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 1pxx_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 TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.633 177.584 0.082 0.000 1.274 33 A CA 0.000 52.076 52.037 0.066 0.000 0.836 33 A CB 0.000 19.046 19.000 0.076 0.000 0.831 34 N N -0.886 117.821 118.700 0.012 0.000 0.000 34 N HA 0.583 5.331 4.740 0.012 0.000 0.000 34 N C -2.655 172.885 175.510 0.050 0.000 0.000 34 N CA -0.809 52.278 53.050 0.062 0.000 0.000 34 N CB 0.409 38.920 38.487 0.041 0.000 0.000 34 N HN 0.267 nan 8.380 nan 0.000 0.000 35 P HA 0.054 nan 4.420 nan 0.000 0.234 35 P C 0.049 177.342 177.300 -0.011 0.000 1.167 35 P CA 1.075 64.228 63.100 0.088 0.000 0.763 35 P CB 0.024 31.834 31.700 0.183 0.000 0.835 36 c N -1.646 116.936 118.600 -0.031 0.000 2.754 36 c HA 0.174 4.751 4.570 0.012 0.000 0.276 36 c C 2.614 176.634 174.090 -0.118 0.000 1.264 36 c CA -0.215 56.040 56.329 -0.124 0.000 1.700 36 c CB -2.215 40.263 42.510 -0.053 0.000 1.885 36 c HN 0.328 nan 8.230 nan 0.000 0.607 37 c N 1.207 119.763 118.600 -0.073 0.000 2.419 37 c HA -0.082 4.495 4.570 0.012 0.000 0.281 37 c C 2.801 176.843 174.090 -0.079 0.000 1.336 37 c CA 2.057 58.353 56.329 -0.056 0.000 1.770 37 c CB -1.160 41.338 42.510 -0.020 0.000 1.929 37 c HN 0.793 nan 8.230 nan 0.000 0.509 38 S N 0.262 115.893 115.700 -0.114 0.000 2.605 38 S HA 0.047 4.525 4.470 0.012 0.000 0.217 38 S C 0.282 174.791 174.600 -0.151 0.000 0.958 38 S CA 0.058 58.188 58.200 -0.116 0.000 0.919 38 S CB -0.732 62.403 63.200 -0.109 0.000 0.780 38 S HN 0.713 nan 8.310 nan 0.000 0.507 39 N N 1.471 120.063 118.700 -0.179 0.000 2.696 39 N HA -0.098 4.649 4.740 0.012 0.000 0.256 39 N C -2.259 173.129 175.510 -0.202 0.000 1.031 39 N CA 0.882 53.821 53.050 -0.185 0.000 0.730 39 N CB -1.316 37.078 38.487 -0.156 0.000 0.894 39 N HN 0.453 nan 8.380 nan 0.000 0.544 40 P HA -0.015 nan 4.420 nan 0.000 0.215 40 P C 0.388 177.596 177.300 -0.152 0.000 1.157 40 P CA 0.739 63.673 63.100 -0.276 0.000 0.859 40 P CB 0.153 31.474 31.700 -0.631 0.000 0.786 41 c N 2.524 121.044 118.600 -0.133 0.000 2.648 41 c HA 0.177 4.754 4.570 0.012 0.000 0.406 41 c C 0.812 174.837 174.090 -0.107 0.000 1.406 41 c CA -0.580 55.709 56.329 -0.065 0.000 1.610 41 c CB -1.659 40.836 42.510 -0.026 0.000 2.451 41 c HN 0.265 nan 8.230 nan 0.000 0.608 42 Q N 1.831 121.557 119.800 -0.125 0.000 2.169 42 Q HA 0.290 4.638 4.340 0.012 0.000 0.234 42 Q C 0.596 176.448 176.000 -0.248 0.000 0.980 42 Q CA -0.393 55.294 55.803 -0.192 0.000 0.941 42 Q CB 0.369 28.974 28.738 -0.221 0.000 1.199 42 Q HN 0.746 nan 8.270 nan 0.000 0.496 43 N N 1.349 119.855 118.700 -0.322 0.000 2.727 43 N HA -0.232 4.515 4.740 0.012 0.000 0.249 43 N C -0.646 174.769 175.510 -0.159 0.000 1.048 43 N CA 0.830 53.673 53.050 -0.345 0.000 0.714 43 N CB -0.377 37.647 38.487 -0.771 0.000 0.959 43 N HN 0.612 nan 8.380 nan 0.000 0.544 44 R N -4.049 116.375 120.500 -0.126 0.000 3.936 44 R HA -0.141 4.207 4.340 0.012 0.000 0.366 44 R C 0.889 177.173 176.300 -0.027 0.000 1.158 44 R CA 1.185 57.243 56.100 -0.071 0.000 0.969 44 R CB -2.221 28.054 30.300 -0.043 0.000 1.504 44 R HN 0.469 nan 8.270 nan 0.000 0.538 45 G N 1.094 109.872 108.800 -0.036 0.000 2.569 45 G HA2 0.302 4.269 3.960 0.012 0.000 0.249 45 G HA3 0.302 4.269 3.960 0.012 0.000 0.249 45 G C 0.083 174.991 174.900 0.014 0.000 1.216 45 G CA -0.431 44.673 45.100 0.007 0.000 0.845 45 G HN 0.158 nan 8.290 nan 0.000 0.568 46 E N -0.108 120.119 120.200 0.046 0.000 2.156 46 E HA 0.238 4.596 4.350 0.012 0.000 0.279 46 E C -0.819 175.821 176.600 0.067 0.000 0.965 46 E CA -0.577 55.860 56.400 0.062 0.000 0.789 46 E CB 1.909 31.663 29.700 0.091 0.000 1.098 46 E HN 0.301 nan 8.360 nan 0.000 0.397 47 c N 4.918 123.546 118.600 0.048 0.000 2.369 47 c HA 0.512 5.090 4.570 0.012 0.000 0.358 47 c C -0.008 174.132 174.090 0.083 0.000 1.274 47 c CA -0.335 56.034 56.329 0.067 0.000 1.935 47 c CB -0.534 41.964 42.510 -0.020 0.000 2.431 47 c HN 0.781 nan 8.230 nan 0.000 0.545 48 M N 6.053 125.718 119.600 0.110 0.000 2.263 48 M HA 0.387 4.875 4.480 0.012 0.000 0.295 48 M C -0.049 176.304 176.300 0.088 0.000 1.028 48 M CA -0.080 55.269 55.300 0.081 0.000 0.921 48 M CB 1.960 34.597 32.600 0.061 0.000 1.601 48 M HN 0.763 nan 8.290 nan 0.000 0.440 49 S N 2.758 118.493 115.700 0.059 0.000 2.510 49 S HA 0.258 4.735 4.470 0.012 0.000 0.279 49 S C 0.344 174.947 174.600 0.005 0.000 1.284 49 S CA -0.056 58.176 58.200 0.054 0.000 1.059 49 S CB 0.187 63.401 63.200 0.023 0.000 0.901 49 S HN 0.738 nan 8.310 nan 0.000 0.491 50 T N 0.015 114.574 114.554 0.007 0.000 3.326 50 T HA 0.640 4.997 4.350 0.012 0.000 0.274 50 T C 0.518 175.190 174.700 -0.046 0.000 1.608 50 T CA -0.079 62.002 62.100 -0.032 0.000 1.433 50 T CB -0.770 68.077 68.868 -0.035 0.000 1.034 50 T HN 1.844 nan 8.240 nan 0.000 0.694 51 G N 0.818 109.566 108.800 -0.086 0.000 2.484 51 G HA2 0.017 3.984 3.960 0.012 0.000 0.685 51 G HA3 0.017 3.984 3.960 0.012 0.000 0.685 51 G C -0.116 174.743 174.900 -0.068 0.000 1.294 51 G CA -0.755 44.284 45.100 -0.101 0.000 0.879 51 G HN 0.206 nan 8.290 nan 0.000 0.646 52 F N -0.116 119.845 119.950 0.018 0.000 2.184 52 F HA -0.062 4.472 4.527 0.012 0.000 0.301 52 F C 2.050 177.870 175.800 0.032 0.000 1.076 52 F CA 2.079 60.093 58.000 0.022 0.000 1.295 52 F CB 0.287 39.297 39.000 0.017 0.000 1.026 52 F HN 0.400 nan 8.300 nan 0.000 0.494 53 D N -1.081 119.444 120.400 0.209 0.000 2.599 53 D HA 0.150 4.797 4.640 0.012 0.000 0.249 53 D C -0.282 176.089 176.300 0.118 0.000 1.313 53 D CA 0.212 54.301 54.000 0.148 0.000 0.815 53 D CB 0.570 41.442 40.800 0.119 0.000 1.077 53 D HN 0.273 nan 8.370 nan 0.000 0.492 54 Q N 0.044 119.904 119.800 0.099 0.000 2.451 54 Q HA 0.544 4.891 4.340 0.012 0.000 0.281 54 Q C -1.019 175.038 176.000 0.096 0.000 1.099 54 Q CA -0.958 54.878 55.803 0.054 0.000 0.806 54 Q CB 2.406 31.131 28.738 -0.022 0.000 1.419 54 Q HN 0.174 nan 8.270 nan 0.000 0.427 55 Y N -1.695 118.609 120.300 0.007 0.000 2.644 55 Y HA 0.869 5.427 4.550 0.012 0.000 0.338 55 Y C -1.422 174.480 175.900 0.003 0.000 1.119 55 Y CA -1.246 56.855 58.100 0.002 0.000 1.060 55 Y CB 1.679 40.141 38.460 0.003 0.000 1.294 55 Y HN 0.615 nan 8.280 nan 0.000 0.472 56 K N 0.782 121.248 120.400 0.110 0.000 2.508 56 K HA 0.803 5.130 4.320 0.012 0.000 0.260 56 K C -2.267 174.444 176.600 0.186 0.000 0.949 56 K CA -0.437 55.867 56.287 0.028 0.000 0.834 56 K CB 2.094 34.588 32.500 -0.009 0.000 1.365 56 K HN 0.937 nan 8.250 nan 0.000 0.437 57 c N 2.265 120.949 118.600 0.140 0.000 2.319 57 c HA 0.402 4.979 4.570 0.012 0.000 0.323 57 c C -1.043 173.101 174.090 0.089 0.000 1.277 57 c CA -0.821 55.588 56.329 0.134 0.000 1.517 57 c CB 0.767 43.365 42.510 0.148 0.000 2.206 57 c HN 0.810 nan 8.230 nan 0.000 0.486 58 D N 1.766 122.213 120.400 0.078 0.000 2.374 58 D HA 0.168 4.815 4.640 0.012 0.000 0.240 58 D C 0.498 176.841 176.300 0.072 0.000 1.229 58 D CA -0.156 53.884 54.000 0.067 0.000 0.895 58 D CB 0.642 41.478 40.800 0.060 0.000 1.046 58 D HN 0.665 nan 8.370 nan 0.000 0.498 59 c N 2.815 121.467 118.600 0.085 0.000 2.673 59 c HA 0.109 4.686 4.570 0.012 0.000 0.274 59 c C 0.901 175.052 174.090 0.102 0.000 1.276 59 c CA -0.331 56.062 56.329 0.108 0.000 1.701 59 c CB -1.520 41.081 42.510 0.152 0.000 1.836 59 c HN 0.538 nan 8.230 nan 0.000 0.596 60 T N 1.758 116.357 114.554 0.074 0.000 2.765 60 T HA -0.041 4.316 4.350 0.012 0.000 0.275 60 T C 0.931 175.668 174.700 0.061 0.000 1.007 60 T CA 0.750 62.886 62.100 0.059 0.000 1.175 60 T CB -0.113 68.780 68.868 0.042 0.000 0.993 60 T HN 0.621 nan 8.240 nan 0.000 0.510 61 R N 0.570 121.105 120.500 0.057 0.000 3.627 61 R HA -0.231 4.116 4.340 0.012 0.000 0.281 61 R C 1.580 177.926 176.300 0.077 0.000 1.140 61 R CA 1.153 57.285 56.100 0.053 0.000 0.761 61 R CB -1.917 28.404 30.300 0.035 0.000 1.181 61 R HN 0.950 nan 8.270 nan 0.000 0.472 62 T N -6.255 108.371 114.554 0.120 0.000 3.034 62 T HA 0.302 4.660 4.350 0.012 0.000 0.248 62 T C 1.478 176.340 174.700 0.271 0.000 1.040 62 T CA 0.898 63.106 62.100 0.179 0.000 1.107 62 T CB 0.990 69.974 68.868 0.192 0.000 0.932 62 T HN 0.614 nan 8.240 nan 0.000 0.474 63 G N 0.677 109.596 108.800 0.198 0.000 2.201 63 G HA2 -0.065 3.903 3.960 0.012 0.000 0.212 63 G HA3 -0.065 3.903 3.960 0.012 0.000 0.212 63 G C -0.194 174.625 174.900 -0.135 0.000 0.994 63 G CA -0.210 44.905 45.100 0.025 0.000 0.644 63 G HN 0.525 nan 8.290 nan 0.000 0.508 64 F N 0.079 120.086 119.950 0.094 0.000 2.611 64 F HA 0.831 5.365 4.527 0.012 0.000 0.324 64 F C 0.169 176.073 175.800 0.174 0.000 1.061 64 F CA -1.565 56.480 58.000 0.075 0.000 0.954 64 F CB 1.430 40.413 39.000 -0.029 0.000 1.301 64 F HN 0.258 nan 8.300 nan 0.000 0.482 65 Y N -1.200 119.219 120.300 0.199 0.000 2.609 65 Y HA 0.940 5.498 4.550 0.013 0.000 0.342 65 Y C -0.200 175.767 175.900 0.113 0.000 1.058 65 Y CA -1.952 56.220 58.100 0.120 0.000 1.055 65 Y CB 1.909 40.411 38.460 0.070 0.000 1.292 65 Y HN 0.986 nan 8.280 nan 0.000 0.476 66 G N 0.660 109.570 108.800 0.184 0.000 2.402 66 G HA2 -0.100 3.867 3.960 0.012 0.000 0.666 66 G HA3 -0.100 3.867 3.960 0.012 0.000 0.666 66 G C -0.086 174.862 174.900 0.079 0.000 1.402 66 G CA -0.357 44.793 45.100 0.082 0.000 0.920 66 G HN 1.043 nan 8.290 nan 0.000 0.651 67 E N -0.255 119.982 120.200 0.060 0.000 2.253 67 E HA -0.221 4.136 4.350 0.012 0.000 0.202 67 E C 1.052 177.722 176.600 0.117 0.000 1.014 67 E CA 1.698 58.131 56.400 0.055 0.000 0.823 67 E CB -0.020 29.697 29.700 0.028 0.000 0.736 67 E HN 0.390 nan 8.360 nan 0.000 0.478 68 N N -1.150 117.604 118.700 0.090 0.000 2.305 68 N HA 0.079 4.827 4.740 0.012 0.000 0.248 68 N C -0.537 174.980 175.510 0.011 0.000 1.290 68 N CA 0.314 53.409 53.050 0.075 0.000 0.873 68 N CB 0.533 39.052 38.487 0.053 0.000 1.261 68 N HN 0.089 nan 8.380 nan 0.000 0.504 69 c N 0.801 119.424 118.600 0.038 0.000 4.274 69 c HA -0.148 4.430 4.570 0.012 0.000 0.297 69 c C 2.016 176.091 174.090 -0.025 0.000 1.446 69 c CA 1.385 57.743 56.329 0.047 0.000 2.016 69 c CB -3.073 39.453 42.510 0.026 0.000 1.273 69 c HN 0.580 nan 8.230 nan 0.000 0.782 70 T N -4.102 110.436 114.554 -0.027 0.000 3.051 70 T HA 0.067 4.424 4.350 0.012 0.000 0.255 70 T C 0.551 175.340 174.700 0.148 0.000 1.085 70 T CA 0.988 63.069 62.100 -0.033 0.000 1.109 70 T CB -0.088 68.749 68.868 -0.052 0.000 0.921 70 T HN 0.600 nan 8.240 nan 0.000 0.488 71 T N 5.657 120.184 114.554 -0.045 0.000 2.750 71 T HA 0.280 4.637 4.350 0.012 0.000 0.286 71 T C -2.466 172.032 174.700 -0.335 0.000 0.911 71 T CA -1.074 60.846 62.100 -0.299 0.000 1.130 71 T CB 0.664 69.058 68.868 -0.790 0.000 0.873 71 T HN 0.277 nan 8.240 nan 0.000 0.536 72 P HA 0.227 nan 4.420 nan 0.000 0.274 72 P C -0.035 177.156 177.300 -0.180 0.000 1.231 72 P CA -0.407 62.375 63.100 -0.530 0.000 0.790 72 P CB 1.133 32.562 31.700 -0.452 0.000 0.951 73 E N 0.460 120.590 120.200 -0.117 0.000 2.322 73 E HA 0.120 4.477 4.350 0.012 0.000 0.257 73 E C 0.819 177.451 176.600 0.053 0.000 1.155 73 E CA -0.553 55.940 56.400 0.155 0.000 0.936 73 E CB 0.180 29.933 29.700 0.089 0.000 1.130 73 E HN 0.328 nan 8.360 nan 0.000 0.465 74 F N 1.405 121.349 119.950 -0.010 0.000 2.000 74 F HA -0.266 4.269 4.527 0.012 0.000 0.296 74 F C 1.995 177.763 175.800 -0.055 0.000 1.159 74 F CA 1.778 59.761 58.000 -0.029 0.000 1.183 74 F CB -0.633 38.354 39.000 -0.021 0.000 0.959 74 F HN 0.470 nan 8.300 nan 0.000 0.490 75 L N 0.436 121.567 121.223 -0.153 0.000 2.103 75 L HA -0.270 4.077 4.340 0.012 0.000 0.215 75 L C 2.160 178.861 176.870 -0.281 0.000 1.080 75 L CA 2.717 57.405 54.840 -0.254 0.000 0.764 75 L CB -1.454 40.572 42.059 -0.054 0.000 0.890 75 L HN 0.374 nan 8.230 nan 0.000 0.435 76 T N -0.070 114.339 114.554 -0.243 0.000 2.652 76 T HA -0.232 4.125 4.350 0.012 0.000 0.267 76 T C 1.851 176.389 174.700 -0.269 0.000 1.039 76 T CA 2.091 64.021 62.100 -0.284 0.000 1.153 76 T CB -0.278 68.303 68.868 -0.479 0.000 0.863 76 T HN 0.481 nan 8.240 nan 0.000 0.428 77 R N 0.350 120.676 120.500 -0.289 0.000 2.120 77 R HA 0.029 4.377 4.340 0.012 0.000 0.234 77 R C 2.242 178.396 176.300 -0.244 0.000 1.123 77 R CA 1.020 56.982 56.100 -0.230 0.000 0.975 77 R CB -0.552 29.631 30.300 -0.196 0.000 0.866 77 R HN 0.333 nan 8.270 nan 0.000 0.446 78 I N 1.266 121.618 120.570 -0.364 0.000 2.202 78 I HA -0.214 3.963 4.170 0.012 0.000 0.242 78 I C 2.145 178.154 176.117 -0.179 0.000 1.091 78 I CA 1.527 62.645 61.300 -0.303 0.000 1.368 78 I CB -0.125 37.641 38.000 -0.390 0.000 1.058 78 I HN -0.006 nan 8.210 nan 0.000 0.410 79 K N 0.233 120.531 120.400 -0.170 0.000 2.063 79 K HA -0.154 4.174 4.320 0.012 0.000 0.208 79 K C 2.066 178.623 176.600 -0.072 0.000 1.048 79 K CA 1.383 57.606 56.287 -0.107 0.000 0.928 79 K CB -0.312 32.125 32.500 -0.105 0.000 0.713 79 K HN 0.238 nan 8.250 nan 0.000 0.442 80 L N 0.389 121.568 121.223 -0.073 0.000 1.971 80 L HA -0.263 4.085 4.340 0.012 0.000 0.215 80 L C 2.222 179.077 176.870 -0.026 0.000 1.072 80 L CA 0.996 55.820 54.840 -0.027 0.000 0.758 80 L CB -0.621 41.428 42.059 -0.016 0.000 0.889 80 L HN 0.150 nan 8.230 nan 0.000 0.433 81 L N -0.565 120.630 121.223 -0.048 0.000 2.051 81 L HA -0.228 4.120 4.340 0.012 0.000 0.214 81 L C 1.791 178.643 176.870 -0.031 0.000 1.076 81 L CA 1.633 56.450 54.840 -0.039 0.000 0.758 81 L CB -0.846 41.180 42.059 -0.055 0.000 0.890 81 L HN 0.216 nan 8.230 nan 0.000 0.433 82 L N -0.738 120.461 121.223 -0.040 0.000 2.688 82 L HA 0.159 4.506 4.340 0.012 0.000 0.234 82 L C 0.697 177.557 176.870 -0.016 0.000 1.192 82 L CA 0.221 55.042 54.840 -0.032 0.000 0.984 82 L CB -1.175 40.858 42.059 -0.044 0.000 1.232 82 L HN 0.113 nan 8.230 nan 0.000 0.465 83 K N 2.450 122.849 120.400 -0.001 0.000 2.425 83 K HA 0.402 4.729 4.320 0.012 0.000 0.259 83 K C -2.505 174.117 176.600 0.037 0.000 0.978 83 K CA -1.460 54.841 56.287 0.023 0.000 0.883 83 K CB 1.850 34.371 32.500 0.035 0.000 1.110 83 K HN -0.069 nan 8.250 nan 0.000 0.436 84 P HA 0.021 nan 4.420 nan 0.000 0.276 84 P C -0.056 177.292 177.300 0.081 0.000 1.230 84 P CA -0.188 62.946 63.100 0.056 0.000 0.776 84 P CB 0.765 32.498 31.700 0.055 0.000 0.888 85 T N 0.934 115.534 114.554 0.078 0.000 2.855 85 T HA 0.087 4.445 4.350 0.012 0.000 0.314 85 T C -1.598 173.173 174.700 0.120 0.000 1.077 85 T CA -0.966 61.187 62.100 0.088 0.000 1.095 85 T CB -0.181 68.732 68.868 0.074 0.000 0.987 85 T HN 0.174 nan 8.240 nan 0.000 0.546 86 P HA -0.089 nan 4.420 nan 0.000 0.216 86 P C 1.368 178.784 177.300 0.194 0.000 1.150 86 P CA 1.118 64.302 63.100 0.141 0.000 0.843 86 P CB -0.034 31.730 31.700 0.107 0.000 0.787 87 N N -1.568 117.244 118.700 0.187 0.000 2.396 87 N HA -0.049 4.698 4.740 0.012 0.000 0.180 87 N C 1.450 177.113 175.510 0.256 0.000 1.028 87 N CA 1.211 54.405 53.050 0.240 0.000 0.893 87 N CB -0.562 38.031 38.487 0.176 0.000 0.967 87 N HN 0.213 nan 8.380 nan 0.000 0.440 88 T N 1.476 116.149 114.554 0.198 0.000 2.668 88 T HA -0.043 4.314 4.350 0.012 0.000 0.258 88 T C 2.365 177.234 174.700 0.282 0.000 1.051 88 T CA 0.870 63.088 62.100 0.198 0.000 1.155 88 T CB -0.402 68.543 68.868 0.128 0.000 0.864 88 T HN -0.077 nan 8.240 nan 0.000 0.413 89 V N 1.733 121.787 119.914 0.234 0.000 2.252 89 V HA -0.272 3.855 4.120 0.012 0.000 0.249 89 V C 2.410 178.674 176.094 0.282 0.000 1.056 89 V CA 2.216 64.652 62.300 0.226 0.000 1.022 89 V CB -0.907 31.035 31.823 0.197 0.000 0.641 89 V HN 0.539 nan 8.190 nan 0.000 0.445 90 H N -0.502 118.682 119.070 0.190 0.000 2.289 90 H HA -0.281 4.282 4.556 0.012 0.000 0.294 90 H C 2.157 177.633 175.328 0.246 0.000 1.095 90 H CA 2.567 58.739 56.048 0.207 0.000 1.256 90 H CB -0.760 29.140 29.762 0.230 0.000 1.359 90 H HN 0.536 nan 8.280 nan 0.000 0.487 91 Y N 0.293 120.727 120.300 0.223 0.000 2.114 91 Y HA -0.223 4.335 4.550 0.013 0.000 0.282 91 Y C 2.630 178.829 175.900 0.498 0.000 1.165 91 Y CA 2.126 60.393 58.100 0.277 0.000 1.148 91 Y CB -0.628 37.964 38.460 0.219 0.000 0.972 91 Y HN 0.218 nan 8.280 nan 0.000 0.504 92 I N -0.647 120.269 120.570 0.577 0.000 2.264 92 I HA -0.311 3.867 4.170 0.012 0.000 0.248 92 I C 1.985 178.518 176.117 0.694 0.000 1.111 92 I CA 0.783 62.484 61.300 0.668 0.000 1.382 92 I CB -0.434 37.804 38.000 0.397 0.000 1.060 92 I HN 0.258 nan 8.210 nan 0.000 0.418 93 L N 0.080 121.500 121.223 0.330 0.000 2.217 93 L HA -0.073 4.274 4.340 0.012 0.000 0.211 93 L C 2.334 179.159 176.870 -0.076 0.000 1.107 93 L CA 2.002 56.817 54.840 -0.041 0.000 0.783 93 L CB -1.508 40.190 42.059 -0.601 0.000 0.919 93 L HN 0.433 nan 8.230 nan 0.000 0.442 94 T N -4.579 109.949 114.554 -0.042 0.000 3.105 94 T HA 0.172 4.530 4.350 0.012 0.000 0.253 94 T C 0.695 175.120 174.700 -0.458 0.000 1.047 94 T CA -0.232 61.631 62.100 -0.394 0.000 0.944 94 T CB -0.001 68.580 68.868 -0.478 0.000 1.016 94 T HN 0.158 nan 8.240 nan 0.000 0.544 95 H N -0.266 118.925 119.070 0.202 0.000 2.949 95 H HA 0.404 4.968 4.556 0.012 0.000 0.310 95 H C -0.278 175.233 175.328 0.305 0.000 1.405 95 H CA -1.438 54.579 56.048 -0.052 0.000 1.253 95 H CB 0.757 29.929 29.762 -0.982 0.000 1.932 95 H HN 0.140 nan 8.280 nan 0.000 0.602 96 F N -0.468 119.621 119.950 0.231 0.000 3.039 96 F HA -0.217 4.317 4.527 0.012 0.000 0.287 96 F C 1.625 177.454 175.800 0.049 0.000 0.956 96 F CA 0.746 58.783 58.000 0.061 0.000 0.971 96 F CB -1.424 37.537 39.000 -0.066 0.000 0.943 96 F HN 0.475 nan 8.300 nan 0.000 0.766 97 K N 1.009 121.427 120.400 0.029 0.000 2.442 97 K HA -0.071 4.256 4.320 0.012 0.000 0.199 97 K C 2.054 178.649 176.600 -0.008 0.000 1.044 97 K CA 1.558 57.724 56.287 -0.202 0.000 0.941 97 K CB -0.385 31.756 32.500 -0.600 0.000 0.759 97 K HN 0.600 nan 8.250 nan 0.000 0.472 98 G N -0.127 108.683 108.800 0.017 0.000 2.408 98 G HA2 -0.120 3.847 3.960 0.012 0.000 0.213 98 G HA3 -0.120 3.847 3.960 0.012 0.000 0.213 98 G C 1.386 176.290 174.900 0.007 0.000 1.177 98 G CA 0.427 45.537 45.100 0.015 0.000 0.802 98 G HN 0.155 nan 8.290 nan 0.000 0.533 99 V N 0.147 120.031 119.914 -0.051 0.000 2.231 99 V HA -0.238 3.889 4.120 0.012 0.000 0.248 99 V C 2.444 178.438 176.094 -0.166 0.000 1.054 99 V CA 2.029 64.209 62.300 -0.199 0.000 1.015 99 V CB -0.818 30.737 31.823 -0.445 0.000 0.638 99 V HN 0.597 nan 8.190 nan 0.000 0.444 100 W N 0.168 121.523 121.300 0.092 0.000 2.313 100 W HA -0.247 4.420 4.660 0.012 0.000 0.293 100 W C 2.414 178.991 176.519 0.096 0.000 1.216 100 W CA 1.528 58.950 57.345 0.129 0.000 1.223 100 W CB -0.476 29.099 29.460 0.191 0.000 1.138 100 W HN 0.309 nan 8.180 nan 0.000 0.535 101 N N -0.008 118.837 118.700 0.241 0.000 2.244 101 N HA -0.117 4.631 4.740 0.012 0.000 0.183 101 N C 1.537 177.115 175.510 0.114 0.000 1.016 101 N CA 1.171 54.314 53.050 0.154 0.000 0.866 101 N CB -0.136 38.403 38.487 0.087 0.000 0.980 101 N HN 0.056 nan 8.380 nan 0.000 0.430 102 I N -0.450 120.166 120.570 0.076 0.000 2.188 102 I HA -0.197 3.980 4.170 0.012 0.000 0.237 102 I C 1.963 178.117 176.117 0.062 0.000 1.073 102 I CA 0.629 61.954 61.300 0.042 0.000 1.359 102 I CB -0.546 37.449 38.000 -0.009 0.000 1.083 102 I HN -0.043 nan 8.210 nan 0.000 0.412 103 V N 1.206 121.159 119.914 0.064 0.000 2.250 103 V HA -0.342 3.786 4.120 