1.148 542 P CA 1.428 64.319 63.100 -0.348 0.000 0.834 542 P CB 0.010 31.189 31.700 -0.868 0.000 0.783 543 Q N -1.415 118.375 119.800 -0.016 0.000 2.425 543 Q HA -0.084 4.258 4.340 0.002 0.000 0.204 543 Q C 1.279 177.292 176.000 0.022 0.000 0.933 543 Q CA 1.018 56.818 55.803 -0.005 0.000 0.939 543 Q CB -0.759 27.961 28.738 -0.030 0.000 1.044 543 Q HN 0.279 nan 8.270 nan 0.000 0.513 544 Y N -1.031 119.275 120.300 0.010 0.000 2.500 544 Y HA 0.156 4.707 4.550 0.002 0.000 0.284 544 Y C 0.832 176.779 175.900 0.078 0.000 1.118 544 Y CA -0.406 57.700 58.100 0.010 0.000 1.241 544 Y CB 0.139 38.656 38.460 0.094 0.000 1.171 544 Y HN 0.177 nan 8.280 nan 0.000 0.540 545 W N 5.406 126.866 121.300 0.267 0.000 1.872 545 W HA 0.189 4.850 4.660 0.002 0.000 0.503 545 W C -0.646 175.976 176.519 0.170 0.000 0.794 545 W CA 0.490 58.047 57.345 0.353 0.000 1.972 545 W CB -0.658 29.084 29.460 0.471 0.000 1.730 545 W HN 0.094 nan 8.180 nan 0.000 0.253 546 K N 3.165 123.298 120.400 -0.446 0.000 2.578 546 K HA 0.287 4.608 4.320 0.002 0.000 0.269 546 K C -2.582 173.477 176.600 -0.902 0.000 0.941 546 K CA -1.539 54.378 56.287 -0.618 0.000 0.847 546 K CB 1.298 33.634 32.500 -0.272 0.000 1.397 546 K HN -0.258 nan 8.250 nan 0.000 0.422 547 P HA -0.316 nan 4.420 nan 0.000 0.222 547 P C 0.857 177.978 177.300 -0.299 0.000 1.154 547 P CA 1.853 64.630 63.100 -0.539 0.000 0.874 547 P CB 0.144 31.727 31.700 -0.195 0.000 0.787 548 S N -1.447 114.076 115.700 -0.295 0.000 2.356 548 S HA -0.135 4.336 4.470 0.002 0.000 0.223 548 S C 1.858 176.288 174.600 -0.283 0.000 1.032 548 S CA 1.880 59.957 58.200 -0.205 0.000 1.005 548 S CB -1.426 61.663 63.200 -0.184 0.000 0.867 548 S HN 0.298 nan 8.310 nan 0.000 0.449 549 T N 1.449 115.654 114.554 -0.582 0.000 2.822 549 T HA -0.087 4.264 4.350 0.002 0.000 0.270 549 T C 0.714 174.987 174.700 -0.711 0.000 1.064 549 T CA 1.152 62.771 62.100 -0.801 0.000 1.131 549 T CB -0.375 67.747 68.868 -1.244 0.000 0.858 549 T HN 0.452 nan 8.240 nan 0.000 0.483 550 F N -0.065 119.874 119.950 -0.017 0.000 2.654 550 F HA 0.530 5.058 4.527 0.002 0.000 0.303 550 F C 1.619 177.527 175.800 0.179 0.000 1.099 550 F CA -0.706 57.349 58.000 0.093 0.000 1.270 550 F CB -0.088 38.961 39.000 0.081 0.000 1.024 550 F HN 0.174 nan 8.300 nan 0.000 0.548 551 G N -0.071 108.928 108.800 0.332 0.000 2.131 551 G HA2 0.225 4.186 3.960 0.002 0.000 0.223 551 G HA3 0.225 4.186 3.960 0.002 0.000 0.223 551 G C 0.488 175.565 174.900 0.295 0.000 0.990 551 G CA -0.059 45.302 45.100 0.435 0.000 0.671 551 G HN 1.205 nan 8.290 nan 0.000 0.521 552 G N -1.305 107.602 108.800 0.178 0.000 2.343 552 G HA2 0.361 4.322 3.960 0.002 0.000 0.465 552 G HA3 0.361 4.322 3.960 0.002 0.000 0.465 552 G C 0.062 175.022 174.900 0.101 0.000 1.282 552 G CA 0.528 45.686 45.100 0.098 0.000 0.996 552 G HN 0.733 nan 8.290 nan 0.000 0.521 553 E N -0.846 119.406 120.200 0.087 