REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ntb_1_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 52.078 52.037 0.068 0.000 0.836 33 A CB 0.000 19.048 19.000 0.079 0.000 0.831 34 N N 2.194 120.933 118.700 0.064 0.000 2.452 34 N HA 0.147 4.887 4.740 -0.002 0.000 0.266 34 N C -1.534 174.000 175.510 0.039 0.000 1.209 34 N CA -0.678 52.404 53.050 0.054 0.000 0.929 34 N CB 1.349 39.858 38.487 0.037 0.000 1.063 34 N HN 0.210 nan 8.380 nan 0.000 0.472 35 P HA 0.003 nan 4.420 nan 0.000 0.230 35 P C 0.613 177.876 177.300 -0.063 0.000 1.158 35 P CA 0.613 63.751 63.100 0.063 0.000 0.769 35 P CB 0.148 31.952 31.700 0.174 0.000 0.807 36 c N -1.251 117.308 118.600 -0.068 0.000 2.673 36 c HA 0.144 4.713 4.570 -0.002 0.000 0.274 36 c C 2.623 176.636 174.090 -0.128 0.000 1.276 36 c CA -0.249 55.992 56.329 -0.147 0.000 1.701 36 c CB -2.262 40.198 42.510 -0.083 0.000 1.836 36 c HN 0.343 nan 8.230 nan 0.000 0.596 37 c N 1.406 119.955 118.600 -0.086 0.000 2.435 37 c HA -0.080 4.489 4.570 -0.002 0.000 0.279 37 c C 2.884 176.925 174.090 -0.081 0.000 1.321 37 c CA 1.835 58.127 56.329 -0.062 0.000 1.752 37 c CB -1.233 41.262 42.510 -0.025 0.000 1.959 37 c HN 0.818 nan 8.230 nan 0.000 0.500 38 S N 0.503 116.135 115.700 -0.113 0.000 2.561 38 S HA -0.044 4.425 4.470 -0.002 0.000 0.225 38 S C 0.422 174.939 174.600 -0.138 0.000 0.977 38 S CA 0.454 58.587 58.200 -0.112 0.000 0.926 38 S CB -0.622 62.508 63.200 -0.117 0.000 0.769 38 S HN 0.680 nan 8.310 nan 0.000 0.533 39 N N 1.732 120.329 118.700 -0.171 0.000 2.696 39 N HA -0.088 4.651 4.740 -0.002 0.000 0.256 39 N C -2.047 173.346 175.510 -0.195 0.000 1.031 39 N CA 1.004 53.947 53.050 -0.179 0.000 0.730 39 N CB -1.307 37.090 38.487 -0.150 0.000 0.894 39 N HN 0.464 nan 8.380 nan 0.000 0.544 40 P HA 0.007 nan 4.420 nan 0.000 0.220 40 P C 0.295 177.509 177.300 -0.144 0.000 1.152 40 P CA 0.607 63.553 63.100 -0.256 0.000 0.812 40 P CB 0.188 31.549 31.700 -0.564 0.000 0.792 41 c N 2.815 121.334 118.600 -0.134 0.000 2.627 41 c HA 0.290 4.859 4.570 -0.002 0.000 0.404 41 c C 0.769 174.793 174.090 -0.110 0.000 1.340 41 c CA -0.510 55.778 56.329 -0.069 0.000 1.758 41 c CB -0.942 41.547 42.510 -0.034 0.000 2.501 41 c HN 0.275 nan 8.230 nan 0.000 0.588 42 Q N 1.910 121.633 119.800 -0.129 0.000 2.204 42 Q HA 0.324 4.663 4.340 -0.002 0.000 0.254 42 Q C 0.260 176.100 176.000 -0.267 0.000 0.981 42 Q CA -0.401 55.282 55.803 -0.200 0.000 0.897 42 Q CB 0.616 29.217 28.738 -0.229 0.000 1.273 42 Q HN 0.764 nan 8.270 nan 0.000 0.464 43 N N 1.088 119.594 118.700 -0.322 0.000 2.738 43 N HA -0.225 4.514 4.740 -0.002 0.000 0.249 43 N C -0.737 174.672 175.510 -0.168 0.000 1.047 43 N CA 1.031 53.870 53.050 -0.352 0.000 0.707 43 N CB -0.626 37.360 38.487 -0.836 0.000 0.937 43 N HN 0.716 nan 8.380 nan 0.000 0.545 44 R N -3.279 117.138 120.500 -0.138 0.000 3.878 44 R HA -0.164 4.175 4.340 -0.002 0.000 0.330 44 R C 0.941 177.212 176.300 -0.048 0.000 1.186 44 R CA 1.140 57.184 56.100 -0.093 0.000 0.885 44 R CB -1.972 28.273 30.300 -0.091 0.000 1.377 44 R HN 0.468 nan 8.270 nan 0.000 0.523 45 G N 0.792 109.561 108.800 -0.051 0.000 2.527 45 G HA2 0.283 4.242 3.960 -0.002 0.000 0.248 45 G HA3 0.283 4.242 3.960 -0.002 0.000 0.248 45 G C -0.246 174.652 174.900 -0.003 0.000 1.231 45 G CA -0.425 44.669 45.100 -0.009 0.000 0.838 45 G HN 0.214 nan 8.290 nan 0.000 0.570 46 E N -0.255 119.963 120.200 0.031 0.000 2.151 