0.012 0.000 0.253 103 V C 1.520 177.722 176.094 0.180 0.000 1.065 103 V CA 1.956 64.316 62.300 0.101 0.000 1.039 103 V CB -1.052 30.894 31.823 0.204 0.000 0.647 103 V HN 0.466 nan 8.190 nan 0.000 0.446 104 N N 0.166 119.024 118.700 0.263 0.000 2.719 104 N HA -0.024 4.723 4.740 0.012 0.000 0.207 104 N C 0.185 175.763 175.510 0.112 0.000 1.551 104 N CA 0.276 53.448 53.050 0.203 0.000 0.914 104 N CB -1.268 37.334 38.487 0.192 0.000 1.215 104 N HN 0.531 nan 8.380 nan 0.000 0.480 105 I N -0.072 120.526 120.570 0.046 0.000 3.642 105 I HA -0.328 3.850 4.170 0.012 0.000 0.126 105 I C -1.155 174.969 176.117 0.011 0.000 1.001 105 I CA -0.555 60.758 61.300 0.021 0.000 2.743 105 I CB -0.240 37.719 38.000 -0.069 0.000 1.244 105 I HN 0.145 nan 8.210 nan 0.000 0.343 106 P HA -0.309 nan 4.420 nan 0.000 0.222 106 P C 1.488 178.866 177.300 0.130 0.000 1.147 106 P CA 2.393 65.561 63.100 0.113 0.000 0.958 106 P CB -0.094 31.690 31.700 0.140 0.000 0.788 107 F N -1.073 118.924 119.950 0.078 0.000 2.171 107 F HA -0.109 4.426 4.527 0.012 0.000 0.300 107 F C 2.131 177.986 175.800 0.092 0.000 1.090 107 F CA 1.165 59.211 58.000 0.077 0.000 1.293 107 F CB -1.363 37.673 39.000 0.060 0.000 1.013 107 F HN -0.183 nan 8.300 nan 0.000 0.486 108 L N 0.428 121.037 121.223 -1.024 0.000 2.017 108 L HA -0.168 4.180 4.340 0.012 0.000 0.208 108 L C 2.980 179.730 176.870 -0.200 0.000 1.073 108 L CA 1.729 56.072 54.840 -0.828 0.000 0.745 108 L CB -0.497 41.183 42.059 -0.632 0.000 0.894 108 L HN 0.246 nan 8.230 nan 0.000 0.432 109 R N -0.710 119.789 120.500 -0.002 0.000 2.083 109 R HA -0.181 4.167 4.340 0.012 0.000 0.237 109 R C 2.357 178.816 176.300 0.266 0.000 1.137 109 R CA 1.981 58.249 56.100 0.280 0.000 0.951 109 R CB -0.249 30.189 30.300 0.229 0.000 0.851 109 R HN 0.184 nan 8.270 nan 0.000 0.434 110 S N 0.993 116.784 115.700 0.151 0.000 2.359 110 S HA -0.168 4.310 4.470 0.012 0.000 0.224 110 S C 1.834 176.519 174.600 0.142 0.000 1.035 110 S CA 1.414 59.705 58.200 0.152 0.000 1.018 110 S CB -0.363 62.925 63.200 0.147 0.000 0.876 110 S HN 0.355 nan 8.310 nan 0.000 0.448 111 L N 1.409 122.694 121.223 0.103 0.000 1.997 111 L HA -0.199 4.149 4.340 0.012 0.000 0.216 111 L C 2.114 179.035 176.870 0.086 0.000 1.074 111 L CA 1.517 56.414 54.840 0.095 0.000 0.763 111 L CB -0.465 41.618 42.059 0.040 0.000 0.890 111 L HN 0.351 nan 8.230 nan 0.000 0.434 112 I N -0.990 119.598 120.570 0.031 0.000 2.090 112 I HA -0.371 3.806 4.170 0.012 0.000 0.236 112 I C 2.593 178.751 176.117 0.069 0.000 1.064 112 I CA 1.580 62.844 61.300 -0.060 0.000 1.324 112 I CB -0.780 36.921 38.000 -0.497 0.000 1.044 112 I HN 0.398 nan 8.210 nan 0.000 0.399 113 M N 1.247 120.975 119.600 0.213 0.000 2.195 113 M HA -0.252 4.235 4.480 0.012 0.000 0.260 113 M C 2.217 178.607 176.300 0.150 0.000 1.066 113 M CA 1.845 57.336 55.300 0.317 0.000 1.089 113 M CB -0.525 32.311 32.600 0.393 0.000 1.377 113 M HN 0.074 nan 8.290 nan 0.000 0.411 114 K N -1.346 119.131 120.400 0.129 0.000 2.097 114 K HA -0.222 4.105 4.320 0.012 0.000 0.205 114 K C 2.083 178.733 176.600 0.082 0.000 1.050 114 K CA 1.586 57.921 56.287 0.080 0.000 0.938 114 K CB -0.447 32.107 32.500 0.090 0.000 0.718 114 K HN 0.558 nan 8.250 nan 0.000 0.442 115 Y N 1.014 121.328 120.300 0.024 0.000 2.200 115 Y HA -0.173 4.384 4.550 0.012 0.000 0.290 115 Y C 1.828 177.750 175.900 0.037 0.000 1.137 115 Y CA 1.426 59.538 58.100 0.020 0.000 1.163 115 Y CB -0.527 37.925 38.460 -0.014 0.000 0.988 115 Y HN -0.060 nan 8.280 nan 0.000 0.518 116 V N -0.696 118.944 119.914 -0.457 0.000 2.427 116 V HA -0.154 3.973 4.120 0.012 0.000 0.248 116 V C 2.067 178.026 176.094 -0.225 0.000 1.051 116 V CA 1.675 63.691 62.300 -0.473 0.000 1.048 116 V CB -0.860 30.916 31.823 -0.078 0.000 0.666 116 V HN 0.394 nan 8.190 nan 0.000 0.456 117 L N 1.966 123.126 121.223 -0.106 0.000 1.976 117 L HA -0.077 4.271 4.340 0.012 0.000 0.209 117 L C 3.038 179.871 176.870 -0.061 0.000 1.071 117 L CA 3.008 57.806 54.840 -0.071 0.000 0.746 117 L CB -1.633 40.378 42.059 -0.080 0.000 0.890 117 L HN 0.742 nan 8.230 nan 0.000 0.432 118 T N -3.507 111.021 114.554 -0.044 0.000 2.732 118 T HA -0.146 4.212 4.350 0.012 0.000 0.261 118 T C 2.091 176.836 174.700 0.075 0.000 1.040 118 T CA 1.469 63.592 62.100 0.038 0.000 1.145 118 T CB -0.906 68.002 68.868 0.066 0.000 0.866 118 T HN 0.383 nan 8.240 nan 0.000 0.427 119 S N 1.745 117.436 115.700 -0.015 0.000 2.392 119 S HA -0.205 4.272 4.470 0.012 0.000 0.232 119 S C 2.182 176.871 174.600 0.149 0.000 1.041 119 S CA 1.219 59.459 58.200 0.067 0.000 1.026 119 S CB -0.524 62.551 63.200 -0.208 0.000 0.845 119 S HN 0.421 nan 8.310 nan 0.000 0.465 120 R N 1.333 121.826 120.500 -0.011 0.000 2.056 120 R HA 0.193 4.540 4.340 0.012 0.000 0.227 120 R C 2.800 179.048 176.300 -0.088 0.000 1.149 120 R CA 1.540 57.606 56.100 -0.057 0.000 0.937 120 R CB -1.144 29.124 30.300 -0.053 0.000 0.835 120 R HN 0.415 nan 8.270 nan 0.000 0.430 121 S N 0.196 115.910 115.700 0.023 0.000 2.421 121 S HA -0.268 4.210 4.470 0.012 0.000 0.239 121 S C 1.652 176.256 174.600 0.007 0.000 1.054 121 S CA 1.838 60.079 58.200 0.068 0.000 1.035 121 S CB -0.616 62.742 63.200 0.263 0.000 0.840 121 S HN 0.580 nan 8.310 nan 0.000 0.475 122 Y N 0.372 120.681 120.300 0.015 0.000 2.569 122 Y HA 0.089 4.646 4.550 0.012 0.000 0.293 122 Y C 1.496 177.365 175.900 -0.051 0.000 1.144 122 Y CA 0.450 58.543 58.100 -0.012 0.000 1.321 122 Y CB -0.292 38.169 38.460 0.001 0.000 0.982 122 Y HN 0.134 nan 8.280 nan 0.000 0.558 123 L N 0.759 121.555 121.223 -0.712 0.000 2.558 123 L HA 0.133 4.481 4.340 0.012 0.000 0.225 123 L C 0.191 176.830 176.870 -0.386 0.000 1.128 123 L CA 0.274 54.709 54.840 -0.675 0.000 0.868 123 L CB -0.585 41.092 42.059 -0.636 0.000 1.006 123 L HN 0.236 nan 8.230 nan 0.000 0.454 124 I N -0.042 120.397 120.570 -0.218 0.000 2.437 124 I HA 0.217 4.394 4.170 0.012 0.000 0.298 124 I C -0.087 175.985 176.117 -0.076 0.000 0.984 124 I CA -0.986 60.248 61.300 -0.109 0.000 1.214 124 I CB 1.278 39.249 38.000 -0.048 0.000 1.365 124 I HN -0.113 nan 8.210 nan 0.000 0.469 125 D N 3.757 124.133 120.400 -0.041 0.000 2.295 125 D HA 0.342 4.990 4.640 0.012 0.000 0.248 125 D C -0.235 176.031 176.300 -0.057 0.000 1.154 125 D CA 0.289 54.260 54.000 -0.049 0.000 0.857 125 D CB 1.174 41.948 40.800 -0.044 0.000 1.117 125 D HN 0.340 nan 8.370 nan 0.000 0.468 126 S N 2.216 117.868 115.700 -0.080 0.000 2.689 126 S HA 0.416 4.894 4.470 0.012 0.000 0.274 126 S C -2.658 171.885 174.600 -0.096 0.000 1.176 126 S CA -1.223 56.920 58.200 -0.095 0.000 1.014 126 S CB 0.833 63.945 63.200 -0.147 0.000 1.071 126 S HN 0.071 nan 8.310 nan 0.000 0.478 127 P HA 0.197 nan 4.420 nan 0.000 0.267 127 P C -2.506 174.775 177.300 -0.031 0.000 1.201 127 P CA -0.711 62.380 63.100 -0.015 0.000 0.775 127 P CB -0.247 31.467 31.700 0.022 0.000 0.854 128 P HA -0.024 nan 4.420 nan 0.000 0.270 128 P C 0.196 177.422 177.300 -0.122 0.000 1.223 128 P CA 0.141 63.195 63.100 -0.076 0.000 0.785 128 P CB 0.512 32.142 31.700 -0.117 0.000 0.923 129 T N -1.068 113.358 114.554 -0.214 0.000 3.422 129 T HA 0.190 4.547 4.350 0.012 0.000 0.192 129 T C 0.569 174.973 174.700 -0.493 0.000 0.857 129 T CA 0.164 61.992 62.100 -0.453 0.000 1.400 129 T CB -0.770 67.655 68.868 -0.739 0.000 1.864 129 T HN 0.280 nan 8.240 nan 0.000 0.415 130 Y N 3.247 123.500 120.300 -0.079 0.000 2.340 130 Y HA 0.580 5.138 4.550 0.013 0.000 0.327 130 Y C 1.038 176.855 175.900 -0.138 0.000 1.321 130 Y CA -1.025 57.012 58.100 -0.105 0.000 1.433 130 Y CB 0.449 38.863 38.460 -0.077 0.000 1.373 130 Y HN 0.715 nan 8.280 nan 0.000 0.538 131 N N -2.619 116.088 118.700 0.011 0.000 3.316 131 N HA 0.270 5.017 4.740 0.012 0.000 0.300 131 N C -0.338 175.102 175.510 -0.117 0.000 1.567 131 N CA -0.750 52.215 53.050 -0.142 0.000 0.821 131 N CB 1.706 39.908 38.487 -0.475 0.000 1.748 131 N HN 0.430 nan 8.380 nan 0.000 0.603 132 V N 0.184 120.001 119.914 -0.162 0.000 2.568 132 V HA -0.213 3.914 4.120 0.012 0.000 0.253 132 V C 1.249 177.344 176.094 0.001 0.000 1.072 132 V CA 1.821 64.072 62.300 -0.083 0.000 1.084 132 V CB -1.182 30.573 31.823 -0.113 0.000 0.676 132 V HN 0.644 nan 8.190 nan 0.000 0.469 133 H N -3.132 115.859 119.070 -0.132 0.000 2.648 133 H HA 0.221 4.785 4.556 0.012 0.000 0.265 133 H C -0.511 174.443 175.328 -0.623 0.000 0.961 133 H CA -0.107 55.774 56.048 -0.279 0.000 1.185 133 H CB 0.496 30.128 29.762 -0.217 0.000 1.449 133 H HN 0.455 nan 8.280 nan 0.000 0.523 134 Y N -0.271 119.948 120.300 -0.135 0.000 2.326 134 Y HA 0.311 4.868 4.550 0.012 0.000 0.329 134 Y C 0.854 176.661 175.900 -0.154 0.000 0.973 134 Y CA -0.806 57.111 58.100 -0.306 0.000 1.162 134 Y CB 1.992 40.183 38.460 -0.448 0.000 1.147 134 Y HN 0.050 nan 8.280 nan 0.000 0.456 135 G N 2.271 111.037 108.800 -0.057 0.000 3.088 135 G HA2 0.105 4.073 3.960 0.012 0.000 0.217 135 G HA3 0.105 4.073 3.960 0.012 0.000 0.217 135 G C -0.494 174.550 174.900 0.241 0.000 1.159 135 G CA 0.189 45.286 45.100 -0.005 0.000 0.760 135 G HN 0.561 nan 8.290 nan 0.000 0.550 136 Y N -1.615 118.935 120.300 0.416 0.000 2.512 136 Y HA 0.661 5.218 4.550 0.012 0.000 0.348 136 Y C -0.196 175.857 175.900 0.255 0.000 0.990 136 Y CA -2.323 55.999 58.100 0.369 0.000 1.033 136 Y CB 0.996 39.584 38.460 0.215 0.000 1.259 136 Y HN -0.249 nan 8.280 nan 0.000 0.461 137 K N 2.721 123.245 120.400 0.208 0.000 2.451 137 K HA 0.393 4.720 4.320 0.012 0.000 0.280 137 K C -0.322 176.337 176.600 0.097 0.000 1.020 137 K CA 0.293 56.561 56.287 -0.032 0.000 1.008 137 K CB 0.456 32.904 32.500 -0.086 0.000 0.917 137 K HN 0.935 nan 8.250 nan 0.000 0.478 138 S N 1.316 116.968 115.700 -0.080 0.000 2.607 138 S HA 0.218 4.695 4.470 0.012 0.000 0.273 138 S C 0.216 174.779 174.600 -0.062 0.000 1.148 138 S CA -1.129 57.049 58.200 -0.038 0.000 0.833 138 S CB 0.886 63.943 63.200 -0.238 0.000 1.130 138 S HN 0.882 nan 8.310 nan 0.000 0.470 139 W N 1.192 122.447 121.300 -0.074 0.000 2.388 139 W HA -0.073 4.595 4.660 0.013 0.000 0.294 139 W C 1.676 178.175 176.519 -0.034 0.000 1.212 139 W CA 2.176 59.529 57.345 0.014 0.000 1.271 139 W CB -0.179 29.301 29.460 0.033 0.000 1.126 139 W HN 1.047 nan 8.180 nan 0.000 0.535 140 E N 1.072 121.238 120.200 -0.057 0.000 2.058 140 E HA -0.204 4.153 4.350 0.012 0.000 0.194 140 E C 2.174 178.568 176.600 -0.344 0.000 0.997 140 E CA 2.607 58.914 56.400 -0.155 0.000 0.801 140 E CB -0.789 28.772 29.700 -0.231 0.000 0.746 140 E HN 0.101 nan 8.360 nan 0.000 0.450 141 A N 0.133 122.592 122.820 -0.601 0.000 1.851 141 A HA -0.155 4.172 4.320 0.012 0.000 0.216 141 A C 2.305 179.632 177.584 -0.427 0.000 1.195 141 A CA 1.692 53.407 52.037 -0.537 0.000 0.622 141 A CB -1.229 17.459 19.000 -0.519 0.000 0.831 141 A HN 0.519 nan 8.150 nan 0.000 0.444 142 F N 1.835 121.465 119.950 -0.533 0.000 2.269 142 F HA -0.147 4.387 4.527 0.012 0.000 0.301 142 F C 2.383 177.806 175.800 -0.628 0.000 1.082 142 F CA 1.978 59.625 58.000 -0.587 0.000 1.360 142 F CB -0.086 38.477 39.000 -0.728 0.000 1.041 142 F HN 0.293 nan 8.300 nan 0.000 0.512 143 S N -1.048 114.030 115.700 -1.037 0.000 2.483 143 S HA 0.049 4.527 4.470 0.012 0.000 0.221 143 S C 0.888 175.224 174.600 -0.441 0.000 1.030 143 S CA -0.178 57.495 58.200 -0.878 0.000 0.925 143 S CB -0.699 62.206 63.200 -0.492 0.000 0.795 143 S HN 0.318 nan 8.310 nan 0.000 0.511 144 N N 2.305 120.859 118.700 -0.243 0.000 2.406 144 N HA 0.174 4.922 4.740 0.012 0.000 0.265 144 N C 0.522 176.012 175.510 -0.033 0.000 1.203 144 N CA -0.014 53.025 53.050 -0.019 0.000 0.945 144 N CB 0.389 39.030 38.487 0.256 0.000 1.165 144 N HN 0.416 nan 8.380 nan 0.000 0.485 145 L N 1.693 122.868 121.223 -0.079 0.000 2.552 145 L HA -0.010 4.337 4.340 0.012 0.000 0.227 145 L C 1.696 178.626 176.870 0.100 0.000 1.146 145 L CA 0.288 55.094 54.840 -0.056 0.000 0.858 145 L CB -0.077 41.936 42.059 -0.077 0.000 0.969 145 L HN 0.415 nan 8.230 nan 0.000 0.451 146 S N -1.413 114.314 115.700 0.045 0.000 2.489 146 S HA 0.021 4.498 4.470 0.012 0.000 0.228 146 S C 0.420 174.985 174.600 -0.059 0.000 0.995 146 S CA 0.333 58.529 58.200 -0.006 0.000 0.934 146 S CB -0.095 63.095 63.200 -0.017 0.000 0.771 146 S HN 0.236 nan 8.310 nan 0.000 0.522 147 Y N -0.145 120.096 120.300 -0.099 0.000 2.335 147 Y HA 0.388 4.945 4.550 0.012 0.000 0.323 147 Y C -0.095 175.700 175.900 -0.174 0.000 1.224 147 Y CA -0.997 56.919 58.100 -0.308 0.000 1.241 147 Y CB 0.493 38.772 38.460 -0.303 0.000 1.235 147 Y HN 0.017 nan 8.280 nan 0.000 0.492 148 Y N 0.704 121.018 120.300 0.024 0.000 2.299 148 Y HA 0.171 4.728 4.550 0.013 0.000 0.326 148 Y C 0.876 176.785 175.900 0.015 0.000 1.164 148 Y CA -0.463 57.659 58.100 0.036 0.000 1.234 148 Y CB 1.244 39.686 38.460 -0.030 0.000 1.219 148 Y HN 0.568 nan 8.280 nan 0.000 0.497 149 T N 3.322 117.990 114.554 0.191 0.000 2.732 149 T HA 0.422 4.780 4.350 0.012 0.000 0.287 149 T C -0.361 174.379 174.700 0.067 0.000 0.993 149 T CA -0.566 61.572 62.100 0.062 0.000 0.966 149 T CB 0.344 69.224 68.868 0.021 0.000 1.047 149 T HN 0.480 nan 8.240 nan 0.000 0.527 150 R N 0.672 121.220 120.500 0.079 0.000 2.538 150 R HA 0.539 4.887 4.340 0.012 0.000 0.292 150 R C 0.713 177.138 176.300 0.208 0.000 1.008 150 R CA -0.385 55.779 56.100 0.106 0.000 0.896 150 R CB 1.426 31.764 30.300 0.064 0.000 1.187 150 R HN 0.732 nan 8.270 nan 0.000 0.440 151 A N 3.540 126.537 122.820 0.294 0.000 2.015 151 A HA 0.071 4.398 4.320 0.012 0.000 0.219 151 A C 0.652 178.349 177.584 0.188 0.000 1.163 151 A CA 1.091 53.346 52.037 0.363 0.000 0.646 151 A CB 0.175 19.591 19.000 0.694 0.000 0.806 151 A HN 0.483 nan 8.150 nan 0.000 0.448 152 L N 0.279 121.560 121.223 0.097 0.000 2.436 152 L HA 0.355 4.702 4.340 0.012 0.000 0.268 152 L C -2.622 174.098 176.870 -0.250 0.000 0.974 152 L CA -2.525 52.202 54.840 -0.189 0.000 0.826 152 L CB 2.676 44.412 42.059 -0.538 0.000 1.291 152 L HN -0.039 nan 8.230 nan 0.000 0.406 153 P HA 0.061 nan 4.420 nan 0.000 0.266 153 P C -2.592 174.538 177.300 -0.282 0.000 1.193 153 P CA -0.823 61.936 63.100 -0.568 0.000 0.770 153 P CB -0.383 30.757 31.700 -0.933 0.000 0.836 154 P HA 0.016 nan 4.420 nan 0.000 0.273 154 P C -0.267 176.989 177.300 -0.073 0.000 1.250 154 P CA -0.042 63.013 63.100 -0.075 0.000 0.793 154 P CB 0.385 32.078 31.700 -0.012 0.000 1.011 155 V N 0.929 120.830 119.914 -0.022 0.000 2.555 155 V HA 0.230 4.358 4.120 0.012 0.000 0.286 155 V C 1.133 177.227 176.094 -0.000 0.000 1.044 155 V CA -0.338 61.951 62.300 -0.018 0.000 1.026 155 V CB 0.112 31.942 31.823 0.013 0.000 0.981 155 V HN 0.755 nan 8.190 nan 0.000 0.480 156 A N 3.570 126.388 122.820 -0.004 0.000 2.555 156 A HA 0.029 4.356 4.320 0.012 0.000 0.233 156 A C 1.130 178.729 177.584 0.025 0.000 1.060 156 A CA -0.029 52.017 52.037 0.015 0.000 0.759 156 A CB -0.099 18.913 19.000 0.021 0.000 0.995 156 A HN 0.911 nan 8.150 nan 0.000 0.506 157 D N 0.156 120.574 120.400 0.030 0.000 2.224 157 D HA -0.095 4.552 4.640 0.012 0.000 0.205 157 D C 1.076 177.396 176.300 0.033 0.000 0.965 157 D CA 1.596 55.615 54.000 0.033 0.000 0.852 157 D CB 0.065 40.882 40.800 0.028 0.000 0.947 157 D HN 0.771 nan 8.370 nan 0.000 0.494 158 D N -0.222 120.199 120.400 0.035 0.000 2.336 158 D HA -0.038 4.609 4.640 0.012 0.000 0.228 158 D C -0.009 176.311 176.300 0.033 0.000 1.120 158 D CA -0.292 53.730 54.000 0.036 0.000 0.839 158 D CB -0.657 40.170 40.800 0.044 0.000 0.932 158 D HN -0.029 nan 8.370 nan 0.000 0.509 159 c N 2.147 120.764 118.600 0.028 0.000 2.604 159 c HA 0.184 4.762 4.570 0.012 0.000 0.396 159 c C -0.221 173.884 174.090 0.025 0.000 1.282 159 c CA -1.048 55.295 56.329 0.023 0.000 2.292 159 c CB 1.467 43.987 42.510 0.017 0.000 2.633 159 c HN 0.312 nan 8.230 nan 0.000 0.620 160 P HA -0.020 nan 4.420 nan 0.000 0.219 160 P C 0.362 177.679 177.300 0.028 0.000 1.150 160 P CA 1.421 64.536 63.100 0.024 0.000 0.814 160 P CB -0.070 31.643 31.700 0.021 0.000 0.787 161 T N -5.823 108.749 114.554 0.030 0.000 2.916 161 T HA 0.465 4.822 4.350 0.012 0.000 0.292 161 T C -2.378 172.349 174.700 0.044 0.000 1.064 161 T CA -2.165 59.958 62.100 0.038 0.000 1.011 161 T CB 1.833 70.725 68.868 0.042 0.000 1.152 161 T HN -0.318 nan 8.240 nan 0.000 0.510 162 P HA -0.015 nan 4.420 nan 0.000 0.216 162 P C 1.089 178.433 177.300 0.072 0.000 1.150 162 P CA 1.219 64.360 63.100 0.069 0.000 0.843 162 P CB 0.012 31.762 31.700 0.083 0.000 0.787 163 M N -2.186 117.455 119.600 0.068 0.000 2.475 163 M HA 0.355 4.842 4.480 0.012 0.000 0.261 163 M C 1.135 177.449 176.300 0.023 0.000 1.177 163 M CA 0.401 55.735 55.300 0.057 0.000 0.979 163 M CB 0.073 32.714 32.600 0.067 0.000 1.482 163 M HN 0.101 nan 8.290 nan 0.000 0.484 164 G N 0.940 109.752 108.800 0.019 0.000 2.130 164 G HA2 -0.238 3.729 3.960 0.012 0.000 0.222 164 G HA3 -0.238 3.729 3.960 0.012 0.000 0.222 164 G C 0.287 175.189 174.900 0.004 0.000 1.694 164 G CA 0.294 45.393 45.100 -0.002 0.000 1.432 164 G HN 0.349 nan 8.290 nan 0.000 0.476 165 V N -1.719 118.195 119.914 0.000 0.000 3.480 165 V HA 0.530 4.657 4.120 0.012 0.000 0.263 165 V C 0.766 176.870 176.094 0.017 0.000 1.442 165 V CA 1.162 63.466 62.300 0.006 0.000 1.053 165 V CB 0.230 32.051 31.823 -0.005 0.000 0.846 165 V HN 0.436 nan 8.190 nan 0.000 0.440 166 K N 1.583 121.994 120.400 0.019 0.000 2.118 166 K HA 0.613 4.940 4.320 0.012 0.000 0.264 166 K C 0.664 177.296 176.600 0.052 0.000 1.000 166 K CA 0.631 56.938 56.287 0.032 0.000 0.929 166 K CB 1.065 33.581 32.500 0.027 0.000 1.021 166 K HN 0.716 nan 8.250 nan 0.000 0.463 167 G N 1.411 110.249 108.800 0.064 0.000 2.681 167 G HA2 -0.220 3.747 3.960 0.012 0.000 0.220 167 G HA3 -0.220 3.747 3.960 0.012 0.000 0.220 167 G C -0.872 174.066 174.900 0.064 0.000 1.353 167 G CA -0.840 44.309 45.100 0.082 0.000 0.872 167 G HN 0.638 nan 8.290 nan 0.000 0.557 168 N N 0.331 119.070 118.700 0.065 0.000 2.476 168 N HA 0.328 5.076 4.740 0.012 0.000 0.276 168 N C 1.353 176.889 175.510 0.044 0.000 1.204 168 N CA -0.437 52.640 53.050 0.046 0.000 0.974 168 N CB 0.867 39.375 38.487 0.035 0.000 1.204 168 N HN 0.580 nan 8.380 nan 0.000 0.543 169 K N 0.630 121.049 120.400 0.033 0.000 2.286 169 K HA -0.107 4.220 4.320 0.012 0.000 0.203 169 K C -0.179 176.442 176.600 0.035 0.000 1.045 169 K CA 1.434 57.740 56.287 0.031 0.000 0.935 169 K CB -0.028 32.486 32.500 0.024 0.000 0.737 169 K HN 0.604 nan 8.250 nan 0.000 0.460 170 E N 0.172 120.392 120.200 0.033 0.000 2.292 170 E HA 0.242 4.600 4.350 0.012 0.000 0.272 170 E C -1.110 175.512 176.600 0.036 0.000 0.881 170 E CA -0.775 55.645 56.400 0.033 0.000 0.754 170 E CB 1.704 31.415 29.700 0.018 0.000 1.201 170 E HN -0.204 nan 8.360 nan 0.000 0.425 171 L N 3.217 124.471 121.223 0.053 0.000 2.476 171 L HA 0.267 4.615 4.340 0.012 0.000 0.264 171 L C -1.869 174.984 176.870 -0.028 0.000 1.224 171 L CA -1.690 53.189 54.840 0.066 0.000 0.821 171 L CB -0.542 41.595 42.059 0.130 0.000 1.101 171 L HN 0.471 nan 8.230 nan 0.000 0.488 172 P HA -0.015 nan 4.420 nan 0.000 0.269 172 P C -0.664 176.552 177.300 -0.139 0.000 1.215 172 P CA -0.497 62.462 63.100 -0.236 0.000 0.780 172 P CB 0.341 31.711 31.700 -0.550 0.000 0.898 173 D N 1.255 121.592 120.400 -0.105 0.000 2.581 