0.000 2.150 553 E HA 0.076 4.427 4.350 0.002 0.000 0.193 553 E C 2.694 179.389 176.600 0.159 0.000 0.985 553 E CA 1.611 58.102 56.400 0.150 0.000 0.814 553 E CB -0.126 29.636 29.700 0.103 0.000 0.752 553 E HN 0.527 nan 8.360 nan 0.000 0.466 554 V N 0.226 120.187 119.914 0.079 0.000 2.223 554 V HA -0.308 3.813 4.120 0.002 0.000 0.246 554 V C 2.276 178.427 176.094 0.094 0.000 1.045 554 V CA 2.227 64.557 62.300 0.049 0.000 1.004 554 V CB -1.287 30.522 31.823 -0.023 0.000 0.641 554 V HN 0.507 nan 8.190 nan 0.000 0.457 555 G N -1.721 107.147 108.800 0.114 0.000 2.537 555 G HA2 -0.286 3.675 3.960 0.002 0.000 0.220 555 G HA3 -0.286 3.675 3.960 0.002 0.000 0.220 555 G C 1.401 176.419 174.900 0.197 0.000 1.111 555 G CA 0.795 45.988 45.100 0.155 0.000 0.748 555 G HN 0.435 nan 8.290 nan 0.000 0.564 556 F N 0.954 120.911 119.950 0.011 0.000 2.219 556 F HA 0.260 4.788 4.527 0.002 0.000 0.294 556 F C 2.376 178.116 175.800 -0.099 0.000 1.086 556 F CA 0.734 58.672 58.000 -0.103 0.000 1.330 556 F CB -0.194 38.786 39.000 -0.034 0.000 1.047 556 F HN 0.020 nan 8.300 nan 0.000 0.495 557 K N 0.739 121.169 120.400 0.049 0.000 2.097 557 K HA -0.070 4.251 4.320 0.002 0.000 0.206 557 K C 2.123 178.708 176.600 -0.026 0.000 1.049 557 K CA 1.231 57.485 56.287 -0.054 0.000 0.933 557 K CB -0.522 31.976 32.500 -0.004 0.000 0.717 557 K HN 0.302 nan 8.250 nan 0.000 0.442 558 I N 0.320 120.902 120.570 0.020 0.000 2.248 558 I HA -0.320 3.851 4.170 0.002 0.000 0.248 558 I C 1.856 178.001 176.117 0.046 0.000 1.107 558 I CA 1.356 62.679 61.300 0.039 0.000 1.373 558 I CB -0.260 37.777 38.000 0.061 0.000 1.055 558 I HN 0.165 nan 8.210 nan 0.000 0.418 559 I N 0.470 121.047 120.570 0.011 0.000 2.500 559 I HA -0.196 3.976 4.170 0.002 0.000 0.252 559 I C 1.362 177.536 176.117 0.095 0.000 1.142 559 I CA 1.001 62.338 61.300 0.062 0.000 1.451 559 I CB -0.294 37.706 38.000 0.000 0.000 1.093 559 I HN 0.284 nan 8.210 nan 0.000 0.430 560 N N 0.274 118.954 118.700 -0.033 0.000 2.268 560 N HA 0.033 4.775 4.740 0.002 0.000 0.204 560 N C 0.995 176.513 175.510 0.014 0.000 1.124 560 N CA 0.744 53.786 53.050 -0.014 0.000 0.838 560 N CB 0.481 38.861 38.487 -0.178 0.000 0.994 560 N HN 0.393 nan 8.380 nan 0.000 0.489 561 T N -3.648 110.923 114.554 0.028 0.000 3.209 561 T HA 0.434 4.785 4.350 0.002 0.000 0.295 561 T C 0.468 175.193 174.700 0.041 0.000 0.977 561 T CA -0.507 61.609 62.100 0.027 0.000 0.922 561 T CB 0.317 69.191 68.868 0.009 0.000 1.152 561 T HN 0.054 nan 8.240 nan 0.000 0.527 562 A N 1.795 124.657 122.820 0.071 0.000 2.351 562 A HA 0.771 5.092 4.320 0.002 0.000 0.257 562 A C 0.494 178.113 177.584 0.059 0.000 1.087 562 A CA -0.099 51.985 52.037 0.079 0.000 0.798 562 A CB 0.258 19.342 19.000 0.140 0.000 1.033 562 A HN 1.317 nan 8.150 nan 0.000 0.488 563 S N 0.625 116.338 115.700 0.021 0.000 2.558 563 S HA 0.335 4.807 4.470 0.002 0.000 0.277 