173 D HA -0.076 4.571 4.640 0.012 0.000 0.238 173 D C 1.332 177.603 176.300 -0.048 0.000 1.145 173 D CA 0.505 54.469 54.000 -0.060 0.000 0.866 173 D CB 0.688 41.457 40.800 -0.053 0.000 1.151 173 D HN 0.311 nan 8.370 nan 0.000 0.500 174 S N 4.042 119.734 115.700 -0.013 0.000 2.399 174 S HA -0.213 4.264 4.470 0.012 0.000 0.231 174 S C 1.739 176.346 174.600 0.012 0.000 1.022 174 S CA 0.980 59.189 58.200 0.015 0.000 0.983 174 S CB -0.078 63.138 63.200 0.027 0.000 0.803 174 S HN 0.635 nan 8.310 nan 0.000 0.480 175 K N 0.963 121.362 120.400 -0.002 0.000 2.097 175 K HA -0.096 4.232 4.320 0.012 0.000 0.205 175 K C 2.080 178.673 176.600 -0.011 0.000 1.050 175 K CA 1.484 57.769 56.287 -0.003 0.000 0.938 175 K CB -0.159 32.336 32.500 -0.008 0.000 0.718 175 K HN 0.319 nan 8.250 nan 0.000 0.442 176 E N 0.197 120.381 120.200 -0.027 0.000 2.072 176 E HA -0.095 4.262 4.350 0.012 0.000 0.190 176 E C 1.820 178.399 176.600 -0.035 0.000 0.982 176 E CA 0.858 57.234 56.400 -0.040 0.000 0.803 176 E CB 0.078 29.738 29.700 -0.066 0.000 0.755 176 E HN 0.084 nan 8.360 nan 0.000 0.453 177 V N 1.061 120.959 119.914 -0.028 0.000 2.307 177 V HA -0.229 3.898 4.120 0.012 0.000 0.245 177 V C 2.384 178.495 176.094 0.028 0.000 1.045 177 V CA 1.550 63.856 62.300 0.009 0.000 1.024 177 V CB -0.544 31.314 31.823 0.059 0.000 0.651 177 V HN 0.358 nan 8.190 nan 0.000 0.449 178 L N 0.025 121.267 121.223 0.032 0.000 1.971 178 L HA -0.270 4.078 4.340 0.012 0.000 0.215 178 L C 2.643 179.523 176.870 0.018 0.000 1.072 178 L CA 2.373 57.234 54.840 0.036 0.000 0.758 178 L CB -0.383 41.697 42.059 0.035 0.000 0.889 178 L HN 0.430 nan 8.230 nan 0.000 0.433 179 E N -0.520 119.683 120.200 0.005 0.000 2.072 179 E HA -0.209 4.148 4.350 0.012 0.000 0.191 179 E C 2.180 178.775 176.600 -0.007 0.000 0.985 179 E CA 1.093 57.492 56.400 -0.003 0.000 0.801 179 E CB 0.084 29.778 29.700 -0.009 0.000 0.750 179 E HN 0.486 nan 8.360 nan 0.000 0.452 180 K N 0.282 120.674 120.400 -0.012 0.000 2.097 180 K HA -0.083 4.245 4.320 0.012 0.000 0.205 180 K C 1.936 178.529 176.600 -0.012 0.000 1.050 180 K CA 1.631 57.908 56.287 -0.017 0.000 0.938 180 K CB 0.313 32.795 32.500 -0.029 0.000 0.718 180 K HN 0.171 nan 8.250 nan 0.000 0.442 181 V N -3.211 116.702 119.914 -0.002 0.000 3.382 181 V HA 0.172 4.300 4.120 0.012 0.000 0.296 181 V C 1.228 177.319 176.094 -0.006 0.000 1.529 181 V CA -0.130 62.168 62.300 -0.003 0.000 1.048 181 V CB -0.138 31.690 31.823 0.007 0.000 0.878 181 V HN 0.047 nan 8.190 nan 0.000 0.442 182 L N -0.178 121.046 121.223 0.002 0.000 2.433 182 L HA 0.407 4.755 4.340 0.012 0.000 0.200 182 L C 0.994 177.872 176.870 0.012 0.000 1.059 182 L CA 0.146 54.989 54.840 0.005 0.000 0.835 182 L CB 0.098 42.171 42.059 0.023 0.000 1.076 182 L HN 0.170 nan 8.230 nan 0.000 0.481 183 L N 2.296 123.526 121.223 0.012 0.000 2.525 183 L HA -0.017 4.330 4.340 0.012 0.000 0.278 183 L C 0.746 177.619 176.870 0.004 0.000 1.218 183 L CA 0.314 55.159 54.840 0.009 0.000 0.878 183 L CB 0.054 42.115 42.059 0.002 0.000 1.127 183 L HN 0.313 nan 8.230 nan 0.000 0.492 184 R N 4.333 124.838 120.500 0.009 0.000 2.265 184 R HA 0.250 4.597 4.340 0.012 0.000 0.314 184 R C 0.489 176.797 176.300 0.013 0.000 1.053 184 R CA -0.646 55.460 56.100 0.010 0.000 0.931 184 R CB 1.061 31.378 30.300 0.028 0.000 1.024 184 R HN 0.652 nan 8.270 nan 0.000 0.457 185 R N 2.753 123.258 120.500 0.008 0.000 2.074 185 R HA 0.154 4.501 4.340 0.012 0.000 0.218 185 R C 0.151 176.466 176.300 0.025 0.000 1.137 185 R CA 0.658 56.764 56.100 0.010 0.000 0.998 185 R CB 0.014 30.314 30.300 0.001 0.000 0.895 185 R HN 0.632 nan 8.270 nan 0.000 0.442 186 E N 0.585 120.801 120.200 0.027 0.000 2.238 186 E HA 0.220 4.577 4.350 0.012 0.000 0.267 186 E C -1.528 175.120 176.600 0.081 0.000 0.887 186 E CA -0.892 55.541 56.400 0.055 0.000 0.769 186 E CB 1.941 31.661 29.700 0.033 0.000 1.187 186 E HN -0.067 nan 8.360 nan 0.000 0.416 187 F N 4.435 124.369 119.950 -0.025 0.000 2.571 187 F HA 0.175 4.710 4.527 0.013 0.000 0.384 187 F C -0.458 175.323 175.800 -0.032 0.000 1.058 187 F CA 0.162 58.145 58.000 -0.029 0.000 1.200 187 F CB 0.212 39.192 39.000 -0.034 0.000 1.077 187 F HN 0.334 nan 8.300 nan 0.000 0.558 188 I N 9.588 129.770 120.570 -0.647 0.000 2.306 188 I HA 0.251 4.428 4.170 0.012 0.000 0.288 188 I C -1.952 173.656 176.117 -0.849 0.000 1.036 188 I CA -2.164 58.815 61.300 -0.535 0.000 1.221 188 I CB 0.781 38.594 38.000 -0.311 0.000 1.385 188 I HN 0.468 nan 8.210 nan 0.000 0.472 189 P HA 0.007 nan 4.420 nan 0.000 0.272 189 P C -0.837 176.300 177.300 -0.272 0.000 1.240 189 P CA -0.213 62.654 63.100 -0.389 0.000 0.791 189 P CB 0.780 32.472 31.700 -0.014 0.000 0.978 190 D N 1.767 122.049 120.400 -0.197 0.000 2.317 190 D HA 0.117 4.765 4.640 0.012 0.000 0.252 190 D C -1.308 174.893 176.300 -0.165 0.000 1.174 190 D CA -2.201 51.673 54.000 -0.209 0.000 0.866 190 D CB 0.439 41.102 40.800 -0.228 0.000 1.127 190 D HN 0.113 nan 8.370 nan 0.000 0.467 191 P HA -0.176 nan 4.420 nan 0.000 0.221 191 P C 0.760 177.975 177.300 -0.141 0.000 1.145 191 P CA 1.101 64.119 63.100 -0.136 0.000 0.795 191 P CB 0.208 31.827 31.700 -0.135 0.000 0.775 192 Q N -1.316 118.364 119.800 -0.200 0.000 2.435 192 Q HA 0.118 4.465 4.340 0.012 0.000 0.207 192 Q C 1.352 177.305 176.000 -0.078 0.000 0.956 192 Q CA 0.827 56.502 55.803 -0.212 0.000 0.917 192 Q CB -0.290 28.200 28.738 -0.412 0.000 0.997 192 Q HN 0.309 nan 8.270 nan 0.000 0.497 193 G N 1.044 109.803 108.800 -0.067 0.000 2.157 193 G HA2 -0.254 3.714 3.960 0.012 0.000 0.248 193 G HA3 -0.254 3.714 3.960 0.012 0.000 0.248 193 G C 0.087 174.971 174.900 -0.027 0.000 0.979 193 G CA 0.223 45.313 45.100 -0.015 0.000 0.650 193 G HN 0.276 nan 8.290 nan 0.000 0.529 194 S N 1.486 117.142 115.700 -0.074 0.000 2.575 194 S HA 0.319 4.797 4.470 0.012 0.000 0.295 194 S C 0.975 175.566 174.600 -0.015 0.000 1.267 194 S CA 0.711 58.805 58.200 -0.177 0.000 1.074 194 S CB 0.392 63.393 63.200 -0.332 0.000 0.829 194 S HN 0.938 nan 8.310 nan 0.000 0.497 195 N N 2.696 121.437 118.700 0.068 0.000 2.823 195 N HA 0.369 5.116 4.740 0.012 0.000 0.324 195 N C 0.591 176.231 175.510 0.217 0.000 1.336 195 N CA -0.784 52.354 53.050 0.147 0.000 0.861 195 N CB -0.116 38.468 38.487 0.163 0.000 1.157 195 N HN 0.263 nan 8.380 nan 0.000 0.585 196 M N -0.581 119.135 119.600 0.194 0.000 2.447 196 M HA 0.195 4.683 4.480 0.012 0.000 0.264 196 M C 1.401 177.902 176.300 0.334 0.000 1.095 196 M CA 0.775 56.133 55.300 0.097 0.000 1.125 196 M CB -1.003 31.514 32.600 -0.139 0.000 1.389 196 M HN 0.469 nan 8.290 nan 0.000 0.459 197 M N -1.126 118.766 119.600 0.486 0.000 2.229 197 M HA -0.137 4.350 4.480 0.012 0.000 0.264 197 M C 2.164 178.996 176.300 0.886 0.000 1.063 197 M CA 1.305 57.021 55.300 0.693 0.000 1.114 197 M CB -1.225 31.682 32.600 0.512 0.000 1.387 197 M HN 0.231 nan 8.290 nan 0.000 0.420 198 F N 0.923 121.189 119.950 0.526 0.000 2.118 198 F HA 0.048 4.582 4.527 0.012 0.000 0.293 198 F C 2.309 178.252 175.800 0.239 0.000 1.102 198 F CA 1.450 59.587 58.000 0.229 0.000 1.247 198 F CB -0.420 38.572 39.000 -0.014 0.000 1.017 198 F HN 0.074 nan 8.300 nan 0.000 0.475 199 A N 0.244 123.163 122.820 0.166 0.000 1.883 199 A HA -0.185 4.143 4.320 0.012 0.000 0.217 199 A C 2.020 179.533 177.584 -0.119 0.000 1.186 199 A CA 1.879 53.883 52.037 -0.055 0.000 0.624 199 A CB -1.541 17.396 19.000 -0.104 0.000 0.822 199 A HN 0.457 nan 8.150 nan 0.000 0.444 200 F N -1.839 118.197 119.950 0.143 0.000 2.325 200 F HA 0.045 4.579 4.527 0.013 0.000 0.299 200 F C 1.861 177.685 175.800 0.040 0.000 1.090 200 F CA 0.413 58.496 58.000 0.139 0.000 1.392 200 F CB -0.670 38.492 39.000 0.270 0.000 1.053 200 F HN 0.347 nan 8.300 nan 0.000 0.521 201 F N 0.755 120.744 119.950 0.066 0.000 2.084 201 F HA -0.104 4.430 4.527 0.012 0.000 0.296 201 F C 2.412 178.091 175.800 -0.201 0.000 1.111 201 F CA 1.483 59.265 58.000 -0.364 0.000 1.224 201 F CB -0.719 38.204 39.000 -0.128 0.000 0.991 201 F HN -0.097 nan 8.300 nan 0.000 0.471 202 A N -0.154 122.697 122.820 0.052 0.000 1.948 202 A HA -0.292 4.035 4.320 0.012 0.000 0.220 202 A C 2.255 179.776 177.584 -0.105 0.000 1.177 202 A CA 2.014 54.116 52.037 0.109 0.000 0.636 202 A CB -1.074 18.100 19.000 0.290 0.000 0.815 202 A HN 0.637 nan 8.150 nan 0.000 0.449 203 Q N -1.413 118.297 119.800 -0.150 0.000 2.016 203 Q HA -0.226 4.121 4.340 0.012 0.000 0.200 203 Q C 2.180 177.851 176.000 -0.547 0.000 0.978 203 Q CA 1.528 57.124 55.803 -0.345 0.000 0.833 203 Q CB -0.367 28.214 28.738 -0.261 0.000 0.895 203 Q HN 0.895 nan 8.270 nan 0.000 0.427 204 H N -0.375 118.382 119.070 -0.523 0.000 2.290 204 H HA -0.185 4.378 4.556 0.012 0.000 0.298 204 H C 2.005 177.050 175.328 -0.472 0.000 1.087 204 H CA 1.924 57.618 56.048 -0.590 0.000 1.291 204 H CB -0.358 29.126 29.762 -0.464 0.000 1.369 204 H HN 0.338 nan 8.280 nan 0.000 0.492 205 F N 2.032 121.550 119.950 -0.720 0.000 2.084 205 F HA -0.194 4.341 4.527 0.012 0.000 0.296 205 F C 2.857 178.022 175.800 -1.059 0.000 1.111 205 F CA 2.537 60.014 58.000 -0.871 0.000 1.224 205 F CB -1.024 37.435 39.000 -0.903 0.000 0.991 205 F HN 0.217 nan 8.300 nan 0.000 0.471 206 T N -2.550 111.281 114.554 -1.206 0.000 2.977 206 T HA -0.226 4.131 4.350 0.012 0.000 0.271 206 T C 1.324 175.104 174.700 -1.533 0.000 1.105 206 T CA 1.691 62.688 62.100 -1.838 0.000 1.116 206 T CB -0.986 67.168 68.868 -1.190 0.000 0.878 206 T HN 0.440 nan 8.240 nan 0.000 0.509 207 H N 1.360 119.816 119.070 -1.022 0.000 2.547 207 H HA 0.200 4.763 4.556 0.012 0.000 0.274 207 H C 2.272 177.243 175.328 -0.595 0.000 1.024 207 H CA 0.642 56.348 56.048 -0.569 0.000 1.155 207 H CB -0.100 29.590 29.762 -0.120 0.000 1.344 207 H HN 0.788 nan 8.280 nan 0.000 0.598 208 Q N -0.384 118.849 119.800 -0.945 0.000 2.349 208 Q HA -0.014 4.333 4.340 0.012 0.000 0.209 208 Q C 0.875 176.540 176.000 -0.559 0.000 0.920 208 Q CA 0.649 56.010 55.803 -0.736 0.000 0.901 208 Q CB -0.133 28.042 28.738 -0.938 0.000 1.021 208 Q HN 0.536 nan 8.270 nan 0.000 0.519 209 F N -2.481 117.083 119.950 -0.644 0.000 2.704 209 F HA 0.491 5.025 4.527 0.012 0.000 0.304 209 F C -0.148 175.429 175.800 -0.372 0.000 1.094 209 F CA -1.029 56.645 58.000 -0.542 0.000 1.275 209 F CB 0.517 39.151 39.000 -0.609 0.000 1.073 209 F HN -0.219 nan 8.300 nan 0.000 0.586 210 F N 3.695 123.433 119.950 -0.353 0.000 2.291 210 F HA 0.461 4.996 4.527 0.013 0.000 0.368 210 F C -0.239 175.369 175.800 -0.320 0.000 1.085 210 F CA -1.757 56.081 58.000 -0.271 0.000 1.165 210 F CB 0.753 39.433 39.000 -0.533 0.000 1.429 210 F HN -0.016 nan 8.300 nan 0.000 0.503 211 K N 1.623 122.034 120.400 0.018 0.000 2.827 211 K HA 0.224 4.551 4.320 0.012 0.000 0.186 211 K C -0.186 176.351 176.600 -0.106 0.000 1.093 211 K CA -0.382 55.842 56.287 -0.105 0.000 0.993 211 K CB 1.126 33.528 32.500 -0.162 0.000 1.199 211 K HN 0.209 nan 8.250 nan 0.000 0.598 212 T N 1.728 116.233 114.554 -0.082 0.000 2.908 212 T HA -0.072 4.285 4.350 0.012 0.000 0.301 212 T C 0.099 174.561 174.700 -0.398 0.000 1.019 212 T CA 0.561 62.548 62.100 -0.187 0.000 1.152 212 T CB 0.202 68.877 68.868 -0.322 0.000 0.966 212 T HN 0.295 nan 8.240 nan 0.000 0.540 213 D N 1.789 122.031 120.400 -0.263 0.000 2.494 213 D HA 0.069 4.716 4.640 0.012 0.000 0.217 213 D C 1.204 177.405 176.300 -0.166 0.000 1.153 213 D CA -0.374 53.509 54.000 -0.195 0.000 0.954 213 D CB 0.064 40.784 40.800 -0.133 0.000 1.034 213 D HN 0.530 nan 8.370 nan 0.000 0.518 214 H N 2.386 121.458 119.070 0.002 0.000 2.518 214 H HA -0.074 4.489 4.556 0.012 0.000 0.289 214 H C 1.390 176.703 175.328 -0.025 0.000 1.051 214 H CA 0.836 56.888 56.048 0.006 0.000 1.280 214 H CB 0.479 30.244 29.762 0.005 0.000 1.380 214 H HN 0.486 nan 8.280 nan 0.000 0.566 215 K N 0.704 121.120 120.400 0.027 0.000 2.148 215 K HA -0.048 4.280 4.320 0.012 0.000 0.204 215 K C 2.090 178.628 176.600 -0.103 0.000 1.050 215 K CA 0.693 56.961 56.287 -0.031 0.000 0.942 215 K CB 0.212 32.676 32.500 -0.060 0.000 0.724 215 K HN 0.292 nan 8.250 nan 0.000 0.446 216 R N 0.283 120.673 120.500 -0.184 0.000 2.087 216 R HA 0.105 4.452 4.340 0.012 0.000 0.216 216 R C 0.885 177.048 176.300 -0.228 0.000 1.114 216 R CA 0.738 56.588 56.100 -0.416 0.000 1.002 216 R CB 0.466 30.229 30.300 -0.895 0.000 0.903 216 R HN 0.249 nan 8.270 nan 0.000 0.445 217 G N -0.765 108.063 108.800 0.046 0.000 2.339 217 G HA2 -0.014 3.953 3.960 0.012 0.000 0.302 217 G HA3 -0.014 3.953 3.960 0.012 0.000 0.302 217 G C -2.584 172.494 174.900 0.297 0.000 1.425 217 G CA -0.927 44.318 45.100 0.242 0.000 0.899 217 G HN -0.214 nan 8.290 nan 0.000 0.619 218 P HA -0.013 nan 4.420 nan 0.000 0.218 218 P C 1.714 179.140 177.300 0.210 0.000 1.149 218 P CA 1.780 64.984 63.100 0.173 0.000 0.817 218 P CB 0.007 31.769 31.700 0.104 0.000 0.785 219 G N -1.748 107.152 108.800 0.167 0.000 2.956 219 G HA2 0.066 4.034 3.960 0.012 0.000 0.207 219 G HA3 0.066 4.034 3.960 0.012 0.000 0.207 219 G C -0.029 174.740 174.900 -0.219 0.000 1.162 219 G CA -0.109 45.012 45.100 0.035 0.000 0.796 219 G HN 0.163 nan 8.290 nan 0.000 0.527 220 F N -0.756 119.203 119.950 0.014 0.000 2.492 220 F HA 0.618 5.152 4.527 0.012 0.000 0.327 220 F C 0.428 175.939 175.800 -0.482 0.000 1.079 220 F CA -0.805 57.044 58.000 -0.251 0.000 0.967 220 F CB 2.428 41.269 39.000 -0.265 0.000 1.169 220 F HN -0.165 nan 8.300 nan 0.000 0.472 221 T N 0.771 115.004 114.554 -0.534 0.000 2.930 221 T HA 0.487 4.844 4.350 0.012 0.000 0.290 221 T C 0.555 175.050 174.700 -0.341 0.000 1.052 221 T CA -0.522 61.171 62.100 -0.677 0.000 1.017 221 T CB 1.368 69.525 68.868 -1.185 0.000 1.137 221 T HN 0.733 nan 8.240 nan 0.000 0.511 222 R N 0.955 121.287 120.500 -0.280 0.000 2.373 222 R HA 0.274 4.621 4.340 0.012 0.000 0.221 222 R C 1.249 177.436 176.300 -0.189 0.000 0.893 222 R CA -0.075 55.909 56.100 -0.193 0.000 1.049 222 R CB 0.590 30.795 30.300 -0.158 0.000 1.119 222 R HN 0.607 nan 8.270 nan 0.000 0.535 223 G N 1.378 110.032 108.800 -0.243 0.000 2.985 223 G HA2 0.135 4.103 3.960 0.012 0.000 0.282 223 G HA3 0.135 4.103 3.960 0.012 0.000 0.282 223 G C 0.618 175.374 174.900 -0.240 0.000 0.791 223 G CA -0.356 44.613 45.100 -0.219 0.000 1.934 223 G HN 0.153 nan 8.290 nan 0.000 0.563 224 L N 1.612 122.760 121.223 -0.124 0.000 2.633 224 L HA 0.031 4.378 4.340 0.012 0.000 0.235 224 L C 2.382 179.300 176.870 0.079 0.000 1.163 224 L CA 0.646 55.482 54.840 -0.007 0.000 0.859 224 L CB 0.157 42.209 42.059 -0.013 0.000 0.973 224 L HN 0.545 nan 8.230 nan 0.000 0.451 225 G N -2.680 106.129 108.800 0.014 0.000 2.838 225 G HA2 -0.076 3.891 3.960 0.012 0.000 0.210 225 G HA3 -0.076 3.891 3.960 0.012 0.000 0.210 225 G C 0.664 175.623 174.900 0.098 0.000 1.153 225 G CA -0.249 44.877 45.100 0.044 0.000 0.778 225 G HN 0.555 nan 8.290 nan 0.000 0.539 226 H N -0.399 118.633 119.070 -0.063 0.000 2.690 226 H HA -0.180 4.383 4.556 0.012 0.000 0.309 226 H C 1.093 176.356 175.328 -0.109 0.000 1.138 226 H CA 1.035 57.039 56.048 -0.073 0.000 1.142 226 H CB -1.262 28.450 29.762 -0.082 0.000 1.410 226 H HN 0.746 nan 8.280 nan 0.000 0.409 227 G N -1.614 107.161 108.800 -0.041 0.000 2.325 227 G HA2 0.255 4.222 3.960 0.012 0.000 0.295 227 G HA3 0.255 4.222 3.960 0.012 0.000 0.295 227 G C -0.646 174.259 174.900 0.008 0.000 1.274 227 G CA -0.305 44.737 45.100 -0.096 0.000 0.857 227 G HN 0.136 nan 8.290 nan 0.000 0.499 228 V N 2.212 122.140 119.914 0.023 0.000 2.180 228 V HA 0.194 4.322 4.120 0.012 0.000 0.238 228 V C 0.619 176.751 176.094 0.064 0.000 1.337 228 V CA 1.076 63.414 62.300 0.063 0.000 1.338 228 V CB -0.269 31.635 31.823 0.136 0.000 1.431 228 V HN 0.738 nan 8.190 nan 0.000 0.498 229 D N 2.380 122.809 120.400 0.049 0.000 2.398 229 D HA 0.054 4.702 4.640 0.012 0.000 0.210 229 D C 0.881 177.255 176.300 0.123 0.000 1.094 229 D CA -0.433 53.611 54.000 0.073 0.000 0.839 229 D CB 0.056 40.886 40.800 0.049 0.000 0.963 229 D HN 0.314 nan 8.370 nan 0.000 0.506 230 L N 0.957 122.256 121.223 0.128 0.000 3.634 230 L HA -0.321 4.027 4.340 0.012 0.000 0.423 230 L C 0.664 177.646 176.870 0.187 0.000 1.253 230 L CA 0.779 55.737 54.840 0.198 0.000 0.885 230 L CB -2.393 39.748 42.059 0.137 0.000 1.789 230 L HN 0.352 nan 8.230 nan 0.000 0.904 231 N N -0.441 118.344 118.700 0.141 0.000 2.459 231 N HA -0.168 4.580 4.740 0.012 0.000 0.181 231 N C 1.771 177.268 175.510 -0.022 0.000 1.046 231 N CA 1.293 54.381 53.050 0.064 0.000 0.904 231 N CB -0.181 38.304 38.487 -0.005 0.000 0.964 231 N HN 0.703 nan 8.380 nan 0.000 0.444 232 H N -0.661 118.253 119.070 -0.261 0.000 2.563 232 H HA 0.135 4.698 4.556 0.013 0.000 0.272 232 H C 1.211 176.362 175.328 -0.296 0.000 1.005 232 H CA 0.524 56.340 56.048 -0.387 0.000 1.171 232 H CB -0.155 29.361 29.762 -0.410 0.000 1.351 232 H HN 0.419 nan 8.280 nan 0.000 0.602 233 I N -1.005 119.235 120.570 -0.550 0.000 3.443 233 I HA -0.045 4.132 4.170 0.012 0.000 0.277 233 I C 1.215 177.034 176.117 -0.497 0.000 1.169 233 I CA 0.034 60.959 61.300 -0.624 0.000 1.419 233 I CB 0.159 37.554 38.000 -1.009 0.000 1.331 233 I HN -0.038 nan 8.210 nan 0.000 0.458 234 Y N 1.471 121.717 120.300 -0.090 0.000 2.510 234 Y HA 0.454 5.011 4.550 0.012 0.000 0.273 234 Y C 1.180 177.069 175.900 -0.017 0.000 1.119 234 Y CA 0.129 58.225 58.100 -0.008 0.000 1.286 234 Y CB -0.155 38.343 38.460 0.063 0.000 1.061 234 Y HN 0.142 nan 8.280 nan 0.000 0.542 235 G N 0.469 109.304 108.800 0.058 0.000 2.712 235 G HA2 -0.170 3.798 3.960 0.012 0.000 0.686 235 G HA3 -0.170 3.798 3.960 0.012 0.000 0.686 235 G C 0.234 175.140 174.900 0.009 0.000 1.181 235 G CA -0.407 44.694 45.100 0.002 0.000 0.762 235 G HN 0.043 nan 8.290 nan 0.000 0.641 236 E N -0.516 119.662 120.200 -0.036 0.000 2.112 236 E HA 0.004 4.361 4.350 0.012 0.000 0.190 236 E C 1.943 178.523 176.600 -0.034 0.000 0.979 236 E CA 1.768 58.145 56.400 -0.038 0.000 0.814 236 E CB -0.015 29.645 29.700 -0.067 0.000 0.762 236 E HN 0.980 nan 8.360 nan 0.000 0.460 237 T N -1.707 112.820 114.554 -0.045 0.000 2.902 237 T HA 0.264 4.621 4.350 0.012 0.000 0.283 237 T C 1.338 175.984 174.700 -0.090 0.000 1.009 237 T CA -0.674 61.390 62.100 -0.060 0.000 1.051 237 T CB 1.510 70.341 68.868 -0.062 0.000 0.999 237 T HN -0.063 nan 8.240 nan 0.000 0.474 238 L N 0.839 121.979 121.223 -0.138 0.000 2.127 238 L HA -0.110 4.237 4.340 0.012 0.000 0.211 238 L C 2.412 179.049 176.870 -0.387 0.000 1.089 238 L CA 1.856 56.518 54.840 -0.297 0.000 0.757 238 L CB -0.435 41.447 42.059 -0.296 0.000 0.899 238 L HN 0.914 nan 8.230 nan 0.000 0.434 239 D N -0.297 119.984 120.400 -0.199 0.000 2.117 239 D HA -0.250 4.397 4.640 0.012 0.000 0.197 239 D C 2.190 178.461 176.300 -0.047 0.000 0.987 239 D CA 1.135 55.070 54.000 -0.108 0.000 0.829 239 D CB 0.177 40.942 40.800 -0.057 0.000 0.961 239 D HN 0.273 nan 8.370 nan 0.000 0.460 240 R N 0.579 121.049 120.500 -0.050 0.000 2.075 240 R HA -0.105 4.243 4.340 0.012 0.000 0.232 240 R C 2.455 178.756 176.300 0.001 0.000 1.126 240 R CA 1.124 57.213 56.100 -0.018 0.000 0.963 240 R CB -0.166 30.116 30.300 -0.030 0.000 0.858 240 R HN 0.172 nan 8.270 nan 0.000 0.435 241 Q N -0.446 119.342 119.800 -0.020 0.000 2.135 241 Q HA -0.218 4.129 4.340 0.012 0.000 0.204 241 Q C 1.396 177.426 176.000 0.050 0.000 0.981 241 Q CA 1.666 57.478 55.803 0.016 0.000 0.856 241 Q CB -0.012 28.726 28.738 0.000 0.000 0.902 241 Q HN 0.523 nan 8.270 nan 0.000 0.425 242 H N 0.052 119.103 119.070 -0.032 0.000 2.462 242 H HA 0.039 4.602 4.556 0.012 0.000 0.292 242 H C 1.654 177.035 175.328 0.088 0.000 1.049 242 H CA 0.972 57.062 56.048 0.070 0.000 1.334 242 H CB 0.183 30.084 29.762 0.231 0.000 1.404 242 H HN 0.210 nan 8.280 nan 0.000 0.544 243 K N 0.036 120.532 120.400 0.161 0.000 2.217 243 K HA 0.039 4.367 4.320 0.012 0.000 0.202 243 K C 1.759 178.388 176.600 0.048 0.000 1.051 243 K CA 0.461 56.810 56.287 0.103 0.000 0.952 243 K CB 0.200 32.739 32.500 0.065 0.000 0.736 243 K HN 0.177 nan 8.250 nan 0.000 0.453 244 L N 0.248 121.478 121.223 0.012 0.000 2.446 244 L HA 0.041 4.388 4.340 0.012 0.000 0.219 244 L C 0.555 177.380 176.870 -0.074 0.000 1.116 244 L CA 0.176 55.011 54.840 -0.009 0.000 0.844 244 L CB 0.028 42.096 42.059 0.014 0.000 0.970 244 L HN -0.001 nan 8.230 nan 0.000 0.457 245 R N 0.226 120.586 120.500 -0.234 0.000 2.441 245 R HA 0.100 4.447 4.340 0.012 0.000 0.284 245 R C 0.834 176.874 176.300 -0.432 0.000 1.070 245 R CA -0.439 55.356 56.100 -0.507 0.000 1.047 245 R CB 1.310 30.906 30.300 -1.173 0.000 1.016 245 R HN -0.069 nan 8.270 nan 0.000 0.477 246 L N 3.165 124.239 121.223 -0.248 0.000 2.179 246 L HA 0.086 4.433 4.340 0.012 0.000 0.208 246 L C 0.199 177.100 176.870 0.052 0.000 1.096 246 L CA 1.289 56.104 54.840 -0.042 0.000 0.779 246 L CB -0.289 41.809 42.059 0.065 0.000 0.922 246 L HN 0.823 nan 8.230 nan 0.000 0.443 247 F N -0.049 119.895 119.950 -0.011 0.000 3.058 247 F HA -0.266 4.269 4.527 0.012 0.000 0.295 247 F C -0.019 175.786 175.800 0.008 0.000 0.875 247 F CA 0.687 58.663 58.000 -0.041 0.000 1.150 247 F CB -1.600 37.348 39.000 -0.087 0.000 1.175 247 F HN 0.210 nan 8.300 nan 0.000 0.599 248 K N 0.036 120.534 120.400 0.163 0.000 2.616 248 K HA 0.291 4.619 4.320 0.012 0.000 0.255 248 K C -0.261 176.427 176.600 0.147 0.000 0.995 248 K CA -0.698 55.675 56.287 0.144 0.000 0.860 248 K CB 1.906 34.479 32.500 0.123 0.000 1.264 248 K HN 0.072 nan 8.250 nan 0.000 0.451 249 D N 1.318 121.809 120.400 0.153 0.000 3.090 249 D HA -0.181 4.466 4.640 0.012 0.000 0.215 249 D C 0.801 177.220 176.300 0.200 0.000 1.140 249 D CA 1.781 55.879 54.000 0.163 0.000 0.937 249 D CB -0.989 39.893 40.800 0.137 0.000 1.108 249 D HN 1.137 nan 8.370 nan 0.000 0.420 250 G N 0.260 109.195 108.800 0.226 0.000 2.155 250 G HA2 -0.386 3.581 3.960 0.012 0.000 0.257 250 G HA3 -0.386 3.581 3.960 0.012 0.000 0.257 250 G C 0.345 175.540 174.900 0.492 0.000 0.983 250 G CA 1.061 46.370 45.100 0.348 0.000 0.676 250 G HN 0.469 nan 8.290 nan 0.000 0.528 251 K N -0.739 119.859 120.400 0.329 0.000 2.168 251 K HA 0.570 4.897 4.320 0.012 0.000 0.258 251 K C 0.268 177.058 176.600 0.318 0.000 1.010 251 K CA -0.761 55.755 56.287 0.382 0.000 0.929 251 K CB 0.489 33.152 32.500 0.270 0.000 0.998 251 K HN 0.025 nan 8.250 nan 0.000 0.479 252 L N 2.601 124.041 121.223 0.361 0.000 2.307 252 L HA 0.244 4.591 4.340 0.012 0.000 0.282 252 L C -0.024 176.989 176.870 0.238 0.000 1.051 252 L CA -0.048 54.915 54.840 0.204 0.000 0.804 252 L CB 1.121 43.280 42.059 0.166 0.000 1.197 252 L HN 0.473 nan 8.230 nan 0.000 0.431 253 K N 3.326 123.801 120.400 0.124 0.000 2.469 253 K HA 0.239 4.566 4.320 0.012 0.000 0.274 253 K C -1.026 175.688 176.600 0.191 0.000 0.983 253 K CA 0.708 57.053 56.287 0.096 0.000 0.974 253 K CB 0.397 32.901 32.500 0.007 0.000 0.913 253 K HN 0.576 nan 8.250 nan 0.000 0.493 254 Y N -2.120 118.173 120.300 -0.011 0.000 2.764 254 Y HA 0.298 4.855 4.550 0.012 0.000 0.331 254 Y C -1.536 174.336 175.900 -0.046 0.000 1.280 254 Y CA -1.389 56.690 58.100 -0.035 0.000 1.065 254 Y CB 0.997 39.444 38.460 -0.021 0.000 1.319 254 Y HN 0.593 nan 8.280 nan 0.000 0.453 255 Q N 0.544 120.379 119.800 0.059 0.000 2.456 255 Q HA 0.815 5.162 4.340 0.012 0.000 0.283 255 Q C -2.140 173.942 176.000 0.137 0.000 1.084 255 Q CA -1.328 54.456 55.803 -0.032 0.000 0.801 255 Q CB 3.106 31.792 28.738 -0.085 0.000 1.434 255 Q HN 0.608 nan 8.270 nan 0.000 0.419 256 V N 2.632 122.600 119.914 0.091 0.000 2.378 256 V HA 0.462 4.589 4.120 0.012 0.000 0.288 256 V C -0.620 175.545 176.094 0.118 0.000 1.016 256 V CA -0.463 61.916 62.300 0.132 0.000 0.840 256 V CB 1.037 32.927 31.823 0.112 0.000 0.994 256 V HN 0.660 nan 8.190 nan 0.000 0.431 257 I N 3.768 124.459 120.570 0.200 0.000 2.382 257 I HA 0.573 4.751 4.170 0.012 0.000 0.286 257 I C 1.064 177.281 176.117 0.165 0.000 1.002 257 I CA -0.488 60.909 61.300 0.162 0.000 1.135 257 I CB 1.712 39.795 38.000 0.138 0.000 1.288 257 I HN 0.807 nan 8.210 nan 0.000 0.448 258 G N 4.422 113.278 108.800 0.092 0.000 2.366 258 G HA2 -0.128 3.840 3.960 0.012 0.000 0.299 258 G HA3 -0.128 3.840 3.960 0.012 0.000 0.299 258 G C 0.997 175.943 174.900 0.077 0.000 1.020 258 G CA 0.565 45.710 45.100 0.075 0.000 1.026 258 G HN 1.512 nan 8.290 nan 0.000 0.512 259 G N -1.617 107.222 108.800 0.065 0.000 2.166 259 G HA2 -0.249 3.718 3.960 0.012 0.000 0.260 259 G HA3 -0.249 3.718 3.960 0.012 0.000 0.260 259 G C 0.132 175.049 174.900 0.029 0.000 0.986 259 G CA 1.085 46.212 45.100 0.044 0.000 0.683 259 G HN 0.955 nan 8.290 nan 0.000 0.527 260 E N -0.685 119.547 120.200 0.053 0.000 2.227 260 E HA 0.546 4.903 4.350 0.012 0.000 0.268 260 E C -0.170 176.346 176.600 -0.140 0.000 0.907 260 E CA -0.835 55.525 56.400 -0.065 0.000 0.786 260 E CB 2.366 32.045 29.700 -0.035 0.000 1.191 260 E HN 0.058 nan 8.360 nan 0.000 0.411 261 V N 3.691 123.415 119.914 -0.317 0.000 2.432 261 V HA 0.237 4.364 4.120 0.012 0.000 0.271 261 V C -0.819 174.976 176.094 -0.500 0.000 1.046 261 V CA 0.014 62.166 62.300 -0.247 0.000 0.945 261 V CB -0.283 31.388 31.823 -0.253 0.000 0.992 261 V HN 0.507 nan 8.190 nan 0.000 0.471 262 Y N 4.975 125.260 120.300 -0.024 0.000 2.605 262 Y HA 0.509 5.066 4.550 0.012 0.000 0.343 262 Y C -2.277 173.510 175.900 -0.190 0.000 1.036 262 Y CA -2.796 55.227 58.100 -0.128 0.000 1.065 262 Y CB 2.055 40.377 38.460 -0.231 0.000 1.288 262 Y HN 0.429 nan 8.280 nan 0.000 0.481 263 P HA 0.033 nan 4.420 nan 0.000 0.270 263 P C -2.506 174.627 177.300 -0.279 0.000 1.223 263 P CA -0.809 62.231 63.100 -0.100 0.000 0.785 263 P CB -0.031 31.674 31.700 0.008 0.000 0.923 264 P HA 0.045 nan 4.420 nan 0.000 0.275 264 P C -0.341 176.890 177.300 -0.115 0.000 1.270 264 P CA 0.098 63.124 63.100 -0.123 0.000 0.791 264 P CB 0.060 31.730 31.700 -0.048 0.000 1.089 265 T N -3.665 110.854 114.554 -0.058 0.000 2.927 265 T HA 0.250 4.607 4.350 0.012 0.000 0.281 265 T C 1.338 176.070 174.700 0.052 0.000 0.998 265 T CA -0.732 61.384 62.100 0.026 0.000 1.019 265 T CB 0.328 69.208 68.868 0.020 0.000 1.061 265 T HN 0.057 nan 8.240 nan 0.000 0.518 266 V N 1.343 121.311 119.914 0.090 0.000 2.626 266 V HA -0.062 4.065 4.120 0.012 0.000 0.252 266 V C 2.650 178.772 176.094 0.046 0.000 1.067 266 V CA 2.060 64.410 62.300 0.083 0.000 1.081 266 V CB -0.880 31.015 31.823 0.119 0.000 0.686 266 V HN 1.039 nan 8.190 nan 0.000 0.468 267 K N 0.706 121.125 120.400 0.030 0.000 2.217 267 K HA -0.187 4.140 4.320 0.012 0.000 0.202 267 K C 1.676 178.282 176.600 0.009 0.000 1.051 267 K CA 1.954 58.250 56.287 0.015 0.000 0.952 267 K CB -0.142 32.361 32.500 0.006 0.000 0.736 267 K HN 0.496 nan 8.250 nan 0.000 0.453 268 D N -0.764 119.640 120.400 0.006 0.000 2.301 268 D HA -0.058 4.590 4.640 0.012 0.000 0.206 268 D C 1.522 177.826 176.300 0.007 0.000 0.979 268 D CA 1.272 55.270 54.000 -0.002 0.000 0.874 268 D CB 0.387 41.175 40.800 -0.019 0.000 0.968 268 D HN 0.368 nan 8.370 nan 0.000 0.510 269 T N -4.133 110.431 114.554 0.017 0.000 3.023 269 T HA 0.139 4.496 4.350 0.012 0.000 0.249 269 T C 1.013 175.732 174.700 0.031 0.000 1.050 269 T CA 0.289 62.404 62.100 0.025 0.000 1.088 269 T CB 0.243 69.127 68.868 0.027 0.000 0.946 269 T HN 0.007 nan 8.240 nan 0.000 0.480 270 Q N 0.047 119.865 119.800 0.029 0.000 2.385 270 Q HA -0.134 4.213 4.340 0.012 0.000 0.215 270 Q C 0.103 176.119 176.000 0.027 0.000 0.671 270 Q CA 0.809 56.628 55.803 0.027 0.000 1.335 270 Q CB -2.491 26.260 28.738 0.023 0.000 1.425 270 Q HN 0.895 nan 8.270 nan 0.000 0.781 271 V N -0.125 119.808 119.914 0.031 0.000 2.583 271 V HA 0.368 4.495 4.120 0.012 0.000 0.287 271 V C 0.519 176.628 176.094 0.026 0.000 1.051 271 V CA -0.474 61.839 62.300 0.022 0.000 1.010 271 V CB 1.271 33.105 31.823 0.019 0.000 0.988 271 V HN 0.204 nan 8.190 nan 0.000 0.478 272 E N 6.739 126.943 120.200 0.007 0.000 2.344 272 E HA 0.329 4.686 4.350 0.012 0.000 0.270 272 E C -0.548 176.043 176.600 -0.014 0.000 1.021 272 E CA -0.212 56.189 56.400 0.003 0.000 0.887 272 E CB 0.943 30.635 29.700 -0.014 0.000 0.997 272 E HN 0.630 nan 8.360 nan 0.000 0.429 273 M N 2.165 121.764 119.600 -0.003 0.000 2.619 273 M HA 0.442 4.929 4.480 0.012 0.000 0.297 273 M C -0.404 175.810 176.300 -0.144 0.000 1.229 273 M CA -0.934 54.315 55.300 -0.085 0.000 0.860 273 M CB 1.774 34.360 32.600 -0.024 0.000 1.741 273 M HN 0.429 nan 8.290 nan 0.000 0.462 274 I N 1.797 122.193 120.570 -0.290 0.000 2.307 274 I HA 0.328 4.505 4.170 0.012 0.000 0.289 274 I C -1.389 174.484 176.117 -0.407 0.000 1.021 274 I CA -0.155 61.006 61.300 -0.232 0.000 1.224 274 I CB 0.442 38.356 38.000 -0.142 0.000 1.376 274 I HN 0.488 nan 8.210 nan 0.000 0.470 275 Y N 6.624 126.882 120.300 -0.070 0.000 2.492 275 Y HA 0.431 4.988 4.550 0.012 0.000 0.346 275 Y C -2.066 173.695 175.900 -0.231 0.000 0.997 275 Y CA -2.160 55.856 58.100 -0.140 0.000 1.025 275 Y CB 2.099 40.487 38.460 -0.120 0.000 1.263 275 Y HN 0.406 nan 8.280 nan 0.000 0.454 276 P HA 0.071 nan 4.420 nan 0.000 0.272 276 P C -2.205 174.951 177.300 -0.241 0.000 1.223 276 P CA -1.243 61.667 63.100 -0.317 0.000 0.784 276 P CB 0.621 31.976 31.700 -0.576 0.000 0.923 277 P HA -0.195 nan 4.420 nan 0.000 0.220 277 P C 1.171 178.452 177.300 -0.031 0.000 1.144 277 P CA 1.664 64.739 63.100 -0.042 0.000 0.800 277 P CB -0.492 31.215 31.700 0.011 0.000 0.772 278 H N -1.751 117.292 119.070 -0.045 0.000 2.539 278 H HA 0.139 4.702 4.556 0.012 0.000 0.267 278 H C 0.497 175.794 175.328 -0.053 0.000 0.982 278 H CA -0.353 55.671 56.048 -0.039 0.000 1.146 278 H CB -0.243 29.503 29.762 -0.027 0.000 1.382 278 H HN 0.045 nan 8.280 nan 0.000 0.577 279 I N 4.870 125.249 120.570 -0.319 0.000 2.416 279 I HA 0.145 4.322 4.170 0.012 0.000 0.288 279 I C -2.043 173.959 176.117 -0.191 0.000 1.051 279 I CA -2.452 58.678 61.300 -0.282 0.000 1.375 279 I CB 0.946 38.701 38.000 -0.410 0.000 1.407 279 I HN 0.041 nan 8.210 nan 0.000 0.516 280 P HA 0.109 nan 4.420 nan 0.000 0.267 280 P C 0.542 177.765 177.300 -0.128 0.000 1.205 280 P CA -0.080 62.958 63.100 -0.103 0.000 0.765 280 P CB 0.837 32.491 31.700 -0.077 0.000 0.828 281 E N 2.408 122.557 120.200 -0.085 0.000 2.169 281 E HA -0.271 4.087 4.350 0.012 0.000 0.202 281 E C 1.559 178.133 176.600 -0.043 0.000 1.016 281 E CA 1.615 57.976 56.400 -0.065 0.000 0.817 281 E CB -0.201 29.480 29.700 -0.032 0.000 0.736 281 E HN 0.595 nan 8.360 nan 0.000 0.462 282 N N 0.671 119.352 118.700 -0.032 0.000 2.571 282 N HA -0.138 4.609 4.740 0.012 0.000 0.189 282 N C 1.343 176.893 175.510 0.068 0.000 1.154 282 N CA 0.752 53.810 53.050 0.013 0.000 0.907 282 N CB 0.071 38.557 38.487 -0.001 0.000 0.977 282 N HN 0.268 nan 8.380 nan 0.000 0.449 283 L N -0.565 120.622 121.223 -0.059 0.000 2.672 283 L HA 0.196 4.543 4.340 0.012 0.000 0.236 283 L C 0.294 176.906 176.870 -0.428 0.000 1.092 283 L CA -0.016 54.684 54.840 -0.234 0.000 0.887 283 L CB 0.235 42.097 42.059 -0.329 0.000 1.168 283 L HN 0.013 nan 8.230 nan 0.000 0.502 284 Q N 1.366 120.961 119.800 -0.341 0.000 2.489 284 Q HA 0.164 4.511 4.340 0.012 0.000 0.231 284 Q C -0.713 175.401 176.000 0.190 0.000 1.273 284 Q CA 0.099 55.578 55.803 -0.540 0.000 0.898 284 Q CB -0.070 28.474 28.738 -0.323 0.000 1.545 284 Q HN 0.237 nan 8.270 nan 0.000 0.538 285 F N 0.845 120.808 119.950 0.022 0.000 2.429 285 F HA 0.324 4.859 4.527 0.012 0.000 0.348 285 F C 0.772 176.700 175.800 0.212 0.000 1.109 285 F CA -1.144 56.934 58.000 0.130 0.000 1.232 285 F CB 0.805 39.880 39.000 0.125 0.000 1.157 285 F HN 0.388 nan 8.300 nan 0.000 0.564 286 A N 4.078 127.062 122.820 0.274 0.000 2.258 286 A HA 0.672 4.999 4.320 0.012 0.000 0.316 286 A C -0.545 177.112 177.584 0.121 0.000 1.279 286 A CA -0.477 51.663 52.037 0.171 0.000 0.876 286 A CB 0.664 19.726 19.000 0.103 0.000 1.170 286 A HN 0.633 nan 8.150 nan 0.000 0.520 287 V N 0.198 120.167 119.914 0.092 0.000 3.156 287 V HA 0.892 5.020 4.120 0.012 0.000 0.311 287 V C 1.200 177.259 176.094 -0.057 0.000 1.208 287 V CA -0.019 62.308 62.300 0.046 0.000 1.063 287 V CB 0.898 32.797 31.823 0.126 0.000 1.098 287 V HN 0.950 nan 8.190 nan 0.000 0.452 288 G N -0.879 107.848 108.800 -0.123 0.000 2.480 288 G HA2 -0.109 3.859 3.960 0.012 0.000 0.216 288 G HA3 -0.109 3.859 3.960 0.012 0.000 0.216 288 G C 0.727 175.459 174.900 -0.280 0.000 1.200 288 G CA 0.734 45.722 45.100 -0.186 0.000 0.782 288 G HN 0.709 nan 8.290 nan 0.000 0.554 289 Q N 0.843 120.321 119.800 -0.537 0.000 2.295 289 Q HA 0.142 4.489 4.340 0.012 0.000 0.259 289 Q C 1.366 177.071 176.000 -0.491 0.000 0.976 289 Q CA -0.030 55.323 55.803 -0.750 0.000 0.923 289 Q CB 1.340 28.965 28.738 -1.854 0.000 1.185 289 Q HN 0.760 nan 8.270 nan 0.000 0.410 290 E N 1.719 121.743 120.200 -0.294 0.000 2.401 290 E HA -0.131 4.226 4.350 0.012 0.000 0.199 290 E C 1.117 177.612 176.600 -0.175 0.000 1.023 290 E CA 0.621 56.908 56.400 -0.187 0.000 0.859 290 E CB 0.087 29.706 29.700 -0.135 0.000 0.780 290 E HN 0.262 nan 8.360 nan 0.000 0.523 291 V N 0.081 119.912 119.914 -0.139 0.000 3.621 291 V HA 0.034 4.161 4.120 0.012 0.000 0.285 291 V C 0.378 176.596 176.094 0.207 0.000 1.346 291 V CA 0.006 62.312 62.300 0.010 0.000 1.104 291 V CB -0.320 31.561 31.823 0.096 0.000 0.913 291 V HN 0.227 nan 8.190 nan 0.000 0.432 292 F N 0.944 120.871 119.950 -0.038 0.000 2.771 292 F HA 0.203 4.737 4.527 0.012 0.000 0.299 292 F C 2.089 177.880 175.800 -0.014 0.000 1.177 292 F CA 0.517 58.520 58.000 0.006 0.000 1.450 292 F CB -1.198 37.845 39.000 0.072 0.000 1.114 292 F HN 0.287 nan 8.300 nan 0.000 0.587 293 G N -0.852 107.981 108.800 0.055 0.000 3.042 293 G HA2 0.077 4.044 3.960 0.012 0.000 0.212 293 G HA3 0.077 4.044 3.960 0.012 0.000 0.212 293 G C 1.461 176.414 174.900 0.088 0.000 1.166 293 G CA -0.065 45.058 45.100 0.038 0.000 0.767 293 G HN 0.321 nan 8.290 nan 0.000 0.546 294 L N 0.430 121.684 121.223 0.051 0.000 2.592 294 L HA 0.249 4.596 4.340 0.012 0.000 0.227 294 L C -0.262 176.555 176.870 -0.088 0.000 1.127 294 L CA 0.189 55.101 54.840 0.120 0.000 0.884 294 L CB 0.517 42.695 42.059 0.198 0.000 1.065 294 L HN -0.065 nan 8.230 nan 0.000 0.457 295 V N -0.772 119.071 119.914 -0.118 0.000 2.577 295 V HA 0.197 4.324 4.120 0.012 0.000 0.294 295 V C -1.844 174.044 176.094 -0.343 0.000 1.052 295 V CA -0.837 61.307 62.300 -0.259 0.000 0.891 295 V CB 1.982 33.742 31.823 -0.103 0.000 1.017 295 V HN -0.160 nan 8.190 nan 0.000 0.436 296 P HA -0.137 nan 4.420 nan 0.000 0.218 296 P C 1.577 178.705 177.300 -0.288 0.000 1.146 296 P CA 1.733 64.546 63.100 -0.478 0.000 0.813 296 P CB 0.318 31.610 31.700 -0.680 0.000 0.778 297 G N -0.796 107.732 108.800 -0.452 0.000 2.421 297 G HA2 -0.185 3.782 3.960 0.012 0.000 0.217 297 G HA3 -0.185 3.782 3.960 0.012 0.000 0.217 297 G C 1.367 176.022 174.900 -0.409 0.000 1.143 297 G CA 0.269 44.867 45.100 -0.837 0.000 0.784 297 G HN 0.164 nan 8.290 nan 0.000 0.541 298 L N -0.162 120.891 121.223 -0.283 0.000 2.072 298 L HA 0.238 4.585 4.340 0.012 0.000 0.205 298 L C 2.634 179.474 176.870 -0.049 0.000 1.079 298 L CA 1.353 56.089 54.840 -0.174 0.000 0.752 298 L CB -0.484 41.387 42.059 -0.313 0.000 0.906 298 L HN 0.234 nan 8.230 nan 0.000 0.436 299 M N -1.716 117.857 119.600 -0.045 0.000 2.476 299 M HA -0.143 4.345 4.480 0.012 0.000 0.262 299 M C 1.990 178.295 176.300 0.008 0.000 1.079 299 M CA 1.274 56.606 55.300 0.053 0.000 1.104 299 M CB -0.303 32.300 32.600 0.006 0.000 1.409 299 M HN 0.282 nan 8.290 nan 0.000 0.467 300 M N -1.423 118.117 119.600 -0.099 0.000 2.098 300 M HA -0.213 4.274 4.480 0.012 0.000 0.262 300 M C 1.515 177.727 176.300 -0.148 0.000 1.072 300 M CA 1.868 57.069 55.300 -0.166 0.000 1.133 300 M CB -0.343 32.159 32.600 -0.162 0.000 1.344 300 M HN 0.252 nan 8.290 nan 0.000 0.414 301 Y N 0.542 120.767 120.300 -0.125 0.000 2.293 301 Y HA -0.077 4.480 4.550 0.012 0.000 0.291 301 Y C 2.653 178.444 175.900 -0.181 0.000 1.137 301 Y CA 1.522 59.480 58.100 -0.236 0.000 1.202 301 Y CB -0.945 37.214 38.460 -0.502 0.000 0.990 301 Y HN 0.404 nan 8.280 nan 0.000 0.537 302 A N -0.553 122.317 122.820 0.083 0.000 1.883 302 A HA -0.226 4.102 4.320 0.012 0.000 0.217 302 A C 2.298 180.003 177.584 0.202 0.000 1.186 302 A CA 2.470 54.681 52.037 0.290 0.000 0.624 302 A CB -1.202 18.028 19.000 0.383 0.000 0.822 302 A HN 0.415 nan 8.150 nan 0.000 0.444 303 T N 0.119 114.748 114.554 0.125 0.000 2.777 303 T HA -0.032 4.325 4.350 0.012 0.000 0.266 303 T C 1.816 176.510 174.700 -0.010 0.000 1.040 303 T CA 1.334 63.469 62.100 0.058 0.000 1.141 303 T CB -0.373 68.517 68.868 0.037 0.000 0.868 303 T HN 0.404 nan 8.240 nan 0.000 0.444 304 I N -0.660 119.879 120.570 -0.051 0.000 2.208 304 I HA -0.186 3.991 4.170 0.012 0.000 0.245 304 I C 2.118 178.183 176.117 -0.088 0.000 1.097 304 I CA 1.512 62.729 61.300 -0.138 0.000 1.363 304 I CB -0.232 37.622 38.000 -0.243 0.000 1.051 304 I HN 0.351 nan 8.210 nan 0.000 0.413 305 W N 0.186 121.497 121.300 0.019 0.000 2.584 305 W HA -0.028 4.639 4.660 0.012 0.000 0.264 305 W C 2.369 178.896 176.519 0.013 0.000 1.264 305 W CA 0.174 57.539 57.345 0.033 0.000 1.306 305 W CB 0.077 29.556 29.460 0.032 0.000 1.110 305 W HN 0.112 nan 8.180 nan 0.000 0.606 306 L N 0.492 121.840 121.223 0.208 0.000 2.044 306 L HA -0.113 4.234 4.340 0.012 0.000 0.205 306 L C 2.498 179.430 176.870 0.104 0.000 1.075 306 L CA 1.510 56.428 54.840 0.130 0.000 0.747 306 L CB -0.344 41.761 42.059 0.078 0.000 0.903 306 L HN -0.117 nan 8.230 nan 0.000 0.435 307 R N 0.065 120.574 120.500 0.015 0.000 2.091 307 R HA -0.261 4.086 4.340 0.012 0.000 0.238 307 R C 2.156 178.450 176.300 -0.011 0.000 1.136 307 R CA 1.935 57.997 56.100 -0.064 0.000 0.959 307 R CB -0.180 30.047 30.300 -0.121 0.000 0.856 307 R HN 0.404 nan 8.270 nan 0.000 0.437 308 E N -0.824 119.406 120.200 0.049 0.000 2.072 308 E HA -0.217 4.141 4.350 0.012 0.000 0.191 308 E C 1.690 178.382 176.600 0.154 0.000 0.985 308 E CA 1.753 58.202 56.400 0.082 0.000 0.801 308 E CB -0.213 29.548 29.700 0.102 0.000 0.750 308 E HN 0.496 nan 8.360 nan 0.000 0.452 309 H N 0.142 119.311 119.070 0.165 0.000 2.290 309 H HA -0.090 4.474 4.556 0.012 0.000 0.298 309 H C 1.564 176.972 175.328 0.133 0.000 1.087 309 H CA 2.472 58.632 56.048 0.186 0.000 1.291 309 H CB -0.225 29.674 29.762 0.229 0.000 1.369 309 H HN 0.153 nan 8.280 nan 0.000 0.492 310 N N 0.269 119.017 118.700 0.081 0.000 2.309 310 N HA -0.123 4.624 4.740 0.012 0.000 0.182 310 N C 1.990 177.471 175.510 -0.048 0.000 1.018 310 N CA 0.941 53.994 