563 S C 0.232 174.773 174.600 -0.099 0.000 1.143 563 S CA -0.086 58.096 58.200 -0.030 0.000 0.865 563 S CB 0.380 63.551 63.200 -0.049 0.000 1.102 563 S HN 1.390 nan 8.310 nan 0.000 0.454 564 I N 1.387 121.838 120.570 -0.198 0.000 2.399 564 I HA -0.132 4.040 4.170 0.002 0.000 0.254 564 I C 2.262 178.189 176.117 -0.316 0.000 1.146 564 I CA 2.131 63.226 61.300 -0.341 0.000 1.412 564 I CB -0.441 37.053 38.000 -0.843 0.000 1.076 564 I HN 0.919 nan 8.210 nan 0.000 0.432 565 Q N 0.165 119.797 119.800 -0.280 0.000 1.994 565 Q HA -0.126 4.215 4.340 0.002 0.000 0.198 565 Q C 2.298 178.201 176.000 -0.161 0.000 0.976 565 Q CA 2.484 58.140 55.803 -0.245 0.000 0.828 565 Q CB -0.485 28.132 28.738 -0.201 0.000 0.894 565 Q HN 0.516 nan 8.270 nan 0.000 0.432 566 S N 0.699 116.331 115.700 -0.114 0.000 2.383 566 S HA -0.164 4.307 4.470 0.002 0.000 0.229 566 S C 1.720 176.261 174.600 -0.098 0.000 1.030 566 S CA 1.204 59.357 58.200 -0.078 0.000 1.002 566 S CB -0.569 62.605 63.200 -0.045 0.000 0.829 566 S HN 0.434 nan 8.310 nan 0.000 0.467 567 L N 1.320 122.465 121.223 -0.130 0.000 2.042 567 L HA -0.077 4.265 4.340 0.002 0.000 0.210 567 L C 1.856 178.616 176.870 -0.185 0.000 1.076 567 L CA 1.666 56.391 54.840 -0.191 0.000 0.749 567 L CB -0.589 41.302 42.059 -0.281 0.000 0.893 567 L HN 0.168 nan 8.230 nan 0.000 0.432 568 I N -1.457 119.015 120.570 -0.165 0.000 2.193 568 I HA -0.235 3.936 4.170 0.002 0.000 0.240 568 I C 2.711 178.761 176.117 -0.111 0.000 1.084 568 I CA 1.325 62.539 61.300 -0.143 0.000 1.365 568 I CB -0.918 36.994 38.000 -0.147 0.000 1.064 568 I HN 0.429 nan 8.210 nan 0.000 0.410 569 c N 1.016 119.558 118.600 -0.098 0.000 2.385 569 c HA -0.240 4.332 4.570 0.002 0.000 0.275 569 c C 2.848 176.900 174.090 -0.064 0.000 1.207 569 c CA 1.551 57.840 56.329 -0.066 0.000 1.760 569 c CB -1.282 41.196 42.510 -0.053 0.000 2.051 569 c HN 0.537 nan 8.230 nan 0.000 0.467 570 N N 0.803 119.460 118.700 -0.071 0.000 2.142 570 N HA -0.042 4.699 4.740 0.002 0.000 0.186 570 N C 1.122 176.586 175.510 -0.077 0.000 1.023 570 N CA 1.241 54.253 53.050 -0.064 0.000 0.852 570 N CB -0.534 37.919 38.487 -0.056 0.000 0.998 570 N HN 0.676 nan 8.380 nan 0.000 0.424 571 N N -0.020 118.620 118.700 -0.101 0.000 2.187 571 N HA 0.097 4.838 4.740 0.002 0.000 0.212 571 N C -0.607 174.828 175.510 -0.124 0.000 1.152 571 N CA 0.062 53.044 53.050 -0.114 0.000 0.872 571 N CB 1.859 40.269 38.487 -0.128 0.000 1.025 571 N HN -0.071 nan 8.380 nan 0.000 0.514 572 V N 1.440 121.289 119.914 -0.108 0.000 2.555 572 V HA 0.137 4.259 4.120 0.002 0.000 0.302 572 V C 1.162 177.211 176.094 -0.076 0.000 1.038 572 V CA -0.777 61.463 62.300 -0.100 0.000 0.887 572 V CB 2.353 34.121 31.823 -0.091 0.000 0.991 572 V HN -0.035 nan 8.190 nan 0.000 0.434 573 K N 4.333 124.690 120.400 -0.071 0.000 2.512 573 K HA -0.185 4.137 4.320 0.002 0.000 0.227 573 K C 0.949 177.528 