53.050 0.004 0.000 0.876 310 N CB -0.384 38.111 38.487 0.014 0.000 0.972 310 N HN 0.419 nan 8.380 nan 0.000 0.434 311 R N 0.834 121.310 120.500 -0.040 0.000 2.080 311 R HA -0.058 4.289 4.340 0.012 0.000 0.236 311 R C 1.637 177.921 176.300 -0.028 0.000 1.137 311 R CA 1.254 57.331 56.100 -0.038 0.000 0.943 311 R CB -0.371 29.910 30.300 -0.031 0.000 0.846 311 R HN -0.006 nan 8.270 nan 0.000 0.431 312 V N 0.277 120.175 119.914 -0.026 0.000 2.490 312 V HA -0.292 3.835 4.120 0.012 0.000 0.250 312 V C 2.499 178.579 176.094 -0.023 0.000 1.061 312 V CA 1.521 63.815 62.300 -0.010 0.000 1.064 312 V CB -0.449 31.386 31.823 0.020 0.000 0.670 312 V HN 0.553 nan 8.190 nan 0.000 0.461 313 C N 0.033 119.283 119.300 -0.082 0.000 2.425 313 C HA -0.146 4.322 4.460 0.012 0.000 0.277 313 C C 2.463 177.468 174.990 0.025 0.000 1.280 313 C CA 1.110 60.108 59.018 -0.032 0.000 1.744 313 C CB -0.972 26.742 27.740 -0.044 0.000 1.989 313 C HN 0.616 nan 8.230 nan 0.000 0.491 314 D N 0.527 120.931 120.400 0.006 0.000 2.123 314 D HA -0.021 4.626 4.640 0.012 0.000 0.200 314 D C 1.924 178.225 176.300 0.002 0.000 0.976 314 D CA 0.990 54.996 54.000 0.010 0.000 0.831 314 D CB -0.344 40.454 40.800 -0.003 0.000 0.974 314 D HN 0.430 nan 8.370 nan 0.000 0.469 315 I N 0.616 121.185 120.570 -0.002 0.000 2.179 315 I HA -0.235 3.942 4.170 0.012 0.000 0.242 315 I C 2.416 178.524 176.117 -0.016 0.000 1.088 315 I CA 0.766 62.060 61.300 -0.010 0.000 1.357 315 I CB -0.102 37.899 38.000 0.002 0.000 1.051 315 I HN -0.014 nan 8.210 nan 0.000 0.409 316 L N 0.473 121.711 121.223 0.025 0.000 2.056 316 L HA -0.230 4.118 4.340 0.012 0.000 0.207 316 L C 2.603 179.469 176.870 -0.006 0.000 1.078 316 L CA 1.458 56.326 54.840 0.046 0.000 0.749 316 L CB -0.545 41.627 42.059 0.188 0.000 0.901 316 L HN 0.248 nan 8.230 nan 0.000 0.433 317 K N 0.224 120.648 120.400 0.039 0.000 2.147 317 K HA -0.269 4.058 4.320 0.012 0.000 0.205 317 K C 2.131 178.707 176.600 -0.040 0.000 1.049 317 K CA 1.432 57.741 56.287 0.036 0.000 0.936 317 K CB 0.051 32.591 32.500 0.068 0.000 0.722 317 K HN 0.142 nan 8.250 nan 0.000 0.446 318 Q N 0.649 120.413 119.800 -0.061 0.000 2.084 318 Q HA -0.160 4.188 4.340 0.012 0.000 0.202 318 Q C 1.524 177.425 176.000 -0.164 0.000 0.978 318 Q CA 1.775 57.526 55.803 -0.086 0.000 0.844 318 Q CB 0.144 28.840 28.738 -0.070 0.000 0.898 318 Q HN 0.314 nan 8.270 nan 0.000 0.426 319 E N -0.569 119.473 120.200 -0.262 0.000 2.170 319 E HA -0.057 4.301 4.350 0.012 0.000 0.191 319 E C 0.180 176.336 176.600 -0.741 0.000 0.981 319 E CA 0.670 56.782 56.400 -0.480 0.000 0.830 319 E CB 0.269 29.622 29.700 -0.578 0.000 0.775 319 E HN 0.468 nan 8.360 nan 0.000 0.470 320 H N 0.556 119.369 119.070 -0.429 0.000 2.317 320 H HA 0.172 4.735 4.556 0.012 0.000 0.231 320 H C -1.721 173.432 175.328 -0.291 0.000 1.442 320 H CA -1.820 53.855 56.048 -0.622 0.000 1.336 320 H CB 0.944 29.729 29.762 -1.629 0.000 1.533 320 H HN 0.013 nan 8.280 nan 0.000 0.522 321 P HA -0.155 nan 4.420 nan 0.000 0.221 321 P C 0.681 178.030 177.300 0.082 0.000 1.145 321 P CA 1.077 64.185 63.100 0.013 0.000 0.795 321 P CB 0.416 32.111 31.700 -0.008 0.000 0.775 322 E N -2.474 117.788 120.200 0.103 0.000 2.502 322 E HA -0.035 4.322 4.350 0.012 0.000 0.194 322 E C 0.313 177.128 176.600 0.358 0.000 1.062 322 E CA 0.101 56.614 56.400 0.188 0.000 0.867 322 E CB -0.666 29.143 29.700 0.181 0.000 0.888 322 E HN 0.237 nan 8.360 nan 0.000 0.510 323 W N 1.627 122.971 121.300 0.073 0.000 2.251 323 W HA 0.608 5.275 4.660 0.012 0.000 0.329 323 W C 1.091 177.642 176.519 0.053 0.000 1.234 323 W CA -1.084 56.288 57.345 0.045 0.000 1.228 323 W CB 0.724 30.210 29.460 0.043 0.000 1.135 323 W HN 0.016 nan 8.180 nan 0.000 0.576 324 G N 0.714 109.641 108.800 0.212 0.000 2.535 324 G HA2 0.117 4.084 3.960 0.012 0.000 0.303 324 G HA3 0.117 4.084 3.960 0.012 0.000 0.303 324 G C 0.295 175.285 174.900 0.150 0.000 1.237 324 G CA -0.167 45.016 45.100 0.138 0.000 0.986 324 G HN 0.478 nan 8.290 nan 0.000 0.494 325 D N -1.171 119.311 120.400 0.137 0.000 2.097 325 D HA -0.144 4.503 4.640 0.012 0.000 0.195 325 D C 1.984 178.384 176.300 0.166 0.000 0.989 325 D CA 1.443 55.541 54.000 0.163 0.000 0.827 325 D CB 0.140 41.041 40.800 0.168 0.000 0.966 325 D HN 0.357 nan 8.370 nan 0.000 0.456 326 E N -0.095 120.176 120.200 0.118 0.000 2.072 326 E HA -0.211 4.146 4.350 0.012 0.000 0.191 326 E C 2.027 178.685 176.600 0.096 0.000 0.985 326 E CA 0.782 57.252 56.400 0.117 0.000 0.801 326 E CB -0.170 29.569 29.700 0.066 0.000 0.750 326 E HN 0.518 nan 8.360 nan 0.000 0.452 327 Q N 0.227 120.004 119.800 -0.038 0.000 2.230 327 Q HA -0.074 4.273 4.340 0.012 0.000 0.202 327 Q C 2.299 178.231 176.000 -0.113 0.000 0.963 327 Q CA 0.550 56.212 55.803 -0.235 0.000 0.866 327 Q CB 0.102 28.462 28.738 -0.630 0.000 0.931 327 Q HN 0.220 nan 8.270 nan 0.000 0.452 328 L N -0.388 120.916 121.223 0.135 0.000 2.044 328 L HA -0.117 4.230 4.340 0.012 0.000 0.205 328 L C 2.251 179.256 176.870 0.225 0.000 1.075 328 L CA 1.147 56.162 54.840 0.291 0.000 0.747 328 L CB -0.507 41.739 42.059 0.311 0.000 0.903 328 L HN 0.319 nan 8.230 nan 0.000 0.435 329 F N 0.560 120.581 119.950 0.119 0.000 2.095 329 F HA -0.279 4.255 4.527 0.012 0.000 0.298 329 F C 2.711 178.578 175.800 0.113 0.000 1.104 329 F CA 1.607 59.707 58.000 0.168 0.000 1.232 329 F CB -0.200 38.858 39.000 0.097 0.000 0.987 329 F HN 0.053 nan 8.300 nan 0.000 0.475 330 Q N 0.095 119.922 119.800 0.045 0.000 2.084 330 Q HA -0.143 4.204 4.340 0.012 0.000 0.202 330 Q C 2.241 178.169 176.000 -0.120 0.000 0.978 330 Q CA 2.256 57.995 55.803 -0.106 0.000 0.844 330 Q CB -1.089 27.673 28.738 0.040 0.000 0.898 330 Q HN 0.455 nan 8.270 nan 0.000 0.426 331 T N 0.771 115.307 114.554 -0.030 0.000 2.821 331 T HA -0.069 4.288 4.350 0.012 0.000 0.267 331 T C 2.192 176.960 174.700 0.114 0.000 1.046 331 T CA 1.278 63.422 62.100 0.073 0.000 1.139 331 T CB -0.140 68.834 68.868 0.177 0.000 0.871 331 T HN 0.168 nan 8.240 nan 0.000 0.454 332 S N 1.059 116.785 115.700 0.043 0.000 2.353 332 S HA -0.145 4.332 4.470 0.012 0.000 0.222 332 S C 2.120 176.769 174.600 0.081 0.000 1.035 332 S CA 1.329 59.542 58.200 0.022 0.000 1.025 332 S CB -0.306 62.764 63.200 -0.217 0.000 0.902 332 S HN 0.478 nan 8.310 nan 0.000 0.440 333 R N 0.841 121.274 120.500 -0.112 0.000 2.127 333 R HA -0.042 4.305 4.340 0.012 0.000 0.238 333 R C 2.105 178.443 176.300 0.063 0.000 1.134 333 R CA 1.151 57.160 56.100 -0.152 0.000 0.975 333 R CB -0.341 29.484 30.300 -0.792 0.000 0.865 333 R HN 0.369 nan 8.270 nan 0.000 0.447 334 L N 0.196 121.485 121.223 0.109 0.000 2.156 334 L HA -0.123 4.225 4.340 0.012 0.000 0.208 334 L C 2.335 179.446 176.870 0.401 0.000 1.095 334 L CA 0.998 56.007 54.840 0.281 0.000 0.770 334 L CB -0.205 42.044 42.059 0.317 0.000 0.914 334 L HN 0.302 nan 8.230 nan 0.000 0.439 335 I N -0.722 120.054 120.570 0.343 0.000 2.202 335 I HA -0.293 3.884 4.170 0.012 0.000 0.242 335 I C 2.312 178.579 176.117 0.249 0.000 1.091 335 I CA 0.985 62.452 61.300 0.277 0.000 1.368 335 I CB -0.056 38.087 38.000 0.238 0.000 1.058 335 I HN 0.181 nan 8.210 nan 0.000 0.410 336 L N 0.400 121.785 121.223 0.271 0.000 2.131 336 L HA -0.166 4.182 4.340 0.012 0.000 0.210 336 L C 2.285 179.272 176.870 0.195 0.000 1.092 336 L CA 1.700 56.717 54.840 0.296 0.000 0.759 336 L CB -0.453 41.802 42.059 0.326 0.000 0.903 336 L HN 0.163 nan 8.230 nan 0.000 0.435 337 I N -1.196 119.495 120.570 0.202 0.000 2.226 337 I HA -0.225 3.953 4.170 0.012 0.000 0.245 337 I C 2.428 178.666 176.117 0.201 0.000 1.100 337 I CA 1.369 62.773 61.300 0.174 0.000 1.374 337 I CB -0.885 37.237 38.000 0.203 0.000 1.057 337 I HN 0.349 nan 8.210 nan 0.000 0.413 338 G N 0.195 109.156 108.800 0.268 0.000 2.408 338 G HA2 -0.190 3.777 3.960 0.012 0.000 0.217 338 G HA3 -0.190 3.777 3.960 0.012 0.000 0.217 338 G C 1.527 176.586 174.900 0.264 0.000 1.150 338 G CA 0.362 45.656 45.100 0.323 0.000 0.776 338 G HN 0.385 nan 8.290 nan 0.000 0.542 339 E N -0.016 120.333 120.200 0.248 0.000 2.051 339 E HA -0.102 4.255 4.350 0.012 0.000 0.192 339 E C 2.784 179.552 176.600 0.279 0.000 0.991 339 E CA 1.409 57.976 56.400 0.279 0.000 0.799 339 E CB -0.241 29.687 29.700 0.379 0.000 0.748 339 E HN 0.310 nan 8.360 nan 0.000 0.449 340 T N 1.881 116.591 114.554 0.261 0.000 2.684 340 T HA -0.145 4.212 4.350 0.012 0.000 0.267 340 T C 1.943 176.651 174.700 0.013 0.000 1.036 340 T CA 0.964 63.174 62.100 0.183 0.000 1.148 340 T CB -0.131 68.739 68.868 0.004 0.000 0.863 340 T HN 0.136 nan 8.240 nan 0.000 0.436 341 I N 1.000 121.503 120.570 -0.111 0.000 2.394 341 I HA -0.125 4.053 4.170 0.012 0.000 0.251 341 I C 2.503 178.175 176.117 -0.742 0.000 1.136 341 I CA 1.229 62.271 61.300 -0.431 0.000 1.425 341 I CB -0.608 37.038 38.000 -0.588 0.000 1.079 341 I HN 0.227 nan 8.210 nan 0.000 0.425 342 K N 2.169 122.259 120.400 -0.516 0.000 2.001 342 K HA -0.100 4.227 4.320 0.012 0.000 0.208 342 K C 1.947 178.531 176.600 -0.027 0.000 1.048 342 K CA 1.568 57.756 56.287 -0.166 0.000 0.932 342 K CB -0.388 32.245 32.500 0.222 0.000 0.715 342 K HN 0.188 nan 8.250 nan 0.000 0.437 343 I N 0.395 120.988 120.570 0.040 0.000 2.226 343 I HA -0.236 3.941 4.170 0.012 0.000 0.245 343 I C 2.020 178.163 176.117 0.043 0.000 1.100 343 I CA 0.910 62.257 61.300 0.078 0.000 1.374 343 I CB -0.153 37.949 38.000 0.171 0.000 1.057 343 I HN -0.022 nan 8.210 nan 0.000 0.413 344 V N 0.892 120.777 119.914 -0.048 0.000 2.490 344 V HA -0.249 3.878 4.120 0.012 0.000 0.250 344 V C 2.131 178.247 176.094 0.036 0.000 1.061 344 V CA 1.729 63.952 62.300 -0.127 0.000 1.064 344 V CB -0.357 31.207 31.823 -0.433 0.000 0.670 344 V HN 0.377 nan 8.190 nan 0.000 0.461 345 I N -0.785 119.777 120.570 -0.013 0.000 3.035 345 I HA -0.020 4.157 4.170 0.012 0.000 0.271 345 I C 2.123 178.287 176.117 0.078 0.000 1.190 345 I CA 0.875 62.202 61.300 0.045 0.000 1.472 345 I CB -0.004 38.000 38.000 0.006 0.000 1.116 345 I HN 0.333 nan 8.210 nan 0.000 0.443 346 E N 0.090 120.335 120.200 0.075 0.000 2.473 346 E HA -0.002 4.356 4.350 0.012 0.000 0.204 346 E C 0.582 177.232 176.600 0.084 0.000 0.994 346 E CA 0.215 56.656 56.400 0.068 0.000 0.945 346 E CB 0.610 30.350 29.700 0.067 0.000 0.990 346 E HN 0.407 nan 8.360 nan 0.000 0.493 347 D N -0.189 120.296 120.400 0.141 0.000 3.206 347 D HA -0.035 4.612 4.640 0.012 0.000 0.267 347 D C 1.555 178.071 176.300 0.360 0.000 1.506 347 D CA 0.096 54.231 54.000 0.225 0.000 1.173 347 D CB -0.570 40.363 40.800 0.222 0.000 1.141 347 D HN -0.025 nan 8.370 nan 0.000 0.350 348 Y N 2.573 122.971 120.300 0.163 0.000 1.993 348 Y HA -0.292 4.265 4.550 0.013 0.000 0.267 348 Y C 2.272 178.251 175.900 0.131 0.000 1.155 348 Y CA 1.902 59.985 58.100 -0.028 0.000 1.105 348 Y CB -0.498 37.845 38.460 -0.195 0.000 0.960 348 Y HN -0.212 nan 8.280 nan 0.000 0.486 349 V N 0.351 120.449 119.914 0.307 0.000 2.427 349 V HA -0.298 3.830 4.120 0.012 0.000 0.248 349 V C 2.269 178.360 176.094 -0.005 0.000 1.051 349 V CA 1.983 64.374 62.300 0.151 0.000 1.048 349 V CB -0.883 31.049 31.823 0.182 0.000 0.666 349 V HN 0.432 nan 8.190 nan 0.000 0.456 350 Q N 0.525 120.350 119.800 0.042 0.000 2.112 350 Q HA -0.280 4.067 4.340 0.012 0.000 0.206 350 Q C 2.128 178.091 176.000 -0.062 0.000 0.987 350 Q CA 2.648 58.443 55.803 -0.014 0.000 0.858 350 Q CB -0.503 28.257 28.738 0.037 0.000 0.905 350 Q HN 0.877 nan 8.270 nan 0.000 0.420 351 H N -1.052 117.965 119.070 -0.090 0.000 2.333 351 H HA -0.054 4.509 4.556 0.013 0.000 0.302 351 H C 1.635 176.784 175.328 -0.298 0.000 1.075 351 H CA 1.509 57.460 56.048 -0.162 0.000 1.348 351 H CB -0.437 29.258 29.762 -0.112 0.000 1.393 351 H HN 0.308 nan 8.280 nan 0.000 0.509 352 L N 0.835 121.757 121.223 -0.502 0.000 1.990 352 L HA -0.212 4.135 4.340 0.012 0.000 0.213 352 L C 2.780 179.352 176.870 -0.497 0.000 1.072 352 L CA 2.288 56.795 54.840 -0.554 0.000 0.755 352 L CB -1.219 40.724 42.059 -0.193 0.000 0.889 352 L HN 0.619 nan 8.230 nan 0.000 0.432 353 S N -1.086 114.334 115.700 -0.467 0.000 2.399 353 S HA -0.009 4.468 4.470 0.012 0.000 0.231 353 S C 1.772 176.037 174.600 -0.559 0.000 1.022 353 S CA 0.950 58.721 58.200 -0.715 0.000 0.983 353 S CB -0.800 61.615 63.200 -1.308 0.000 0.803 353 S HN 0.786 nan 8.310 nan 0.000 0.480 354 G N -0.306 108.241 108.800 -0.422 0.000 2.162 354 G HA2 -0.257 3.711 3.960 0.012 0.000 0.260 354 G HA3 -0.257 3.711 3.960 0.012 0.000 0.260 354 G C -0.075 174.712 174.900 -0.189 0.000 0.976 354 G CA 0.334 45.262 45.100 -0.287 0.000 0.655 354 G HN 0.510 nan 8.290 nan 0.000 0.533 355 Y N -0.009 120.150 120.300 -0.234 0.000 2.480 355 Y HA 0.350 4.907 4.550 0.012 0.000 0.338 355 Y C 1.707 177.396 175.900 -0.351 0.000 1.220 355 Y CA 0.097 58.029 58.100 -0.280 0.000 1.430 355 Y CB 0.285 38.652 38.460 -0.155 0.000 1.311 355 Y HN 0.323 nan 8.280 nan 0.000 0.575 356 H N 0.836 119.799 119.070 -0.180 0.000 2.563 356 H HA 0.046 4.610 4.556 0.012 0.000 0.264 356 H C -0.147 175.040 175.328 -0.234 0.000 0.957 356 H CA -0.279 55.668 56.048 -0.169 0.000 1.173 356 H CB 0.295 30.026 29.762 -0.052 0.000 1.420 356 H HN 0.380 nan 8.280 nan 0.000 0.551 357 F N 2.547 122.138 119.950 -0.599 0.000 2.456 357 F HA 0.177 4.711 4.527 0.012 0.000 0.358 357 F C 0.215 175.944 175.800 -0.119 0.000 1.095 357 F CA -0.887 56.811 58.000 -0.503 0.000 1.216 357 F CB 0.498 38.966 39.000 -0.887 0.000 1.125 357 F HN -0.255 nan 8.300 nan 0.000 0.549 358 K N 7.869 127.813 120.400 -0.760 0.000 2.292 358 K HA 0.259 4.587 4.320 0.012 0.000 0.290 358 K C -0.397 175.649 176.600 -0.923 0.000 1.083 358 K CA -0.363 55.563 56.287 -0.601 0.000 0.918 358 K CB 0.184 32.506 32.500 -0.297 0.000 1.089 358 K HN 0.731 nan 8.250 nan 0.000 0.473 359 L N 3.488 124.404 121.223 -0.512 0.000 2.483 359 L HA 0.106 4.453 4.340 0.012 0.000 0.275 359 L C 0.409 177.197 176.870 -0.137 0.000 1.220 359 L CA 0.500 55.182 54.840 -0.263 0.000 0.833 359 L CB 0.322 42.365 42.059 -0.027 0.000 1.102 359 L HN 0.542 nan 8.230 nan 0.000 0.490 360 K N 1.939 122.334 120.400 -0.010 0.000 2.443 360 K HA 0.340 4.667 4.320 0.012 0.000 0.252 360 K C -1.423 175.261 176.600 0.141 0.000 0.933 360 K CA -0.696 55.621 56.287 0.050 0.000 0.792 360 K CB 1.752 34.272 32.500 0.034 0.000 1.185 360 K HN 0.284 nan 8.250 nan 0.000 0.425 361 F N 4.584 124.521 119.950 -0.022 0.000 2.335 361 F HA 0.343 4.877 4.527 0.012 0.000 0.365 361 F C -0.960 174.796 175.800 -0.074 0.000 1.122 361 F CA -0.975 56.997 58.000 -0.047 0.000 1.151 361 F CB 0.569 39.559 39.000 -0.017 0.000 1.282 361 F HN 0.427 nan 8.300 nan 0.000 0.513 362 D N 8.373 128.540 120.400 -0.388 0.000 2.328 362 D HA 0.341 4.988 4.640 0.012 0.000 0.243 362 D C -2.315 173.601 176.300 -0.640 0.000 1.324 362 D CA -2.038 51.656 54.000 -0.509 0.000 0.966 362 D CB 1.801 42.478 40.800 -0.206 0.000 1.324 362 D HN 0.176 nan 8.370 nan 0.000 0.549 363 P HA -0.133 nan 4.420 nan 0.000 0.220 363 P C 0.804 177.454 177.300 -1.083 0.000 1.144 363 P CA 0.993 63.525 63.100 -0.947 0.000 0.800 363 P CB 0.322 31.249 31.700 -1.287 0.000 0.772 364 E N -0.432 119.108 120.200 -1.100 0.000 2.268 364 E HA -0.098 4.260 4.350 0.012 0.000 0.195 364 E C 1.780 178.026 176.600 -0.591 0.000 0.995 364 E CA 0.694 56.351 56.400 -1.239 0.000 0.836 364 E CB -0.626 28.814 29.700 -0.434 0.000 0.763 364 E HN 0.359 nan 8.360 nan 0.000 0.491 365 L N 0.448 121.455 121.223 -0.360 0.000 2.353 365 L HA -0.125 4.222 4.340 0.012 0.000 0.220 365 L C 2.071 178.882 176.870 -0.098 0.000 1.133 365 L CA 0.698 55.450 54.840 -0.147 0.000 0.798 365 L CB -0.146 41.856 42.059 -0.096 0.000 0.922 365 L HN 0.134 nan 8.230 nan 0.000 0.445 366 L N -2.314 118.816 121.223 -0.155 0.000 2.616 366 L HA 0.079 4.427 4.340 0.012 0.000 0.229 366 L C 1.971 178.993 176.870 0.252 0.000 1.110 366 L CA -0.022 54.806 54.840 -0.019 0.000 0.884 366 L CB -0.081 41.871 42.059 -0.178 0.000 1.115 366 L HN 0.150 nan 8.230 nan 0.000 0.481 367 F N 1.647 121.661 119.950 0.107 0.000 2.307 367 F HA -0.197 4.338 4.527 0.012 0.000 0.301 367 F C 1.633 177.512 175.800 0.130 0.000 1.076 367 F CA 0.534 58.623 58.000 0.148 0.000 1.383 367 F CB -0.017 39.063 39.000 0.134 0.000 1.055 367 F HN 0.435 nan 8.300 nan 0.000 0.526 368 N N -0.472 118.401 118.700 0.288 0.000 2.275 368 N HA 0.086 4.833 4.740 0.012 0.000 0.236 368 N C -0.300 175.304 175.510 0.157 0.000 1.154 368 N CA -0.014 53.152 53.050 0.193 0.000 0.866 368 N CB 0.149 38.730 38.487 0.157 0.000 1.093 368 N HN 0.208 nan 8.380 nan 0.000 0.515 369 Q N 0.300 120.205 119.800 0.175 0.000 2.378 369 Q HA 0.385 4.732 4.340 0.012 0.000 0.276 369 Q C -0.940 175.158 176.000 0.164 0.000 1.083 369 Q CA -0.496 55.395 55.803 0.146 0.000 0.856 369 Q CB 1.707 30.517 28.738 0.121 0.000 1.383 369 Q HN 0.159 nan 8.270 nan 0.000 0.458 370 Q N 1.382 121.267 119.800 0.142 0.000 2.377 370 Q HA 0.443 4.790 4.340 0.012 0.000 0.249 370 Q C -1.396 174.706 176.000 0.171 0.000 1.005 370 Q CA -0.094 55.784 55.803 0.125 0.000 0.912 370 Q CB 0.554 29.342 28.738 0.083 0.000 1.223 370 Q HN 0.439 nan 8.270 nan 0.000 0.459 371 F N 1.694 121.595 119.950 -0.082 0.000 2.596 371 F HA 0.225 4.759 4.527 0.012 0.000 0.311 371 F C -1.213 174.387 175.800 -0.333 0.000 1.116 371 F CA -0.842 57.035 58.000 -0.204 0.000 0.957 371 F CB 1.794 40.632 39.000 -0.270 0.000 1.250 371 F HN 0.249 nan 8.300 nan 0.000 0.444 372 Q N 5.457 124.666 119.800 -0.984 0.000 2.322 372 Q HA 0.155 4.502 4.340 0.012 0.000 0.256 372 Q C -1.076 174.461 176.000 -0.771 0.000 0.960 372 Q CA -0.096 55.312 55.803 -0.659 0.000 0.934 372 Q CB 0.855 29.329 28.738 -0.441 0.000 1.200 372 Q HN 0.731 nan 8.270 nan 0.000 0.435 373 Y N 2.867 123.112 120.300 -0.092 0.000 2.851 373 Y HA 0.006 4.563 4.550 0.013 0.000 0.369 373 Y C 0.881 176.779 175.900 -0.004 0.000 1.226 373 Y CA -0.157 57.978 58.100 0.059 0.000 1.949 373 Y CB 0.193 38.744 38.460 0.151 0.000 2.059 373 Y HN 0.460 nan 8.280 nan 0.000 0.420 374 Q N -0.228 119.568 119.800 -0.007 0.000 2.575 374 Q HA 0.545 4.892 4.340 0.012 0.000 0.290 374 Q C -1.996 173.971 176.000 -0.055 0.000 0.963 374 Q CA -1.237 54.560 55.803 -0.010 0.000 0.783 374 Q CB 2.209 30.933 28.738 -0.024 0.000 1.467 374 Q HN 0.260 nan 8.270 nan 0.000 0.402 375 N N -0.485 118.188 118.700 -0.044 0.000 2.708 375 N HA 0.625 5.372 4.740 0.012 0.000 0.257 375 N C -2.176 173.298 175.510 -0.061 0.000 1.373 375 N CA -0.553 52.468 53.050 -0.048 0.000 0.843 375 N CB 2.394 40.864 38.487 -0.028 0.000 1.503 375 N HN 0.610 nan 8.380 nan 0.000 0.504 376 R N 2.234 122.717 120.500 -0.027 0.000 2.569 376 R HA 0.436 4.784 4.340 0.012 0.000 0.293 376 R C -1.221 175.184 176.300 0.176 0.000 1.186 376 R CA -0.486 55.621 56.100 0.011 0.000 0.956 376 R CB 0.213 30.427 30.300 -0.145 0.000 1.196 376 R HN 0.552 nan 8.270 nan 0.000 0.444 377 I N 3.510 124.304 120.570 0.375 0.000 2.742 377 I HA 0.067 4.245 4.170 0.012 0.000 0.287 377 I C 0.797 177.046 176.117 0.221 0.000 1.186 377 I CA 0.436 61.853 61.300 0.195 0.000 1.417 377 I CB -0.073 38.029 38.000 0.169 0.000 1.377 377 I HN 0.695 nan 8.210 nan 0.000 0.556 378 A N 5.199 128.013 122.820 -0.009 0.000 2.340 378 A HA 0.294 4.622 4.320 0.012 0.000 0.268 378 A C 1.258 178.730 177.584 -0.188 0.000 1.100 378 A CA -0.168 51.770 52.037 -0.165 0.000 0.803 378 A CB 0.797 19.367 19.000 -0.717 0.000 1.043 378 A HN 0.786 nan 8.150 nan 0.000 0.488 379 S N 0.502 116.108 115.700 -0.157 0.000 2.355 379 S HA -0.134 4.343 4.470 0.012 0.000 0.222 379 S C 1.669 176.149 174.600 -0.201 0.000 1.031 379 S CA 2.058 60.087 58.200 -0.283 0.000 0.993 379 S CB -0.379 62.786 63.200 -0.058 0.000 0.859 379 S HN 0.784 nan 8.310 nan 0.000 0.453 380 E N 0.408 120.538 120.200 -0.116 0.000 2.160 380 E HA -0.092 4.265 4.350 0.012 0.000 0.195 380 E C 1.571 178.135 176.600 -0.060 0.000 0.991 380 E CA 1.055 57.432 56.400 -0.038 0.000 0.810 380 E CB -0.329 29.360 29.700 -0.020 0.000 0.742 380 E HN 0.561 nan 8.360 nan 0.000 0.466 381 F N 1.931 121.585 119.950 -0.492 0.000 2.134 381 F HA -0.170 4.364 4.527 0.012 0.000 0.299 381 F C 1.961 177.642 175.800 -0.198 0.000 1.097 381 F CA 1.331 59.149 58.000 -0.303 0.000 1.264 381 F CB -0.488 38.208 39.000 -0.507 0.000 1.001 381 F HN 0.031 nan 8.300 nan 0.000 0.479 382 N N -0.139 118.232 118.700 -0.549 0.000 2.104 382 N HA -0.174 4.574 4.740 0.012 0.000 0.190 382 N C 1.682 176.802 175.510 -0.649 0.000 1.024 382 N CA 2.150 54.425 53.050 -1.291 0.000 0.853 382 N CB -0.382 37.386 38.487 -1.197 0.000 1.008 382 N HN 0.307 nan 8.380 nan 0.000 0.424 383 T N 1.940 116.260 114.554 -0.391 0.000 2.708 383 T HA -0.117 4.241 4.350 0.012 0.000 0.266 383 T C 1.859 176.501 174.700 -0.097 0.000 1.037 383 T CA 1.422 63.319 62.100 -0.338 0.000 1.146 383 T CB -0.309 68.388 68.868 -0.285 0.000 0.865 383 T HN 0.404 nan 8.240 nan 0.000 0.435 384 L N -1.180 120.027 121.223 -0.027 0.000 2.549 384 L HA 0.162 4.510 4.340 0.012 0.000 0.229 384 L C 1.633 178.503 176.870 -0.001 0.000 1.158 384 L CA 1.342 56.220 54.840 0.064 0.000 0.842 384 L CB -1.036 41.074 42.059 0.085 0.000 0.952 384 L HN 0.163 nan 8.230 nan 0.000 0.452 385 Y N -0.662 119.452 120.300 -0.310 0.000 2.458 385 Y HA 0.217 4.775 4.550 0.013 0.000 0.256 385 Y C 0.869 176.388 175.900 -0.636 0.000 1.159 385 Y CA -0.307 57.322 58.100 -0.786 0.000 1.261 385 Y CB 0.071 38.044 38.460 -0.813 0.000 1.119 385 Y HN 0.266 nan 8.280 nan 0.000 0.524 386 H N 0.239 119.230 119.070 -0.132 0.000 3.356 386 H HA -0.086 4.478 4.556 0.013 0.000 0.260 386 H C -0.470 175.012 175.328 0.256 0.000 1.570 386 H CA -0.129 55.918 56.048 -0.000 0.000 1.547 386 H CB -0.251 29.578 29.762 0.112 0.000 1.774 386 H HN 0.398 nan 8.280 nan 0.000 0.542 387 W N 1.749 123.018 121.300 -0.052 0.000 3.285 387 W HA 0.091 4.759 4.660 0.012 0.000 0.426 387 W C 0.908 177.407 176.519 -0.034 0.000 0.957 387 W CA -0.858 56.499 57.345 0.019 0.000 1.932 387 W CB -1.161 28.351 29.460 0.086 0.000 0.961 387 W HN 0.679 nan 8.180 nan 0.000 0.832 388 H N 0.581 119.876 119.070 0.375 0.000 2.457 388 H HA -0.126 4.437 4.556 0.012 0.000 0.297 388 H C -0.498 174.969 175.328 0.231 0.000 1.092 388 H CA 1.630 57.846 56.048 0.280 0.000 1.309 388 H CB -1.224 28.692 29.762 0.257 0.000 1.382 388 H HN 0.007 nan 8.280 nan 0.000 0.535 389 P HA -0.125 nan 4.420 nan 0.000 0.225 389 P C 1.196 178.574 177.300 0.130 0.000 1.148 389 P CA 0.930 64.129 63.100 0.165 0.000 0.779 389 P CB 0.047 31.799 31.700 0.088 0.000 0.780 390 L N -1.424 119.893 121.223 0.158 0.000 2.046 390 L HA -0.108 4.239 4.340 0.012 0.000 0.208 390 L C 1.102 178.060 176.870 0.147 0.000 1.077 390 L CA 0.698 55.616 54.840 0.129 0.000 0.747 390 L CB -0.763 41.398 42.059 0.170 0.000 0.896 390 L HN -0.026 nan 8.230 nan 0.000 0.432 391 L N 0.808 122.144 121.223 0.189 0.000 2.485 391 L HA 0.059 4.407 4.340 0.012 0.000 0.275 391 L C -1.910 175.082 176.870 0.202 0.000 1.207 391 L CA -1.375 53.581 54.840 0.193 0.000 0.855 391 L CB -0.516 41.796 42.059 0.420 0.000 1.114 391 L HN -0.052 nan 8.230 nan 0.000 0.485 392 P HA 0.152 nan 4.420 nan 0.000 0.293 392 P C -0.463 176.720 177.300 -0.194 0.000 1.304 392 P CA -0.426 62.542 63.100 -0.220 0.000 0.767 392 P CB 0.958 32.347 31.700 -0.518 0.000 1.247 393 D N -1.580 118.650 120.400 -0.284 0.000 2.305 393 D HA 0.038 4.686 4.640 0.012 0.000 0.206 393 D C 0.435 176.670 176.300 -0.110 0.000 0.974 393 D CA 1.295 55.244 54.000 -0.084 0.000 0.871 393 D CB 0.153 40.890 40.800 -0.105 0.000 0.947 393 D HN 0.505 nan 8.370 nan 0.000 0.516 394 T N -2.066 112.260 114.554 -0.380 0.000 2.932 394 T HA 0.513 4.870 4.350 0.012 0.000 0.318 394 T C -0.847 173.482 174.700 -0.618 0.000 1.265 394 T CA -0.865 61.025 62.100 -0.351 0.000 1.036 394 T CB 1.023 69.802 68.868 -0.149 0.000 1.209 394 T HN -0.225 nan 8.240 nan 0.000 0.484 395 F N 2.400 122.225 119.950 -0.208 0.000 2.371 395 F HA 0.422 4.957 4.527 0.012 0.000 0.363 395 F C 0.480 176.253 175.800 -0.046 0.000 1.122 395 F CA -1.022 56.823 58.000 -0.259 0.000 1.129 395 F CB 0.896 39.354 39.000 -0.903 0.000 1.173 395 F HN 0.444 nan 8.300 nan 0.000 0.489 396 N N 5.566 124.307 118.700 0.068 0.000 2.500 396 N HA 0.339 5.087 4.740 0.012 0.000 0.236 396 N C -0.791 174.676 175.510 -0.070 0.000 1.022 396 N CA -0.192 52.858 53.050 0.002 0.000 0.935 396 N CB 1.350 39.804 38.487 -0.055 0.000 1.147 396 N HN 0.469 nan 8.380 nan 0.000 0.512 397 I N 1.469 121.950 120.570 -0.148 0.000 2.330 397 I HA 0.124 4.301 4.170 0.012 0.000 0.286 397 I C 1.061 176.960 176.117 -0.363 0.000 1.025 397 I CA -0.049 60.977 61.300 -0.456 0.000 1.197 397 I CB 0.444 37.932 38.000 -0.852 0.000 1.358 397 I HN 0.515 nan 8.210 nan 0.000 0.467 398 E N 2.733 122.793 120.200 -0.234 0.000 3.043 398 E HA -0.317 4.041 4.350 0.012 0.000 0.368 398 E C 0.218 176.782 176.600 -0.059 0.000 1.459 398 E CA 1.750 58.091 56.400 -0.099 0.000 1.337 398 E CB -0.608 29.086 29.700 -0.010 0.000 1.696 398 E HN 0.732 nan 8.360 nan 0.000 0.520 399 D N 0.543 120.935 120.400 -0.013 0.000 2.249 399 D HA 0.017 4.665 4.640 0.012 0.000 0.205 399 D C 0.593 176.854 176.300 -0.065 0.000 0.962 399 D CA 0.741 54.730 54.000 -0.019 0.000 0.860 399 D CB 0.083 40.893 40.800 0.016 0.000 0.955 399 D HN 0.093 nan 8.370 nan 0.000 0.505 400 Q N 0.455 120.198 119.800 -0.094 0.000 2.526 400 Q HA 0.280 4.627 4.340 0.012 0.000 0.207 400 Q C -0.170 175.670 176.000 -0.266 0.000 1.078 400 Q CA 0.442 56.087 55.803 -0.264 0.000 1.041 400 Q CB 0.632 29.048 28.738 -0.536 0.000 1.228 400 Q HN 0.155 nan 8.270 nan 0.000 0.603 401 E N 0.760 120.721 120.200 -0.399 0.000 2.646 401 E HA 0.186 4.543 4.350 0.012 0.000 0.336 401 E C -1.360 175.106 176.600 -0.223 0.000 1.027 401 E CA -0.079 56.193 56.400 -0.212 0.000 0.765 401 E CB 0.708 30.321 29.700 -0.146 0.000 1.545 401 E HN 0.390 nan 8.360 nan 0.000 0.382 402 Y N 0.929 121.268 120.300 0.066 0.000 2.304 402 Y HA 0.169 4.726 4.550 0.012 0.000 0.328 402 Y C 1.309 177.320 175.900 0.185 0.000 1.123 402 Y CA -0.496 57.699 58.100 0.159 0.000 1.218 402 Y CB 1.056 39.687 38.460 0.285 0.000 1.207 402 Y HN 0.292 nan 8.280 nan 0.000 0.495 403 S N 1.423 117.330 115.700 0.345 0.000 2.624 403 S HA 0.191 4.668 4.470 0.012 0.000 0.263 403 S C 0.754 175.642 174.600 0.481 0.000 1.287 403 S CA -0.585 57.822 58.200 0.345 0.000 0.990 403 S CB 0.444 63.803 63.200 0.266 0.000 0.950 403 S HN 0.557 nan 8.310 nan 0.000 0.561 404 F N 1.104 121.252 119.950 0.329 0.000 2.069 404 F HA -0.033 4.502 4.527 0.013 0.000 0.298 404 F C 2.682 178.641 175.800 0.264 0.000 1.113 404 F CA 1.711 59.934 58.000 0.373 0.000 1.214 404 F CB -0.496 38.671 39.000 0.278 0.000 0.978 404 F HN 0.583 nan 8.300 nan 0.000 0.474 405 K N 0.643 121.289 120.400 0.410 0.000 2.089 405 K HA -0.251 4.076 4.320 0.012 0.000 0.210 405 K C 1.841 178.594 176.600 0.254 0.000 1.048 405 K CA 2.141 58.598 56.287 0.283 0.000 0.926 405 K CB -0.405 32.232 32.500 0.227 0.000 0.714 405 K HN 0.492 nan 8.250 nan 0.000 0.448 406 Q N -1.765 118.212 119.800 0.293 0.000 2.269 406 Q HA -0.048 4.300 4.340 0.012 0.000 0.201 406 Q C 1.938 178.086 176.000 0.246 0.000 0.946 406 Q CA 0.581 56.558 55.803 0.289 0.000 0.877 406 Q CB -0.112 28.860 28.738 0.390 0.000 0.963 406 Q HN 0.161 nan 8.270 nan 0.000 0.472 407 F N 1.577 121.555 119.950 0.047 0.000 2.234 407 F HA 0.063 4.598 4.527 0.012 0.000 0.296 407 F C 0.848 176.501 175.800 -0.244 0.000 1.089 407 F CA 0.266 58.171 58.000 -0.158 0.000 1.343 407 F CB 0.246 39.059 39.000 -0.310 0.000 1.040 407 F HN -0.076 nan 8.300 nan 0.000 0.498 408 L N 1.623 122.731 121.223 -0.191 0.000 2.525 408 L HA -0.127 4.220 4.340 0.012 0.000 0.278 408 L C 0.243 176.747 176.870 -0.609 0.000 1.218 408 L CA -0.002 54.474 54.840 -0.607 0.000 0.878 408 L CB -0.747 40.802 42.059 -0.850 0.000 1.127 408 L HN 0.480 nan 8.230 nan 0.000 0.492 409 Y N 0.954 121.216 120.300 -0.064 0.000 3.152 409 Y HA -0.282 4.275 4.550 0.012 0.000 0.212 409 Y C 0.435 176.276 175.900 -0.099 0.000 1.198 409 Y CA 0.151 58.229 58.100 -0.036 0.000 1.220 409 Y CB -2.140 36.344 38.460 0.040 0.000 1.326 409 Y HN 0.628 nan 8.280 nan 0.000 0.562 410 N N 1.440 120.051 118.700 -0.149 0.000 2.696 410 N HA 0.213 4.961 4.740 0.012 0.000 0.246 410 N C 0.114 175.446 175.510 -0.297 0.000 1.057 410 N CA -0.446 52.501 53.050 -0.172 0.000 0.867 410 N CB 0.370 38.767 38.487 -0.150 0.000 1.141 410 N HN 0.288 nan 8.380 nan 0.000 0.517 411 N N 0.386 118.894 118.700 -0.320 0.000 2.398 411 N HA -0.008 4.740 4.740 0.012 0.000 0.188 411 N C 0.942 176.229 175.510 -0.372 0.000 1.122 411 N CA 0.253 53.039 53.050 -0.441 0.000 0.866 411 N CB 0.409 38.468 38.487 -0.712 0.000 0.970 411 N HN 0.418 nan 8.380 nan 0.000 0.462 412 S N 0.986 116.533 115.700 -0.255 0.000 2.402 412 S HA 0.028 4.505 4.470 0.012 0.000 0.229 412 S C 2.046 176.570 174.600 -0.127 0.000 1.021 412 S CA 0.434 58.529 58.200 -0.175 0.000 0.974 412 S CB -0.046 63.093 63.200 -0.101 0.000 0.800 412 S HN 0.276 nan 8.310 nan 0.000 0.484 413 I N 1.191 121.693 120.570 -0.113 0.000 2.163 413 I HA -0.196 3.982 4.170 0.012 0.000 0.243 413 I C 2.435 178.649 176.117 0.161 0.000 1.085 413 I CA 1.043 62.357 61.300 0.024 0.000 1.347 413 I CB -0.416 37.507 38.000 -0.128 0.000 1.044 413 I HN 0.242 nan 8.210 nan 0.000 0.408 414 L N 0.843 121.994 121.223 -0.120 0.000 1.994 414 L HA -0.192 4.155 4.340 0.012 0.000 0.208 414 L C 2.290 179.024 176.870 -0.226 0.000 1.071 414 L CA 1.857 56.433 54.840 -0.440 0.000 0.745 414 L CB -0.566 41.129 42.059 -0.607 0.000 0.892 414 L HN 0.137 nan 8.230 nan 0.000 0.431 415 L N -0.652 120.417 121.223 -0.257 0.000 2.265 415 L HA -0.195 4.153 4.340 0.012 0.000 0.215 415 L C 2.435 179.242 176.870 -0.105 0.000 1.117 415 L CA 1.095 55.793 54.840 -0.236 0.000 0.782 415 L CB -0.432 41.469 42.059 -0.264 0.000 0.914 415 L HN 0.435 nan 8.230 nan 0.000 0.441 416 E N -0.140 120.006 120.200 -0.091 0.000 2.008 416 E HA -0.183 4.175 4.350 0.012 0.000 0.191 416 E C 2.168 178.653 176.600 -0.192 0.000 0.986 416 E CA 1.491 57.786 56.400 -0.176 0.000 0.807 416 E CB -0.000 29.532 29.700 -0.279 0.000 0.766 416 E HN 0.444 nan 8.360 nan 0.000 0.450 417 H N -0.708 118.449 119.070 0.145 0.000 2.497 417 H HA 0.269 4.832 4.556 0.012 0.000 0.282 417 H C 1.023 176.444 175.328 0.155 0.000 1.003 417 H CA 0.770 56.920 56.048 0.171 0.000 1.307 417 H CB 0.264 30.170 29.762 0.240 0.000 1.437 417 H HN 0.307 nan 8.280 nan 0.000 0.544 418 G N 0.948 109.886 108.800 0.230 0.000 2.699 418 G HA2 -0.211 3.756 3.960 0.012 0.000 0.686 418 G HA3 -0.211 3.756 3.960 0.012 0.000 0.686 418 G C 0.432 175.404 174.900 0.120 0.000 1.301 418 G CA -0.255 44.939 45.100 0.156 0.000 0.816 418 G HN 0.141 nan 8.290 nan 0.000 0.595 419 L N 0.905 122.148 121.223 0.034 0.000 2.083 419 L HA -0.082 4.265 4.340 0.012 0.000 0.209 419 L C 3.159 180.051 176.870 0.038 0.000 1.083 419 L CA 3.015 57.842 54.840 -0.022 0.000 0.752 419 L CB -1.699 40.301 42.059 -0.098 0.000 0.899 419 L HN 0.865 nan 8.230 nan 0.000 0.433 420 T N -1.364 113.214 114.554 0.039 0.000 2.777 420 T HA -0.228 4.130 4.350 0.012 0.000 0.266 420 T C 1.808 176.546 174.700 0.063 0.000 1.040 420 T CA 1.202 63.322 62.100 0.035 0.000 1.141 420 T CB -0.074 68.810 68.868 0.026 0.000 0.868 420 T HN 0.143 nan 8.240 nan 0.000 0.444 421 Q N 0.082 119.949 119.800 0.111 0.000 2.119 421 Q HA 0.055 4.402 4.340 0.012 0.000 0.201 421 Q C 1.749 177.752 176.000 0.006 0.000 0.972 421 Q CA 1.303 57.160 55.803 0.091 0.000 0.847 421 Q CB -0.554 28.292 28.738 0.180 0.000 0.903 421 Q HN 0.486 nan 8.270 nan 0.000 0.433 422 F N -1.009 118.836 119.950 -0.176 0.000 2.113 422 F HA -0.152 4.382 4.527 0.012 0.000 0.297 422 F C 2.147 177.798 175.800 -0.250 0.000 1.103 422 F CA 1.012 58.790 58.000 -0.370 0.000 1.248 422 F CB -0.546 38.286 39.000 -0.279 0.000 0.999 422 F HN -0.078 nan 8.300 nan 0.000 0.475 423 V N -0.307 119.655 119.914 0.081 0.000 2.295 423 V HA -0.288 3.839 4.120 0.012 0.000 0.246 423 V C 2.162 178.296 176.094 0.067 0.000 1.049 423 V CA 2.087 64.426 62.300 0.065 0.000 1.024 423 V CB -0.687 31.138 31.823 0.004 0.000 0.648 423 V HN 0.295 nan 8.190 nan 0.000 0.447 424 E N 0.136 120.357 120.200 0.036 0.000 2.072 424 E HA -0.156 4.201 4.350 0.012 0.000 0.191 424 E C 2.440 179.059 176.600 0.031 0.000 0.985 424 E CA 1.580 58.008 56.400 0.047 0.000 0.801 424 E CB -0.181 29.537 29.700 0.031 0.000 0.750 424 E HN 0.527 nan 8.360 nan 0.000 0.452 425 S N 0.271 115.933 115.700 -0.064 0.000 2.368 425 S HA -0.084 4.393 4.470 0.012 0.000 0.224 425 S C 1.525 176.173 174.600 0.079 0.000 1.029 425 S CA 0.761 58.900 58.200 -0.102 0.000 0.988 425 S CB -0.157 62.832 63.200 -0.352 0.000 0.838 425 S HN 0.183 nan 8.310 nan 0.000 0.462 426 F N 2.066 122.035 119.950 0.032 0.000 2.558 426 F HA 0.071 4.606 4.527 0.013 0.000 0.298 426 F C 2.483 178.371 175.800 0.146 0.000 1.119 426 F CA 0.336 58.408 58.000 0.121 0.000 1.451 426 F CB -1.443 37.681 39.000 0.208 0.000 1.091 426 F HN 0.139 nan 8.300 nan 0.000 0.563 427 T N -1.006 113.724 114.554 0.294 0.000 3.023 427 T HA -0.045 4.313 4.350 0.012 0.000 0.266 427 T C 2.121 176.929 174.700 0.180 0.000 1.093 427 T CA 0.745 62.975 62.100 0.217 0.000 1.129 427 T CB 0.047 69.025 68.868 0.183 0.000 0.899 427 T HN 0.180 nan 8.240 nan 0.000 0.491 428 R N 0.495 121.089 120.500 0.157 0.000 2.189 428 R HA 0.182 4.529 4.340 0.012 0.000 0.203 428 R C 1.194 177.552 176.300 0.097 0.000 1.012 428 R CA 0.087 56.250 56.100 0.105 0.000 1.015 428 R CB 0.271 30.610 30.300 0.065 0.000 0.938 428 R HN 0.342 nan 8.270 nan 0.000 0.472 429 Q N 1.767 121.649 119.800 0.136 0.000 2.314 429 Q HA 0.151 4.499 4.340 0.012 0.000 0.257 429 Q C -0.617 175.440 176.000 0.095 0.000 0.975 429 Q CA -0.270 55.593 55.803 0.100 0.000 0.933 429 Q CB 0.861 29.676 28.738 0.128 0.000 1.195 429 Q HN 0.081 nan 8.270 nan 0.000 0.426 430 I N 3.457 124.073 120.570 0.077 0.000 2.836 430 I HA 0.267 4.444 4.170 0.012 0.000 0.285 430 I C -0.533 175.683 176.117 0.165 0.000 1.174 430 I CA 0.433 61.799 61.300 0.110 0.000 1.405 430 I CB 0.856 38.931 38.000 0.126 0.000 1.385 430 I HN 0.800 nan 8.210 nan 0.000 0.594 431 A N 5.171 128.088 122.820 0.163 0.000 2.330 431 A HA 0.774 5.101 4.320 0.012 0.000 0.329 431 A C 0.114 177.790 177.584 0.154 0.000 1.135 431 A CA -0.190 51.961 52.037 0.191 0.000 0.817 431 A CB 0.590 19.663 19.000 0.122 0.000 1.269 431 A HN 0.910 nan 8.150 nan 0.000 0.469 432 G N -0.300 108.570 108.800 0.116 0.000 2.636 432 G HA2 0.431 4.398 3.960 0.012 0.000 0.246 432 G HA3 0.431 4.398 3.960 0.012 0.000 0.246 432 G C 0.284 175.046 174.900 -0.230 0.000 1.216 432 G CA -0.415 44.531 45.100 -0.256 0.000 0.854 432 G HN 0.944 nan 8.290 nan 0.000 0.572 433 R N -0.321 119.993 120.500 -0.311 0.000 2.531 433 R HA 0.364 4.711 4.340 0.012 0.000 0.273 433 R C 0.574 176.757 176.300 -0.195 0.000 1.070 433 R CA -0.628 55.314 56.100 -0.263 0.000 1.112 433 R CB 1.078 31.228 30.300 -0.250 0.000 1.049 433 R HN 0.221 nan 8.270 nan 0.000 0.508 434 V N 2.490 122.289 119.914 -0.192 0.000 2.788 434 V HA 0.086 4.213 4.120 0.012 0.000 0.241 434 V C 1.502 177.571 176.094 -0.041 0.000 1.083 434 V CA 1.447 63.694 62.300 -0.090 0.000 1.103 434 V CB 0.166 31.940 31.823 -0.083 0.000 0.800 434 V HN 0.926 nan 8.190 nan 0.000 0.476 435 A N 0.505 123.306 122.820 -0.031 0.000 2.218 435 A HA 0.259 4.586 4.320 0.012 0.000 0.209 435 A C 2.166 179.722 177.584 -0.046 0.000 1.168 435 A CA 1.006 53.034 52.037 -0.014 0.000 0.804 435 A CB -0.616 18.407 19.000 0.039 0.000 0.834 435 A HN 0.480 nan 8.150 nan 0.000 0.482 436 G N -0.106 108.650 108.800 -0.075 0.000 2.422 436 G HA2 0.339 4.306 3.960 0.012 0.000 0.218 436 G HA3 0.339 4.306 3.960 0.012 0.000 0.218 436 G C 0.986 175.849 174.900 -0.061 0.000 1.146 436 G CA 0.843 45.899 45.100 -0.075 0.000 0.769 436 G HN 1.719 nan 8.290 nan 0.000 0.547 437 G N -1.425 107.339 108.800 -0.060 0.000 2.440 437 G HA2 0.134 4.101 3.960 0.012 0.000 0.684 437 G HA3 0.134 4.101 3.960 0.012 0.000 0.684 437 G C 0.031 174.903 174.900 -0.047 0.000 1.309 437 G CA -0.334 44.737 45.100 -0.048 0.000 0.931 437 G HN 0.823 nan 8.290 nan 0.000 0.612 438 R N -0.609 119.871 120.500 -0.033 0.000 2.916 438 R HA -0.234 4.113 4.340 0.012 0.000 0.232 438 R C 0.340 176.623 176.300 -0.028 0.000 0.833 438 R CA 1.076 57.161 56.100 -0.024 0.000 0.566 438 R CB -1.002 29.284 30.300 -0.023 0.000 1.058 438 R HN 0.528 nan 8.270 nan 0.000 0.498 439 N N -0.324 118.362 118.700 -0.023 0.000 2.307 439 N HA 0.090 4.837 4.740 0.012 0.000 0.248 439 N C -0.990 174.536 175.510 0.027 0.000 1.322 439 N CA -0.083 52.950 53.050 -0.028 0.000 0.861 439 N CB 1.141 39.574 38.487 -0.090 0.000 1.303 439 N HN 0.080 nan 8.380 nan 0.000 0.498 440 V N 2.907 122.849 119.914 0.047 0.000 2.408 440 V HA 0.343 4.470 4.120 0.012 0.000 0.267 440 V C -2.004 174.126 176.094 0.059 0.000 1.047 440 V CA -1.489 60.864 62.300 0.088 0.000 0.937 440 V CB 1.060 32.942 31.823 0.099 0.000 0.999 440 V HN 0.113 nan 8.190 nan 0.000 0.472 441 P HA 0.106 nan 4.420 nan 0.000 0.262 441 P C 1.066 178.309 177.300 -0.095 0.000 1.182 441 P CA 0.285 63.376 63.100 -0.015 0.000 0.761 441 P CB 0.513 32.198 31.700 -0.025 0.000 0.795 442 I N 2.318 122.826 120.570 -0.105 0.000 2.614 442 I HA -0.234 3.944 4.170 0.012 0.000 0.258 442 I C 1.977 177.994 176.117 -0.166 0.000 1.189 442 I CA 1.273 62.514 61.300 -0.100 0.000 1.462 442 I CB -0.423 37.539 38.000 -0.065 0.000 1.092 442 I HN 0.382 nan 8.210 nan 0.000 0.442 443 A N -0.184 122.437 122.820 -0.333 0.000 2.172 443 A HA -0.037 4.290 4.320 0.012 0.000 0.216 443 A C 1.798 179.189 177.584 -0.322 0.000 1.154 443 A CA 1.013 52.789 52.037 -0.435 0.000 0.701 443 A CB -0.141 18.258 19.000 -1.001 0.000 0.789 443 A HN 0.285 nan 8.150 nan 0.000 0.465 444 V N 0.337 120.104 119.914 -0.244 0.000 3.017 444 V HA 0.017 4.144 4.120 0.012 0.000 0.354 444 V C 1.568 177.610 176.094 -0.087 0.000 1.389 444 V CA 0.490 62.719 62.300 -0.119 0.000 1.163 444 V CB 0.084 31.877 31.823 -0.051 0.000 1.178 444 V HN 0.866 nan 8.190 nan 0.000 0.547 445 Q N 0.291 120.052 119.800 -0.065 0.000 2.224 445 Q HA -0.056 4.291 4.340 0.012 0.000 0.203 445 Q C 2.018 178.004 176.000 -0.023 0.000 0.970 445 Q CA 1.737 57.523 55.803 -0.029 0.000 0.865 445 Q CB -0.313 28.413 28.738 -0.021 0.000 0.922 445 Q HN 0.531 nan 8.270 nan 0.000 0.445 446 A N 1.454 124.255 122.820 -0.031 0.000 1.877 446 A HA -0.134 4.194 4.320 0.012 0.000 0.216 446 A C 2.397 179.957 177.584 -0.040 0.000 1.186 446 A CA 1.649 53.670 52.037 -0.026 