176.600 -0.036 0.000 0.699 573 K CA 2.038 58.294 56.287 -0.053 0.000 0.890 573 K CB -1.066 31.412 32.500 -0.037 0.000 0.354 573 K HN 0.939 nan 8.250 nan 0.000 0.998 574 G N -1.202 107.587 108.800 -0.019 0.000 2.527 574 G HA2 0.173 4.135 3.960 0.002 0.000 0.248 574 G HA3 0.173 4.135 3.960 0.002 0.000 0.248 574 G C -0.551 174.343 174.900 -0.010 0.000 1.231 574 G CA -0.314 44.780 45.100 -0.010 0.000 0.838 574 G HN 0.674 nan 8.290 nan 0.000 0.570 575 c N 3.248 121.844 118.600 -0.006 0.000 2.663 575 c HA 0.180 4.751 4.570 0.002 0.000 0.379 575 c C -1.581 172.518 174.090 0.015 0.000 1.255 575 c CA -0.998 55.327 56.329 -0.007 0.000 1.503 575 c CB -1.192 41.317 42.510 -0.001 0.000 2.187 575 c HN 0.454 nan 8.230 nan 0.000 0.580 576 P HA 0.188 nan 4.420 nan 0.000 0.280 576 P C -0.184 177.144 177.300 0.047 0.000 1.244 576 P CA -0.405 62.720 63.100 0.041 0.000 0.784 576 P CB 0.414 32.125 31.700 0.019 0.000 0.913 577 F N 3.062 123.001 119.950 -0.019 0.000 2.496 577 F HA 0.398 4.926 4.527 0.002 0.000 0.344 577 F C -0.184 175.600 175.800 -0.027 0.000 1.155 577 F CA 1.054 59.039 58.000 -0.026 0.000 1.302 577 F CB 0.493 39.482 39.000 -0.018 0.000 1.159 577 F HN 0.261 nan 8.300 nan 0.000 0.595 578 T N 3.064 116.782 114.554 -1.395 0.000 2.792 578 T HA 0.551 4.902 4.350 0.002 0.000 0.303 578 T C -1.452 172.532 174.700 -1.193 0.000 1.310 578 T CA -0.766 60.715 62.100 -1.033 0.000 1.007 578 T CB 1.524 70.109 68.868 -0.472 0.000 1.335 578 T HN 0.790 nan 8.240 nan 0.000 0.504 579 S N -0.779 114.538 115.700 -0.638 0.000 2.595 579 S HA 0.565 5.036 4.470 0.002 0.000 0.270 579 S C -1.254 173.211 174.600 -0.225 0.000 1.145 579 S CA -0.527 57.418 58.200 -0.424 0.000 0.825 579 S CB 0.681 63.800 63.200 -0.135 0.000 1.107 579 S HN 0.462 nan 8.310 nan 0.000 0.461 580 F N 2.140 122.052 119.950 -0.064 0.000 2.765 580 F HA 0.426 4.954 4.527 0.002 0.000 0.302 580 F C 0.956 176.653 175.800 -0.173 0.000 1.111 580 F CA -0.261 57.679 58.000 -0.101 0.000 1.359 580 F CB -0.306 38.604 39.000 -0.149 0.000 1.097 580 F HN 0.551 nan 8.300 nan 0.000 0.577 581 N N -0.723 118.085 118.700 0.180 0.000 2.361 581 N HA 0.147 4.888 4.740 0.002 0.000 0.302 581 N C 0.115 175.724 175.510 0.166 0.000 1.074 581 N CA -0.253 52.939 53.050 0.237 0.000 0.850 581 N CB 1.822 40.476 38.487 0.279 0.000 1.228 581 N HN -0.162 nan 8.380 nan 0.000 0.491 582 V N 2.867 122.858 119.914 0.129 0.000 3.515 582 V HA 0.045 4.166 4.120 0.002 0.000 0.298 582 V C -0.259 175.904 176.094 0.114 0.000 1.206 582 V CA 0.870 63.237 62.300 0.111 0.000 1.253 582 V CB -2.363 29.502 31.823 0.070 0.000 1.035 582 V HN 0.904 nan 8.190 nan 0.000 0.428 583 Q N 0.000 119.889 119.800 0.149 0.000 2.315 583 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 583 Q CA 0.000 55.878 55.803 0.125 0.000 1.022 583 Q CB 0.000 28.790 28.738 0.087 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481