0.000 0.620 446 A CB -0.942 18.046 19.000 -0.020 0.000 0.822 446 A HN 0.253 nan 8.150 nan 0.000 0.443 447 V N -0.032 119.839 119.914 -0.072 0.000 2.282 447 V HA -0.303 3.824 4.120 0.012 0.000 0.249 447 V C 2.998 179.056 176.094 -0.060 0.000 1.057 447 V CA 2.167 64.403 62.300 -0.107 0.000 1.032 447 V CB -1.467 30.169 31.823 -0.312 0.000 0.645 447 V HN 0.621 nan 8.190 nan 0.000 0.447 448 A N -0.708 122.104 122.820 -0.014 0.000 1.930 448 A HA -0.194 4.133 4.320 0.012 0.000 0.217 448 A C 2.379 180.008 177.584 0.076 0.000 1.175 448 A CA 1.857 53.959 52.037 0.108 0.000 0.627 448 A CB -0.457 18.643 19.000 0.167 0.000 0.815 448 A HN 0.476 nan 8.150 nan 0.000 0.443 449 K N -0.258 120.160 120.400 0.030 0.000 2.009 449 K HA -0.142 4.185 4.320 0.012 0.000 0.210 449 K C 2.253 178.838 176.600 -0.024 0.000 1.049 449 K CA 1.289 57.587 56.287 0.019 0.000 0.929 449 K CB -0.336 32.167 32.500 0.004 0.000 0.714 449 K HN 0.384 nan 8.250 nan 0.000 0.440 450 A N 0.811 123.599 122.820 -0.053 0.000 1.908 450 A HA -0.167 4.160 4.320 0.012 0.000 0.218 450 A C 2.196 179.673 177.584 -0.179 0.000 1.181 450 A CA 2.168 54.154 52.037 -0.086 0.000 0.627 450 A CB -0.649 18.309 19.000 -0.069 0.000 0.818 450 A HN 0.358 nan 8.150 nan 0.000 0.445 451 S N 0.057 115.584 115.700 -0.289 0.000 2.365 451 S HA -0.188 4.289 4.470 0.012 0.000 0.225 451 S C 1.813 176.104 174.600 -0.514 0.000 1.039 451 S CA 1.668 59.477 58.200 -0.653 0.000 1.033 451 S CB -0.585 61.863 63.200 -1.253 0.000 0.887 451 S HN 0.565 nan 8.310 nan 0.000 0.447 452 I N 1.840 122.279 120.570 -0.218 0.000 2.127 452 I HA -0.225 3.952 4.170 0.012 0.000 0.241 452 I C 2.163 178.235 176.117 -0.074 0.000 1.075 452 I CA 1.365 62.651 61.300 -0.023 0.000 1.334 452 I CB -0.684 37.378 38.000 0.104 0.000 1.040 452 I HN 0.222 nan 8.210 nan 0.000 0.405 453 D N 0.746 121.106 120.400 -0.068 0.000 2.087 453 D HA -0.216 4.431 4.640 0.012 0.000 0.192 453 D C 2.223 178.480 176.300 -0.073 0.000 0.993 453 D CA 1.418 55.389 54.000 -0.048 0.000 0.828 453 D CB -0.497 40.283 40.800 -0.033 0.000 0.968 453 D HN 0.409 nan 8.370 nan 0.000 0.448 454 Q N 0.434 120.166 119.800 -0.113 0.000 2.152 454 Q HA -0.112 4.236 4.340 0.012 0.000 0.206 454 Q C 2.327 178.222 176.000 -0.174 0.000 0.985 454 Q CA 1.423 57.159 55.803 -0.112 0.000 0.863 454 Q CB -0.063 28.596 28.738 -0.131 0.000 0.904 454 Q HN 0.097 nan 8.270 nan 0.000 0.422 455 S N 0.180 115.685 115.700 -0.326 0.000 2.382 455 S HA -0.132 4.345 4.470 0.012 0.000 0.228 455 S C 1.714 176.183 174.600 -0.219 0.000 1.027 455 S CA 1.098 58.958 58.200 -0.567 0.000 0.991 455 S CB -0.084 62.721 63.200 -0.657 0.000 0.823 455 S HN 0.315 nan 8.310 nan 0.000 0.469 456 R N 0.798 121.251 120.500 -0.078 0.000 2.119 456 R HA 0.086 4.433 4.340 0.012 0.000 0.222 456 R C 2.393 178.727 176.300 0.057 0.000 1.088 456 R CA 0.763 56.882 56.100 0.031 0.000 0.984 456 R CB -0.138 30.184 30.300 0.036 0.000 0.884 456 R HN 0.435 nan 8.270 nan 0.000 0.447 457 E N 0.809 121.028 120.200 0.031 0.000 2.077 457 E HA -0.150 4.208 4.350 0.012 0.000 0.193 457 E C 1.304 177.966 176.600 0.103 0.000 0.989 457 E CA 1.108 57.544 56.400 0.060 0.000 0.800 457 E CB 0.122 29.849 29.700 0.044 0.000 0.746 457 E HN 0.268 nan 8.360 nan 0.000 0.452 458 M N 0.751 120.424 119.600 0.122 0.000 2.639 458 M HA 0.036 4.523 4.480 0.012 0.000 0.220 458 M C -0.375 176.074 176.300 0.248 0.000 1.155 458 M CA 0.187 55.606 55.300 0.199 0.000 1.003 458 M CB 0.401 33.161 32.600 0.267 0.000 1.725 458 M HN -0.184 nan 8.290 nan 0.000 0.489 459 K N -0.222 120.296 120.400 0.197 0.000 3.156 459 K HA -0.205 4.122 4.320 0.012 0.000 0.266 459 K C -0.892 175.852 176.600 0.239 0.000 0.966 459 K CA 0.808 57.200 56.287 0.175 0.000 0.719 459 K CB -2.542 30.023 32.500 0.108 0.000 1.333 459 K HN 0.333 nan 8.250 nan 0.000 0.468 460 Y N 0.806 121.158 120.300 0.088 0.000 2.511 460 Y HA -0.015 4.542 4.550 0.011 0.000 0.347 460 Y C 1.741 177.740 175.900 0.164 0.000 1.257 460 Y CA 0.363 58.559 58.100 0.161 0.000 1.469 460 Y CB 0.493 39.044 38.460 0.153 0.000 1.353 460 Y HN 0.194 nan 8.280 nan 0.000 0.617 461 Q N 0.364 120.354 119.800 0.316 0.000 2.193 461 Q HA 0.345 4.692 4.340 0.012 0.000 0.246 461 Q C -0.140 176.014 176.000 0.257 0.000 0.959 461 Q CA -0.845 55.030 55.803 0.120 0.000 0.904 461 Q CB 1.260 29.874 28.738 -0.206 0.000 1.238 461 Q HN 0.800 nan 8.270 nan 0.000 0.469 462 S N 0.371 116.147 115.700 0.126 0.000 2.572 462 S HA -0.071 4.406 4.470 0.012 0.000 0.267 462 S C 0.997 175.715 174.600 0.196 0.000 1.361 462 S CA -0.313 57.965 58.200 0.131 0.000 1.009 462 S CB 0.388 63.615 63.200 0.044 0.000 0.888 462 S HN 0.687 nan 8.310 nan 0.000 0.553 463 L N 1.881 123.190 121.223 0.143 0.000 2.187 463 L HA -0.062 4.286 4.340 0.012 0.000 0.213 463 L C 1.775 178.710 176.870 0.108 0.000 1.100 463 L CA 1.958 56.890 54.840 0.153 0.000 0.765 463 L CB -1.023 41.080 42.059 0.074 0.000 0.904 463 L HN 0.829 nan 8.230 nan 0.000 0.437 464 N N -1.251 117.470 118.700 0.036 0.000 2.416 464 N HA -0.102 4.645 4.740 0.012 0.000 0.177 464 N C 1.423 176.917 175.510 -0.027 0.000 1.036 464 N CA 0.262 53.300 53.050 -0.020 0.000 0.901 464 N CB 0.137 38.594 38.487 -0.050 0.000 0.976 464 N HN 0.327 nan 8.380 nan 0.000 0.444 465 E N 0.484 120.668 120.200 -0.027 0.000 2.047 465 E HA -0.123 4.234 4.350 0.012 0.000 0.191 465 E C 1.273 177.791 176.600 -0.136 0.000 0.987 465 E CA 1.200 57.524 56.400 -0.127 0.000 0.799 465 E CB -0.289 29.286 29.700 -0.209 0.000 0.752 465 E HN 0.461 nan 8.360 nan 0.000 0.449 466 Y N 0.612 120.931 120.300 0.033 0.000 2.373 466 Y HA -0.038 4.519 4.550 0.011 0.000 0.293 466 Y C 2.503 178.487 175.900 0.141 0.000 1.129 466 Y CA 0.972 59.143 58.100 0.118 0.000 1.226 466 Y CB -0.006 38.536 38.460 0.137 0.000 1.000 466 Y HN -0.037 nan 8.280 nan 0.000 0.549 467 R N 0.016 120.617 120.500 0.168 0.000 2.066 467 R HA -0.147 4.200 4.340 0.012 0.000 0.232 467 R C 2.137 178.461 176.300 0.039 0.000 1.131 467 R CA 1.493 57.632 56.100 0.064 0.000 0.955 467 R CB -0.161 30.087 30.300 -0.088 0.000 0.851 467 R HN 0.188 nan 8.270 nan 0.000 0.432 468 K N 0.017 120.406 120.400 -0.017 0.000 2.057 468 K HA -0.187 4.141 4.320 0.012 0.000 0.207 468 K C 2.074 178.632 176.600 -0.070 0.000 1.049 468 K CA 1.383 57.634 56.287 -0.061 0.000 0.931 468 K CB -0.060 32.381 32.500 -0.097 0.000 0.714 468 K HN -0.107 nan 8.250 nan 0.000 0.440 469 R N 0.173 120.628 120.500 -0.075 0.000 2.120 469 R HA -0.079 4.269 4.340 0.012 0.000 0.234 469 R C 0.714 176.830 176.300 -0.307 0.000 1.123 469 R CA 1.504 57.493 56.100 -0.185 0.000 0.975 469 R CB -0.326 29.858 30.300 -0.193 0.000 0.866 469 R HN 0.095 nan 8.270 nan 0.000 0.446 470 F N 0.675 120.588 119.950 -0.060 0.000 2.730 470 F HA 0.299 4.833 4.527 0.011 0.000 0.295 470 F C 0.399 176.160 175.800 -0.064 0.000 1.143 470 F CA 0.052 57.998 58.000 -0.088 0.000 1.367 470 F CB 0.243 39.187 39.000 -0.093 0.000 0.970 470 F HN -0.064 nan 8.300 nan 0.000 0.514 471 S N 0.705 116.423 115.700 0.031 0.000 3.635 471 S HA -0.181 4.296 4.470 0.012 0.000 0.328 471 S C -0.036 174.592 174.600 0.045 0.000 1.135 471 S CA 0.261 58.489 58.200 0.047 0.000 0.942 471 S CB -1.781 61.478 63.200 0.099 0.000 0.930 471 S HN 0.281 nan 8.310 nan 0.000 0.512 472 L N 0.249 121.486 121.223 0.022 0.000 2.330 472 L HA 0.526 4.873 4.340 0.012 0.000 0.271 472 L C 0.497 177.327 176.870 -0.068 0.000 1.013 472 L CA -0.815 54.012 54.840 -0.021 0.000 0.816 472 L CB 1.188 43.222 42.059 -0.041 0.000 1.287 472 L HN -0.016 nan 8.230 nan 0.000 0.435 473 K N 2.099 122.442 120.400 -0.095 0.000 2.258 473 K HA 0.315 4.643 4.320 0.012 0.000 0.284 473 K C -2.340 174.144 176.600 -0.194 0.000 1.051 473 K CA -1.619 54.605 56.287 -0.104 0.000 0.923 473 K CB 1.088 33.550 32.500 -0.063 0.000 1.046 473 K HN 0.199 nan 8.250 nan 0.000 0.474 474 P HA -0.069 nan 4.420 nan 0.000 0.266 474 P C -1.006 176.210 177.300 -0.140 0.000 1.195 474 P CA 0.234 63.228 63.100 -0.177 0.000 0.768 474 P CB 0.253 31.894 31.700 -0.098 0.000 0.838 475 Y N 0.394 120.656 120.300 -0.062 0.000 2.442 475 Y HA 0.034 4.591 4.550 0.012 0.000 0.330 475 Y C 2.178 178.015 175.900 -0.105 0.000 1.129 475 Y CA 0.047 58.098 58.100 -0.082 0.000 1.365 475 Y CB 0.448 38.840 38.460 -0.113 0.000 1.233 475 Y HN 0.417 nan 8.280 nan 0.000 0.529 476 T N -2.200 112.417 114.554 0.106 0.000 3.065 476 T HA 0.124 4.482 4.350 0.012 0.000 0.252 476 T C 0.254 174.944 174.700 -0.016 0.000 1.099 476 T CA 0.418 62.532 62.100 0.024 0.000 1.063 476 T CB -0.054 68.833 68.868 0.032 0.000 0.948 476 T HN 0.494 nan 8.240 nan 0.000 0.506 477 S N -0.942 114.734 115.700 -0.040 0.000 2.596 477 S HA 0.596 5.074 4.470 0.012 0.000 0.270 477 S C -0.204 174.313 174.600 -0.137 0.000 1.155 477 S CA -0.964 57.203 58.200 -0.056 0.000 0.827 477 S CB 0.443 63.661 63.200 0.029 0.000 1.130 477 S HN -0.039 nan 8.310 nan 0.000 0.467 478 F N 0.994 120.924 119.950 -0.033 0.000 2.407 478 F HA 0.125 4.655 4.527 0.004 0.000 0.299 478 F C 2.423 178.159 175.800 -0.107 0.000 1.097 478 F CA 0.924 58.883 58.000 -0.070 0.000 1.422 478 F CB -0.210 38.775 39.000 -0.024 0.000 1.067 478 F HN 0.673 nan 8.300 nan 0.000 0.539 479 E N 0.020 120.272 120.200 0.087 0.000 2.216 479 E HA -0.202 4.156 4.350 0.012 0.000 0.192 479 E C 1.990 178.550 176.600 -0.067 0.000 0.988 479 E CA 0.849 57.257 56.400 0.014 0.000 0.834 479 E CB -0.126 29.591 29.700 0.028 0.000 0.772 479 E HN 0.533 nan 8.360 nan 0.000 0.479 480 E N 0.839 120.971 120.200 -0.112 0.000 2.216 480 E HA -0.148 4.210 4.350 0.012 0.000 0.192 480 E C 2.133 178.444 176.600 -0.481 0.000 0.988 480 E CA 0.229 56.529 56.400 -0.167 0.000 0.834 480 E CB 0.153 29.822 29.700 -0.052 0.000 0.772 480 E HN 0.101 nan 8.360 nan 0.000 0.479 481 L N 0.903 121.716 121.223 -0.683 0.000 2.023 481 L HA -0.093 4.254 4.340 0.012 0.000 0.205 481 L C 2.477 179.075 176.870 -0.454 0.000 1.073 481 L CA 2.678 56.897 54.840 -1.036 0.000 0.745 481 L CB -0.950 40.714 42.059 -0.658 0.000 0.900 481 L HN 0.261 nan 8.230 nan 0.000 0.435 482 T N -3.855 110.566 114.554 -0.222 0.000 3.014 482 T HA 0.243 4.601 4.350 0.012 0.000 0.263 482 T C 1.635 176.284 174.700 -0.086 0.000 1.078 482 T CA 0.617 62.651 62.100 -0.110 0.000 1.135 482 T CB -0.413 68.429 68.868 -0.044 0.000 0.895 482 T HN 0.801 nan 8.240 nan 0.000 0.480 483 G N 1.607 110.354 108.800 -0.088 0.000 2.159 483 G HA2 -0.204 3.764 3.960 0.012 0.000 0.256 483 G HA3 -0.204 3.764 3.960 0.012 0.000 0.256 483 G C -0.089 174.792 174.900 -0.032 0.000 0.977 483 G CA 0.644 45.713 45.100 -0.052 0.000 0.652 483 G HN 0.965 nan 8.290 nan 0.000 0.531 484 E N -1.795 118.388 120.200 -0.029 0.000 2.469 484 E HA 0.840 5.197 4.350 0.012 0.000 0.237 484 E C 0.897 177.490 176.600 -0.012 0.000 0.840 484 E CA -0.770 55.619 56.400 -0.020 0.000 0.894 484 E CB 0.330 30.017 29.700 -0.022 0.000 1.681 484 E HN 0.009 nan 8.360 nan 0.000 0.401 485 K N -0.620 119.774 120.400 -0.011 0.000 2.403 485 K HA 0.143 4.470 4.320 0.012 0.000 0.199 485 K C 1.695 178.288 176.600 -0.012 0.000 1.199 485 K CA 0.233 56.516 56.287 -0.007 0.000 0.924 485 K CB 0.482 32.978 32.500 -0.006 0.000 1.137 485 K HN 0.520 nan 8.250 nan 0.000 0.510 486 E N 1.607 121.796 120.200 -0.017 0.000 2.015 486 E HA -0.091 4.266 4.350 0.012 0.000 0.191 486 E C 2.007 178.590 176.600 -0.028 0.000 0.991 486 E CA 1.128 57.514 56.400 -0.022 0.000 0.802 486 E CB 0.098 29.785 29.700 -0.021 0.000 0.759 486 E HN 0.113 nan 8.360 nan 0.000 0.447 487 M N 0.188 119.775 119.600 -0.023 0.000 2.159 487 M HA -0.144 4.343 4.480 0.012 0.000 0.263 487 M C 2.317 178.603 176.300 -0.024 0.000 1.063 487 M CA 1.398 56.685 55.300 -0.021 0.000 1.110 487 M CB -0.071 32.521 32.600 -0.014 0.000 1.374 487 M HN 0.215 nan 8.290 nan 0.000 0.411 488 A N 0.270 123.085 122.820 -0.008 0.000 1.902 488 A HA -0.108 4.220 4.320 0.012 0.000 0.217 488 A C 2.325 179.860 177.584 -0.082 0.000 1.181 488 A CA 1.972 54.020 52.037 0.018 0.000 0.623 488 A CB -0.960 18.075 19.000 0.057 0.000 0.818 488 A HN 0.508 nan 8.150 nan 0.000 0.443 489 A N -0.601 122.178 122.820 -0.067 0.000 1.902 489 A HA -0.134 4.193 4.320 0.012 0.000 0.217 489 A C 1.975 179.476 177.584 -0.138 0.000 1.181 489 A CA 1.628 53.611 52.037 -0.091 0.000 0.623 489 A CB -0.417 18.551 19.000 -0.053 0.000 0.818 489 A HN 0.467 nan 8.150 nan 0.000 0.443 490 E N 0.061 120.194 120.200 -0.111 0.000 2.051 490 E HA -0.156 4.201 4.350 0.012 0.000 0.192 490 E C 2.080 178.583 176.600 -0.162 0.000 0.991 490 E CA 1.134 57.469 56.400 -0.108 0.000 0.799 490 E CB -0.414 29.247 29.700 -0.066 0.000 0.748 490 E HN 0.676 nan 8.360 nan 0.000 0.449 491 L N 0.631 121.733 121.223 -0.202 0.000 2.056 491 L HA -0.156 4.192 4.340 0.012 0.000 0.207 491 L C 2.647 179.094 176.870 -0.705 0.000 1.078 491 L CA 1.227 55.913 54.840 -0.257 0.000 0.749 491 L CB -0.366 41.626 42.059 -0.111 0.000 0.901 491 L HN 0.063 nan 8.230 nan 0.000 0.433 492 K N 0.722 120.507 120.400 -1.025 0.000 2.152 492 K HA -0.169 4.158 4.320 0.012 0.000 0.206 492 K C 1.976 178.353 176.600 -0.370 0.000 1.048 492 K CA 1.432 57.136 56.287 -0.971 0.000 0.933 492 K CB -0.098 32.120 32.500 -0.469 0.000 0.721 492 K HN 0.247 nan 8.250 nan 0.000 0.447 493 A N 0.353 123.016 122.820 -0.262 0.000 2.067 493 A HA 0.048 4.375 4.320 0.012 0.000 0.217 493 A C 1.933 179.427 177.584 -0.150 0.000 1.156 493 A CA 0.815 52.761 52.037 -0.151 0.000 0.683 493 A CB -0.255 18.673 19.000 -0.119 0.000 0.808 493 A HN 0.318 nan 8.150 nan 0.000 0.455 494 L N -2.824 118.276 121.223 -0.205 0.000 2.145 494 L HA 0.011 4.358 4.340 0.012 0.000 0.201 494 L C 2.309 179.002 176.870 -0.295 0.000 1.075 494 L CA 0.994 55.670 54.840 -0.274 0.000 0.773 494 L CB -0.303 41.528 42.059 -0.380 0.000 0.936 494 L HN 0.458 nan 8.230 nan 0.000 0.451 495 Y N -1.284 118.982 120.300 -0.056 0.000 2.436 495 Y HA -0.017 4.539 4.550 0.010 0.000 0.288 495 Y C 2.007 177.985 175.900 0.130 0.000 1.112 495 Y CA 0.581 58.736 58.100 0.091 0.000 1.220 495 Y CB 0.448 39.074 38.460 0.277 0.000 1.073 495 Y HN 0.121 nan 8.280 nan 0.000 0.552 496 S N -1.396 114.445 115.700 0.234 0.000 1.402 496 S HA -0.253 4.224 4.470 0.012 0.000 0.247 496 S C -0.053 174.769 174.600 0.369 0.000 0.661 496 S CA 1.237 59.564 58.200 0.212 0.000 1.198 496 S CB -1.326 61.957 63.200 0.139 0.000 1.282 496 S HN 0.485 nan 8.310 nan 0.000 0.501 497 D N 0.884 121.497 120.400 0.354 0.000 2.177 497 D HA 0.561 5.208 4.640 0.012 0.000 0.247 497 D C 0.704 177.089 176.300 0.142 0.000 1.063 497 D CA -0.422 53.717 54.000 0.231 0.000 0.867 497 D CB 1.391 42.270 40.800 0.131 0.000 1.168 497 D HN 0.178 nan 8.370 nan 0.000 0.445 498 I N 2.361 122.816 120.570 -0.192 0.000 2.761 498 I HA -0.090 4.087 4.170 0.012 0.000 0.261 498 I C 0.960 176.913 176.117 -0.273 0.000 1.198 498 I CA 1.016 61.927 61.300 -0.649 0.000 1.482 498 I CB -0.036 37.598 38.000 -0.610 0.000 1.100 498 I HN 0.271 nan 8.210 nan 0.000 0.445 499 D N -0.344 119.987 120.400 -0.115 0.000 2.363 499 D HA 0.042 4.689 4.640 0.012 0.000 0.226 499 D C 1.765 178.053 176.300 -0.020 0.000 1.020 499 D CA 0.502 54.467 54.000 -0.057 0.000 0.892 499 D CB 0.392 41.174 40.800 -0.030 0.000 0.900 499 D HN 0.249 nan 8.370 nan 0.000 0.531 500 V N 0.165 120.078 119.914 -0.002 0.000 3.556 500 V HA 0.124 4.252 4.120 0.012 0.000 0.287 500 V C 0.554 176.630 176.094 -0.030 0.000 1.422 500 V CA -0.251 62.084 62.300 0.058 0.000 1.038 500 V CB 0.243 32.167 31.823 0.168 0.000 0.850 500 V HN 0.097 nan 8.190 nan 0.000 0.437 501 M N 1.809 121.297 119.600 -0.187 0.000 2.248 501 M HA 0.083 4.570 4.480 0.012 0.000 0.343 501 M C 0.233 176.381 176.300 -0.254 0.000 1.243 501 M CA 0.401 55.431 55.300 -0.451 0.000 1.025 501 M CB -0.370 32.028 32.600 -0.338 0.000 1.759 501 M HN 0.292 nan 8.290 nan 0.000 0.452 502 E N 3.617 123.634 120.200 -0.305 0.000 2.313 502 E HA 0.112 4.469 4.350 0.012 0.000 0.272 502 E C 0.625 177.230 176.600 0.008 0.000 1.038 502 E CA -0.570 55.811 56.400 -0.032 0.000 0.863 502 E CB 1.089 30.831 29.700 0.069 0.000 1.060 502 E HN 0.774 nan 8.360 nan 0.000 0.402 503 L N 3.875 125.154 121.223 0.095 0.000 1.943 503 L HA -0.262 4.085 4.340 0.012 0.000 0.215 503 L C 2.074 178.973 176.870 0.048 0.000 1.074 503 L CA 1.954 56.844 54.840 0.083 0.000 0.759 503 L CB -0.817 41.297 42.059 0.092 0.000 0.888 503 L HN 0.731 nan 8.230 nan 0.000 0.433 504 Y N 1.085 121.353 120.300 -0.054 0.000 2.002 504 Y HA -0.247 4.311 4.550 0.013 0.000 0.268 504 Y C -0.513 175.380 175.900 -0.013 0.000 1.177 504 Y CA 2.581 60.640 58.100 -0.068 0.000 1.111 504 Y CB -2.115 36.260 38.460 -0.141 0.000 0.952 504 Y HN 0.280 nan 8.280 nan 0.000 0.491 505 P HA -0.193 nan 4.420 nan 0.000 0.215 505 P C 1.635 178.810 177.300 -0.208 0.000 1.157 505 P CA 2.705 65.618 63.100 -0.312 0.000 0.868 505 P CB -0.515 31.171 31.700 -0.024 0.000 0.788 506 A N -0.629 122.127 122.820 -0.106 0.000 1.958 506 A HA -0.223 4.105 4.320 0.012 0.000 0.221 506 A C 2.263 179.813 177.584 -0.057 0.000 1.178 506 A CA 1.719 53.724 52.037 -0.053 0.000 0.642 506 A CB -1.793 17.202 19.000 -0.008 0.000 0.816 506 A HN 0.145 nan 8.150 nan 0.000 0.453 507 L N -0.925 120.239 121.223 -0.099 0.000 2.056 507 L HA -0.124 4.224 4.340 0.012 0.000 0.207 507 L C 2.302 179.120 176.870 -0.086 0.000 1.078 507 L CA 0.997 55.792 54.840 -0.074 0.000 0.749 507 L CB -0.313 41.709 42.059 -0.062 0.000 0.901 507 L HN 0.386 nan 8.230 nan 0.000 0.433 508 L N -1.719 119.404 121.223 -0.166 0.000 2.478 508 L HA -0.063 4.285 4.340 0.012 0.000 0.223 508 L C 1.942 178.763 176.870 -0.083 0.000 1.140 508 L CA 0.202 54.967 54.840 -0.124 0.000 0.842 508 L CB 0.002 41.941 42.059 -0.199 0.000 0.953 508 L HN 0.068 nan 8.230 nan 0.000 0.452 509 V N -1.108 118.759 119.914 -0.078 0.000 3.645 509 V HA 0.074 4.201 4.120 0.012 0.000 0.275 509 V C 1.166 177.232 176.094 -0.046 0.000 1.356 509 V CA -0.012 62.257 62.300 -0.052 0.000 1.051 509 V CB 0.453 32.255 31.823 -0.036 0.000 0.828 509 V HN 0.279 nan 8.190 nan 0.000 0.441 510 E N 1.790 121.967 120.200 -0.039 0.000 2.437 510 E HA -0.050 4.307 4.350 0.012 0.000 0.263 510 E C 0.296 176.879 176.600 -0.028 0.000 1.030 510 E CA -0.057 56.323 56.400 -0.032 0.000 0.934 510 E CB 0.430 30.146 29.700 0.027 0.000 0.943 510 E HN 0.262 nan 8.360 nan 0.000 0.444 511 K N 5.336 125.709 120.400 -0.044 0.000 2.419 511 K HA 0.094 4.421 4.320 0.012 0.000 0.282 511 K C -2.317 174.291 176.600 0.013 0.000 1.056 511 K CA -1.287 54.985 56.287 -0.025 0.000 1.035 511 K CB 0.317 32.797 32.500 -0.033 0.000 0.921 511 K HN 0.168 nan 8.250 nan 0.000 0.472 512 P HA 0.039 nan 4.420 nan 0.000 0.269 512 P C -0.572 176.748 177.300 0.033 0.000 1.217 512 P CA -0.179 62.926 63.100 0.008 0.000 0.783 512 P CB 0.541 32.219 31.700 -0.038 0.000 0.898 513 R N 2.397 122.935 120.500 0.062 0.000 2.637 513 R HA 0.257 4.604 4.340 0.012 0.000 0.269 513 R C -1.948 174.372 176.300 0.033 0.000 1.089 513 R CA -1.495 54.663 56.100 0.098 0.000 1.177 513 R CB -0.899 29.529 30.300 0.213 0.000 1.091 513 R HN 0.365 nan 8.270 nan 0.000 0.540 514 P HA -0.102 nan 4.420 nan 0.000 0.253 514 P C -0.993 176.284 177.300 -0.039 0.000 1.170 514 P CA 0.864 63.966 63.100 0.003 0.000 0.806 514 P CB 0.167 31.888 31.700 0.036 0.000 0.775 515 D N 0.063 120.431 120.400 -0.053 0.000 3.012 515 D HA -0.199 4.448 4.640 0.012 0.000 0.222 515 D C 0.322 176.544 176.300 -0.130 0.000 1.167 515 D CA 1.528 55.477 54.000 -0.086 0.000 0.854 515 D CB -1.053 39.699 40.800 -0.080 0.000 1.107 515 D HN 0.474 nan 8.370 nan 0.000 0.421 516 A N -0.033 122.714 122.820 -0.121 0.000 2.269 516 A HA 0.687 5.014 4.320 0.012 0.000 0.319 516 A C 1.312 178.747 177.584 -0.249 0.000 1.110 516 A CA -0.347 51.584 52.037 -0.176 0.000 0.847 516 A CB 1.002 19.964 19.000 -0.063 0.000 1.161 516 A HN 0.170 nan 8.150 nan 0.000 0.497 517 I N -1.008 119.299 120.570 -0.438 0.000 3.030 517 I HA 0.205 4.383 4.170 0.012 0.000 0.270 517 I C -0.713 175.103 176.117 -0.501 0.000 1.211 517 I CA 0.410 61.361 61.300 -0.582 0.000 1.479 517 I CB -0.077 37.360 38.000 -0.939 0.000 1.105 517 I HN 0.467 nan 8.210 nan 0.000 0.447 518 F N -0.169 119.647 119.950 -0.223 0.000 2.618 518 F HA 0.661 5.195 4.527 0.011 0.000 0.332 518 F C 0.817 176.562 175.800 -0.092 0.000 1.061 518 F CA -1.288 56.600 58.000 -0.187 0.000 0.974 518 F CB 0.476 39.350 39.000 -0.210 0.000 1.310 518 F HN -0.257 nan 8.300 nan 0.000 0.491 519 G N -0.520 108.382 108.800 0.170 0.000 2.511 519 G HA2 0.286 4.253 3.960 0.012 0.000 0.316 519 G HA3 0.286 4.253 3.960 0.012 0.000 0.316 519 G C 0.508 175.467 174.900 0.099 0.000 1.210 519 G CA -0.343 44.824 45.100 0.112 0.000 0.969 519 G HN 0.694 nan 8.290 nan 0.000 0.492 520 E N -0.757 119.508 120.200 0.110 0.000 2.110 520 E HA -0.151 4.206 4.350 0.012 0.000 0.193 520 E C 2.187 178.801 176.600 0.023 0.000 0.988 520 E CA 1.709 58.157 56.400 0.080 0.000 0.804 520 E CB -0.199 29.568 29.700 0.112 0.000 0.745 520 E HN 0.450 nan 8.360 nan 0.000 0.458 521 T N 1.244 115.816 114.554 0.029 0.000 2.746 521 T HA -0.203 4.154 4.350 0.012 0.000 0.267 521 T C 1.749 176.401 174.700 -0.080 0.000 1.039 521 T CA 1.669 63.756 62.100 -0.022 0.000 1.142 521 T CB -0.261 68.619 68.868 0.020 0.000 0.866 521 T HN 0.161 nan 8.240 nan 0.000 0.444 522 M N 1.219 120.770 119.600 -0.082 0.000 2.080 522 M HA -0.041 4.447 4.480 0.012 0.000 0.260 522 M C 2.095 178.284 176.300 -0.186 0.000 1.068 522 M CA 1.476 56.668 55.300 -0.180 0.000 1.109 522 M CB -0.628 31.772 32.600 -0.333 0.000 1.342 522 M HN 0.066 nan 8.290 nan 0.000 0.405 523 V N -0.071 119.770 119.914 -0.122 0.000 2.548 523 V HA -0.137 3.990 4.120 0.012 0.000 0.249 523 V C 2.289 178.337 176.094 -0.078 0.000 1.055 523 V CA 1.400 63.655 62.300 -0.075 0.000 1.065 523 V CB -0.803 30.988 31.823 -0.053 0.000 0.681 523 V HN 0.395 nan 8.190 nan 0.000 0.462 524 E N -0.145 119.997 120.200 -0.098 0.000 2.216 524 E HA 0.006 4.363 4.350 0.012 0.000 0.192 524 E C 2.093 178.509 176.600 -0.307 0.000 0.988 524 E CA 0.719 57.050 56.400 -0.115 0.000 0.834 524 E CB 0.058 29.726 29.700 -0.054 0.000 0.772 524 E HN 0.431 nan 8.360 nan 0.000 0.479 525 L N -0.889 120.072 121.223 -0.437 0.000 2.221 525 L HA 0.114 4.462 4.340 0.012 0.000 0.202 525 L C 2.270 178.857 176.870 -0.471 0.000 1.074 525 L CA 1.184 55.496 54.840 -0.880 0.000 0.795 525 L CB -0.958 40.738 42.059 -0.605 0.000 0.960 525 L HN 0.139 nan 8.230 nan 0.000 0.458 526 G N -0.052 108.702 108.800 -0.077 0.000 2.408 526 G HA2 -0.165 3.802 3.960 0.012 0.000 0.217 526 G HA3 -0.165 3.802 3.960 0.012 0.000 0.217 526 G C 1.779 176.747 174.900 0.113 0.000 1.150 526 G CA 0.834 46.071 45.100 0.229 0.000 0.776 526 G HN 0.414 nan 8.290 nan 0.000 0.542 527 A N 1.772 124.599 122.820 0.011 0.000 1.883 527 A HA 0.034 4.361 4.320 0.012 0.000 0.217 527 A C 0.797 178.355 177.584 -0.044 0.000 1.186 527 A CA 2.043 54.093 52.037 0.023 0.000 0.624 527 A CB -1.186 17.822 19.000 0.013 0.000 0.822 527 A HN 0.387 nan 8.150 nan 0.000 0.444 528 P HA -0.124 nan 4.420 nan 0.000 0.215 528 P C 1.274 178.480 177.300 -0.157 0.000 1.157 528 P CA 1.089 64.093 63.100 -0.160 0.000 0.863 528 P CB -0.258 31.325 31.700 -0.197 0.000 0.787 529 F N -0.564 119.217 119.950 -0.282 0.000 2.171 529 F HA -0.178 4.357 4.527 0.012 0.000 0.300 529 F C 2.718 178.094 175.800 -0.708 0.000 1.090 529 F CA 1.058 58.706 58.000 -0.587 0.000 1.293 529 F CB -0.684 37.635 39.000 -1.134 0.000 1.013 529 F HN -0.027 nan 8.300 nan 0.000 0.486 530 S N 0.707 116.207 115.700 -0.333 0.000 2.338 530 S HA -0.136 4.341 4.470 0.012 0.000 0.218 530 S C 1.994 176.610 174.600 0.026 0.000 1.032 530 S CA 1.107 59.269 58.200 -0.063 0.000 0.999 530 S CB -0.488 62.855 63.200 0.238 0.000 0.905 530 S HN 0.250 nan 8.310 nan 0.000 0.439 531 L N 1.293 122.546 121.223 0.049 0.000 2.131 531 L HA -0.064 4.284 4.340 0.012 0.000 0.210 531 L C 2.804 179.743 176.870 0.116 0.000 1.092 531 L CA 1.054 55.941 54.840 0.078 0.000 0.759 531 L CB -0.477 41.621 42.059 0.065 0.000 0.903 531 L HN 0.214 nan 8.230 nan 0.000 0.435 532 K N 0.738 121.194 120.400 0.094 0.000 2.032 532 K HA -0.144 4.183 4.320 0.012 0.000 0.209 532 K C 1.958 178.621 176.600 0.104 0.000 1.048 532 K CA 1.794 58.163 56.287 0.136 0.000 0.927 532 K CB -0.747 31.775 32.500 0.037 0.000 0.712 532 K HN 0.362 nan 8.250 nan 0.000 0.441 533 G N 0.019 108.817 108.800 -0.003 0.000 2.572 533 G HA2 -0.104 3.863 3.960 0.012 0.000 0.216 533 G HA3 -0.104 3.863 3.960 0.012 0.000 0.216 533 G C 1.433 176.347 174.900 0.024 0.000 1.133 533 G CA 0.033 45.106 45.100 -0.044 0.000 0.791 533 G HN 0.174 nan 8.290 nan 0.000 0.538 534 L N -0.108 121.158 121.223 0.072 0.000 2.145 534 L HA 0.314 4.661 4.340 0.012 0.000 0.201 534 L C 2.540 179.488 176.870 0.131 0.000 1.075 534 L CA 1.129 56.022 54.840 0.088 0.000 0.773 534 L CB -0.312 41.791 42.059 0.074 0.000 0.936 534 L HN 0.073 nan 8.230 nan 0.000 0.451 535 M N -1.062 118.641 119.600 0.171 0.000 2.447 535 M HA 0.154 4.641 4.480 0.012 0.000 0.264 535 M C 2.043 178.609 176.300 0.443 0.000 1.095 535 M CA 0.799 56.220 55.300 0.200 0.000 1.125 535 M CB -1.681 30.893 32.600 -0.043 0.000 1.389 535 M HN 0.233 nan 8.290 nan 0.000 0.459 536 G N 0.308 109.372 108.800 0.441 0.000 2.559 536 G HA2 -0.149 3.819 3.960 0.012 0.000 0.216 536 G HA3 -0.149 3.819 3.960 0.012 0.000 0.216 536 G C 0.861 175.963 174.900 0.337 0.000 1.126 536 G CA -0.073 45.273 45.100 0.411 0.000 0.778 536 G HN 0.450 nan 8.290 nan 0.000 0.543 537 N N 1.106 119.962 118.700 0.259 0.000 2.458 537 N HA 0.041 4.789 4.740 0.012 0.000 0.258 537 N C -0.950 174.641 175.510 0.135 0.000 1.219 537 N CA -1.234 51.915 53.050 0.165 0.000 0.902 537 N CB 1.942 40.515 38.487 0.142 0.000 1.076 537 N HN -0.077 nan 8.380 nan 0.000 0.455 538 P HA -0.201 nan 4.420 nan 0.000 0.216 538 P C 1.503 178.580 177.300 -0.372 0.000 1.154 538 P CA 1.493 64.436 63.100 -0.263 0.000 0.865 538 P CB -0.235 31.191 31.700 -0.457 0.000 0.789 539 I N -3.257 117.213 120.570 -0.166 0.000 2.800 539 I HA -0.132 4.045 4.170 0.012 0.000 0.266 539 I C 1.653 178.048 176.117 0.463 0.000 1.249 539 I CA 1.446 62.878 61.300 0.221 0.000 1.458 539 I CB -1.190 37.115 38.000 0.507 0.000 1.093 539 I HN -0.146 nan 8.210 nan 0.000 0.466 540 C N 1.053 120.477 119.300 0.208 0.000 2.780 540 C HA 0.241 4.709 4.460 0.012 0.000 0.267 540 C C 1.698 176.704 174.990 0.026 0.000 1.266 540 C CA 0.226 59.300 59.018 0.093 0.000 1.709 540 C CB -1.446 26.373 27.740 0.131 0.000 1.975 540 C HN 0.702 nan 8.230 nan 0.000 0.582 541 S N 2.065 117.635 115.700 -0.217 0.000 2.585 541 S HA 0.180 4.657 4.470 0.012 0.000 0.273 541 S C -1.644 172.954 174.600 -0.004 0.000 1.339 541 S CA -0.559 57.301 58.200 -0.567 0.000 1.028 541 S CB 0.534 63.420 63.200 -0.524 0.000 0.906 541 S HN 0.096 nan 8.310 nan 0.000 0.528 542 P HA -0.149 nan 4.420 nan 0.000 0.215 542 P C 1.601 178.872 177.300 -0.048 0.000 1.157 542 P CA 1.161 64.035 63.100 -0.377 0.000 0.874 542 P CB 0.005 31.284 31.700 -0.702 0.000 0.790 543 Q N -2.034 117.751 119.800 -0.024 0.000 2.291 543 Q HA -0.148 4.200 4.340 0.012 0.000 0.206 543 Q C 1.912 177.872 176.000 -0.066 0.000 0.976 543 Q CA 1.549 57.324 55.803 -0.046 0.000 0.875 543 Q CB -0.682 28.022 28.738 -0.058 0.000 0.927 543 Q HN 0.488 nan 8.270 nan 0.000 0.450 544 Y N -2.271 118.047 120.300 0.030 0.000 2.479 544 Y HA 0.016 4.573 4.550 0.012 0.000 0.283 544 Y C 1.015 177.025 175.900 0.183 0.000 1.109 544 Y CA -0.301 57.832 58.100 0.056 0.000 1.239 544 Y CB 0.283 38.818 38.460 0.125 0.000 1.108 544 Y HN 0.154 nan 8.280 nan 0.000 0.548 545 W N 5.146 126.630 121.300 0.307 0.000 1.839 545 W HA 0.195 4.863 4.660 0.013 0.000 0.489 545 W C -0.708 175.944 176.519 0.222 0.000 0.789 545 W CA 0.273 57.878 57.345 0.433 0.000 1.900 545 W CB -0.593 29.203 29.460 0.560 0.000 1.773 545 W HN 0.088 nan 8.180 nan 0.000 0.251 546 K N 2.755 122.959 120.400 -0.326 0.000 2.587 546 K HA 0.316 4.643 4.320 0.012 0.000 0.276 546 K C -2.646 173.384 176.600 -0.949 0.000 0.956 546 K CA -1.548 54.358 56.287 -0.635 0.000 0.857 546 K CB 1.282 33.618 32.500 -0.275 0.000 1.431 546 K HN -0.264 nan 8.250 nan 0.000 0.420 547 P HA -0.330 nan 4.420 nan 0.000 0.216 547 P C 1.381 178.528 177.300 -0.255 0.000 1.157 547 P CA 2.396 65.169 63.100 -0.544 0.000 0.880 547 P CB -0.012 31.542 31.700 -0.243 0.000 0.791 548 S N -1.781 113.778 115.700 -0.236 0.000 2.402 548 S HA -0.194 4.283 4.470 0.012 0.000 0.233 548 S C 1.824 176.292 174.600 -0.220 0.000 1.030 548 S CA 2.131 60.242 58.200 -0.148 0.000 1.003 548 S CB -2.076 61.040 63.200 -0.140 0.000 0.813 548 S HN 0.160 nan 8.310 nan 0.000 0.477 549 T N 1.197 115.462 114.554 -0.482 0.000 2.915 549 T HA 0.106 4.464 4.350 0.012 0.000 0.269 549 T C 0.539 174.866 174.700 -0.622 0.000 1.071 549 T CA 0.983 62.673 62.100 -0.684 0.000 1.132 549 T CB -0.456 67.752 68.868 -1.100 0.000 0.878 549 T HN 0.633 nan 8.240 nan 0.000 0.479 550 F N 0.396 120.358 119.950 0.020 0.000 2.750 550 F HA 0.492 5.027 4.527 0.012 0.000 0.297 550 F C 1.540 177.449 175.800 0.181 0.000 1.138 550 F CA -0.693 57.380 58.000 0.121 0.000 1.346 550 F CB 0.008 39.102 39.000 0.156 0.000 0.965 550 F HN 0.156 nan 8.300 nan 0.000 0.514 551 G N 0.441 109.430 108.800 0.314 0.000 2.160 551 G HA2 0.106 4.073 3.960 0.012 0.000 0.251 551 G HA3 0.106 4.073 3.960 0.012 0.000 0.251 551 G C 0.580 175.681 174.900 0.334 0.000 1.008 551 G CA 0.086 45.445 45.100 0.433 0.000 0.724 551 G HN 1.251 nan 8.290 nan 0.000 0.514 552 G N -1.493 107.429 108.800 0.202 0.000 2.483 552 G HA2 0.194 4.161 3.960 0.012 0.000 0.521 552 G HA3 0.194 4.161 3.960 0.012 0.000 0.521 552 G C 0.298 175.279 174.900 0.135 0.000 1.278 552 G CA 0.479 45.656 45.100 0.129 0.000 0.965 552 G HN 0.495 nan 8.290 nan 0.000 0.504 553 E N -0.645 119.616 120.200 0.101 0.000 2.338 553 E HA -0.004 4.354 4.350 0.012 0.000 0.197 553 E C 2.734 179.414 176.600 0.133 0.000 1.007 553 E CA 1.219 57.705 56.400 0.143 0.000 0.849 553 E CB -0.048 29.708 29.700 0.094 0.000 0.774 553 E HN 0.401 nan 8.360 nan 0.000 0.506 554 V N 0.249 120.216 119.914 0.088 0.000 2.379 554 V HA -0.112 4.015 4.120 0.012 0.000 0.245 554 V C 2.332 178.487 176.094 0.101 0.000 1.044 554 V CA 1.881 64.216 62.300 0.059 0.000 1.036 554 V CB -0.746 31.078 31.823 0.002 0.000 0.664 554 V HN 0.294 nan 8.190 nan 0.000 0.453 555 G N -0.981 107.916 108.800 0.162 0.000 2.394 555 G HA2 -0.246 3.721 3.960 0.012 0.000 0.215 555 G HA3 -0.246 3.721 3.960 0.012 0.000 0.215 555 G C 1.541 176.577 174.900 0.226 0.000 1.165 555 G CA 0.594 45.822 45.100 0.213 0.000 0.784 555 G HN 0.375 nan 8.290 nan 0.000 0.535 556 F N 1.905 121.882 119.950 0.046 0.000 2.091 556 F HA -0.076 4.458 4.527 0.012 0.000 0.299 556 F C 2.560 178.282 175.800 -0.130 0.000 1.103 556 F CA 1.613 59.537 58.000 -0.126 0.000 1.228 556 F CB -0.376 38.584 39.000 -0.066 0.000 0.984 556 F HN 0.183 nan 8.300 nan 0.000 0.477 557 K N 0.588 121.008 120.400 0.033 0.000 2.103 557 K HA -0.168 4.159 4.320 0.012 0.000 0.207 557 K C 2.102 178.677 176.600 -0.042 0.000 1.048 557 K CA 1.768 58.027 56.287 -0.047 0.000 0.930 557 K CB -0.495 32.008 32.500 0.005 0.000 0.716 557 K HN 0.375 nan 8.250 nan 0.000 0.444 558 I N 0.632 121.204 120.570 0.004 0.000 2.194 558 I HA -0.329 3.849 4.170 0.012 0.000 0.246 558 I C 2.163 178.291 176.117 0.018 0.000 1.093 558 I CA 1.418 62.731 61.300 0.022 0.000 1.355 558 I CB -0.332 37.702 38.000 0.058 0.000 1.046 558 I HN 0.217 nan 8.210 nan 0.000 0.413 559 I N 0.633 121.188 120.570 -0.024 0.000 2.133 559 I HA -0.265 3.912 4.170 0.012 0.000 0.238 559 I C 1.932 178.061 176.117 0.021 0.000 1.074 559 I CA 1.366 62.669 61.300 0.005 0.000 1.342 559 I CB -0.631 37.301 38.000 -0.113 0.000 1.053 559 I HN 0.293 nan 8.210 nan 0.000 0.404 560 N N 0.662 119.287 118.700 -0.127 0.000 2.573 560 N HA -0.097 4.650 4.740 0.012 0.000 0.187 560 N C 1.208 176.702 175.510 -0.027 0.000 1.107 560 N CA 1.546 54.536 53.050 -0.101 0.000 0.918 560 N CB -0.162 38.149 38.487 -0.293 0.000 0.966 560 N HN 0.497 nan 8.380 nan 0.000 0.448 561 T N -3.270 111.277 114.554 -0.012 0.000 3.252 561 T HA 0.549 4.907 4.350 0.012 0.000 0.286 561 T C 0.303 175.013 174.700 0.017 0.000 1.013 561 T CA -0.676 61.425 62.100 0.001 0.000 0.914 561 T CB 0.271 69.132 68.868 -0.011 0.000 1.131 561 T HN 0.070 nan 8.240 nan 0.000 0.529 562 A N 1.615 124.463 122.820 0.047 0.000 2.304 562 A HA 0.852 5.179 4.320 0.012 0.000 0.271 562 A C 0.480 178.086 177.584 0.037 0.000 1.091 562 A CA -0.224 51.845 52.037 0.054 0.000 0.812 562 A CB 0.548 19.615 19.000 0.112 0.000 1.056 562 A HN 1.297 nan 8.150 nan 0.000 0.489 563 S N 0.029 115.730 115.700 0.002 0.000 2.595 563 S HA 0.350 4.828 4.470 0.012 0.000 0.270 563 S C 0.171 174.711 174.600 -0.101 0.000 1.145 563 S CA -0.073 58.104 58.200 -0.037 0.000 0.825 563 S CB 0.224 63.389 63.200 -0.059 0.000 1.107 563 S HN 1.119 nan 8.310 nan 0.000 0.461 564 I N 1.262 121.724 120.570 -0.180 0.000 2.493 564 I HA -0.012 4.165 4.170 0.012 0.000 0.254 564 I C 2.413 178.354 176.117 -0.294 0.000 1.160 564 I CA 1.833 62.958 61.300 -0.290 0.000 1.445 564 I CB -0.546 37.062 38.000 -0.652 0.000 1.086 564 I HN 0.884 nan 8.210 nan 0.000 0.433 565 Q N 0.466 120.097 119.800 -0.282 0.000 2.016 565 Q HA -0.184 4.163 4.340 0.012 0.000 0.200 565 Q C 2.490 178.377 176.000 -0.188 0.000 0.978 565 Q CA 2.588 58.229 55.803 -0.270 0.000 0.833 565 Q CB -0.625 27.963 28.738 -0.249 0.000 0.895 565 Q HN 0.589 nan 8.270 nan 0.000 0.427 566 S N -0.669 114.946 115.700 -0.141 0.000 2.474 566 S HA -0.092 4.385 4.470 0.012 0.000 0.235 566 S C 1.799 176.324 174.600 -0.125 0.000 0.997 566 S CA 0.844 58.980 58.200 -0.107 0.000 0.949 566 S CB -0.334 62.824 63.200 -0.071 0.000 0.766 566 S HN 0.404 nan 8.310 nan 0.000 0.517 567 L N 1.194 122.320 121.223 -0.161 0.000 1.993 567 L HA 0.287 4.634 4.340 0.012 0.000 0.206 567 L C 2.108 178.845 176.870 -0.222 0.000 1.074 567 L CA 1.670 56.375 54.840 -0.225 0.000 0.746 567 L CB -0.619 41.260 42.059 -0.299 0.000 0.896 567 L HN 0.288 nan 8.230 nan 0.000 0.435 568 I N -0.868 119.576 120.570 -0.209 0.000 2.756 568 I HA -0.257 3.921 4.170 0.012 0.000 0.262 568 I C 2.532 178.559 176.117 -0.149 0.000 1.225 568 I CA 0.942 62.130 61.300 -0.186 0.000 1.472 568 I CB -0.404 37.484 38.000 -0.186 0.000 1.094 568 I HN 0.511 nan 8.210 nan 0.000 0.454 569 c N 0.952 119.470 118.600 -0.138 0.000 2.492 569 c HA 0.030 4.607 4.570 0.012 0.000 0.279 569 c C 2.418 176.455 174.090 -0.088 0.000 1.335 569 c CA 0.476 56.744 56.329 -0.102 0.000 1.734 569 c CB -1.012 41.443 42.510 -0.092 0.000 2.027 569 c HN 0.508 nan 8.230 nan 0.000 0.496 570 N N 1.314 119.957 118.700 -0.095 0.000 2.412 570 N HA 0.024 4.771 4.740 0.012 0.000 0.184 570 N C 0.737 176.191 175.510 -0.093 0.000 1.101 570 N CA 0.594 53.596 53.050 -0.081 0.000 0.881 570 N CB -0.351 38.094 38.487 -0.070 0.000 0.969 570 N HN 0.662 nan 8.380 nan 0.000 0.459 571 N N -0.083 118.547 118.700 -0.117 0.000 2.239 571 N HA 0.091 4.838 4.740 0.012 0.000 0.208 571 N C -0.327 175.102 175.510 -0.134 0.000 1.200 571 N CA 0.181 53.152 53.050 -0.131 0.000 0.895 571 N CB 1.819 40.211 38.487 -0.159 0.000 1.085 571 N HN -0.086 nan 8.380 nan 0.000 0.500 572 V N 1.910 121.751 119.914 -0.121 0.000 2.495 572 V HA 0.237 4.364 4.120 0.012 0.000 0.298 572 V C 0.500 176.548 176.094 -0.077 0.000 1.031 572 V CA -1.191 61.045 62.300 -0.107 0.000 0.871 572 V CB 2.529 34.289 31.823 -0.105 0.000 0.988 572 V HN -0.029 nan 8.190 nan 0.000 0.432 573 K N 2.492 122.851 120.400 -0.068 0.000 2.530 573 K HA 0.203 4.530 4.320 0.012 0.000 0.280 573 K C 1.267 177.850 176.600 -0.027 0.000 1.004 573 K CA 1.373 57.633 56.287 -0.045 0.000 1.071 573 K CB 0.009 32.487 32.500 -0.037 0.000 0.876 573 K HN 1.226 nan 8.250 nan 0.000 0.487 574 G N 2.807 111.594 108.800 -0.022 0.000 2.176 574 G HA2 -0.334 3.633 3.960 0.012 0.000 0.253 574 G HA3 -0.334 3.633 3.960 0.012 0.000 0.253 574 G C 0.364 175.259 174.900 -0.009 0.000 0.979 574 G CA -0.090 45.004 45.100 -0.010 0.000 0.641 574 G HN 1.099 nan 8.290 nan 0.000 0.530 575 c N 0.959 119.544 118.600 -0.024 0.000 3.268 575 c HA -0.074 4.503 4.570 0.012 0.000 0.277 575 c C -0.521 173.566 174.090 -0.006 0.000 1.259 575 c CA -0.120 56.192 56.329 -0.029 0.000 2.353 575 c CB -1.687 40.809 42.510 -0.025 0.000 1.482 575 c HN 0.785 nan 8.230 nan 0.000 0.513 576 P HA 0.213 nan 4.420 nan 0.000 0.268 576 P C -0.028 177.301 177.300 0.049 0.000 1.204 576 P CA 0.096 63.218 63.100 0.036 0.000 0.768 576 P CB 0.373 32.087 31.700 0.024 0.000 0.842 577 F N 2.890 122.818 119.950 -0.037 0.000 2.563 577 F HA 0.291 4.825 4.527 0.012 0.000 0.363 577 F C 0.208 175.978 175.800 -0.050 0.000 1.123 577 F CA 1.027 59.000 58.000 -0.044 0.000 1.307 577 F CB 0.642 39.621 39.000 -0.035 0.000 1.115 577 F HN 0.285 nan 8.300 nan 0.000 0.592 578 T N 4.109 118.076 114.554 -0.979 0.000 2.868 578 T HA 0.557 4.914 4.350 0.012 0.000 0.306 578 T C -1.405 172.741 174.700 -0.923 0.000 1.224 578 T CA -0.331 61.365 62.100 -0.672 0.000 1.012 578 T CB 1.430 70.091 68.868 -0.346 0.000 1.221 578 T HN 0.929 nan 8.240 nan 0.000 0.499 579 S N 1.285 116.684 115.700 -0.501 0.000 2.643 579 S HA 0.581 5.058 4.470 0.012 0.000 0.270 579 S C -0.876 173.552 174.600 -0.286 0.000 1.166 579 S CA -0.604 57.350 58.200 -0.409 0.000 0.815 579 S CB 0.730 63.842 63.200 -0.146 0.000 1.139 579 S HN 0.649 nan 8.310 nan 0.000 0.472 580 F N 1.667 121.526 119.950 -0.152 0.000 2.727 580 F HA 0.297 4.832 4.527 0.013 0.000 0.302 580 F C 0.673 176.180 175.800 -0.488 0.000 1.097 580 F CA -0.511 57.359 58.000 -0.216 0.000 1.330 580 F CB 0.283 39.148 39.000 -0.226 0.000 1.084 580 F HN 0.652 nan 8.300 nan 0.000 0.578 581 N N -1.656 116.947 118.700 -0.163 0.000 2.262 581 N HA 0.349 5.096 4.740 0.012 0.000 0.295 581 N C -1.235 174.283 175.510 0.014 0.000 1.161 581 N CA -0.763 52.200 53.050 -0.146 0.000 0.767 581 N CB 1.326 39.760 38.487 -0.089 0.000 1.499 581 N HN -0.276 nan 8.380 nan 0.000 0.476 582 V N 1.984 121.914 119.914 0.028 0.000 2.485 582 V HA 0.047 4.175 4.120 0.012 0.000 0.287 582 V C 0.833 176.958 176.094 0.051 0.000 1.022 582 V CA -0.271 62.063 62.300 0.056 0.000 1.067 582 V CB -0.004 31.845 31.823 0.044 0.000 0.967 582 V HN 0.778 nan 8.190 nan 0.000 0.479 583 Q N 0.000 119.839 119.800 0.064 0.000 2.315 583 Q HA 0.000 4.347 4.340 0.012 0.000 0.214 583 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 583 Q CB 0.000 28.725 28.738 -0.022 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481