46 E HA 0.268 4.617 4.350 -0.002 0.000 0.275 46 E C -0.739 175.890 176.600 0.049 0.000 0.936 46 E CA -0.586 55.842 56.400 0.047 0.000 0.777 46 E CB 1.948 31.699 29.700 0.085 0.000 1.108 46 E HN 0.379 nan 8.360 nan 0.000 0.401 47 c N 4.838 123.452 118.600 0.023 0.000 2.435 47 c HA 0.527 5.096 4.570 -0.002 0.000 0.375 47 c C -0.194 173.931 174.090 0.059 0.000 1.281 47 c CA -0.276 56.073 56.329 0.033 0.000 1.963 47 c CB -0.612 41.868 42.510 -0.051 0.000 2.490 47 c HN 0.790 nan 8.230 nan 0.000 0.557 48 M N 5.965 125.618 119.600 0.089 0.000 2.271 48 M HA 0.367 4.846 4.480 -0.002 0.000 0.285 48 M C -0.062 176.285 176.300 0.078 0.000 1.059 48 M CA -0.088 55.252 55.300 0.067 0.000 0.940 48 M CB 1.946 34.577 32.600 0.051 0.000 1.636 48 M HN 0.782 nan 8.290 nan 0.000 0.460 49 S N 2.578 118.305 115.700 0.044 0.000 2.549 49 S HA 0.320 4.789 4.470 -0.002 0.000 0.279 49 S C 0.433 175.025 174.600 -0.012 0.000 1.321 49 S CA 0.047 58.267 58.200 0.034 0.000 1.054 49 S CB 0.362 63.559 63.200 -0.005 0.000 0.899 49 S HN 0.754 nan 8.310 nan 0.000 0.497 50 T N -0.603 113.944 114.554 -0.012 0.000 3.374 50 T HA 0.660 5.009 4.350 -0.002 0.000 0.267 50 T C 0.529 175.190 174.700 -0.065 0.000 0.996 50 T CA -0.161 61.913 62.100 -0.044 0.000 0.977 50 T CB -0.506 68.341 68.868 -0.035 0.000 1.149 50 T HN 1.632 nan 8.240 nan 0.000 0.517 51 G N 0.295 109.025 108.800 -0.117 0.000 2.361 51 G HA2 0.213 4.172 3.960 -0.002 0.000 0.331 51 G HA3 0.213 4.172 3.960 -0.002 0.000 0.331 51 G C -0.332 174.473 174.900 -0.158 0.000 1.324 51 G CA -0.829 44.178 45.100 -0.155 0.000 0.984 51 G HN 0.066 nan 8.290 nan 0.000 0.586 52 F N -0.014 119.949 119.950 0.022 0.000 2.234 52 F HA 0.128 4.654 4.527 -0.002 0.000 0.299 52 F C 1.999 177.821 175.800 0.036 0.000 1.087 52 F CA 1.727 59.742 58.000 0.026 0.000 1.340 52 F CB 0.325 39.337 39.000 0.020 0.000 1.031 52 F HN 0.318 nan 8.300 nan 0.000 0.500 53 D N -1.227 119.295 120.400 0.204 0.000 2.540 53 D HA 0.117 4.756 4.640 -0.002 0.000 0.229 53 D C 0.019 176.394 176.300 0.124 0.000 1.250 53 D CA 0.201 54.290 54.000 0.149 0.000 0.817 53 D CB 0.375 41.252 40.800 0.128 0.000 1.060 53 D HN 0.295 nan 8.370 nan 0.000 0.508 54 Q N 0.400 120.258 119.800 0.097 0.000 2.365 54 Q HA 0.476 4.816 4.340 -0.002 0.000 0.269 54 Q C -1.010 175.047 176.000 0.095 0.000 1.061 54 Q CA -1.019 54.813 55.803 0.049 0.000 0.816 54 Q CB 2.576 31.306 28.738 -0.013 0.000 1.325 54 Q HN 0.144 nan 8.270 nan 0.000 0.446 55 Y N -1.003 119.297 120.300 0.000 0.000 2.633 55 Y HA 0.858 5.407 4.550 -0.002 0.000 0.339 55 Y C -1.197 174.701 175.900 -0.003 0.000 1.045 55 Y CA -1.360 56.737 58.100 -0.005 0.000 1.098 55 Y CB 1.559 40.017 38.460 -0.004 0.000 1.296 55 Y HN 0.423 nan 8.280 nan 0.000 0.494 56 K N 0.804 121.306 120.400 0.169 0.000 2.513 56 K HA 0.606 4.925 4.320 -0.002 0.000 0.251 56 K C -2.267 174.438 176.600 0.174 0.000 0.939 56 K CA -0.265 56.068 56.287 0.076 0.000 0.793 56 K CB 1.580 34.094 32.500 0.024 0.000 1.241 56 K HN 0.950 nan 8.250 nan 0.000 0.431 57 c N 3.097 121.791 118.600 0.156 0.000 2.273 57 c HA 0.407 4.976 4.570 -0.002 0.000 0.328 57 c C -0.597 173.546 174.090 0.088 0.000 1.275 57 c CA -0.763 55.647 56.329 0.135 0.000 1.704 57 c CB 0.357 42.955 42.510 0.148 0.000 2.326 57 c HN 0.748 nan 8.230 nan 0.000 0.517 58 D N 2.021 122.465 120.400 0.074 0.000 2.411 58 D HA 0.208 4.847 4.640 -0.002 0.000 0.225 58 D C 0.311 176.651 176.300 0.067 0.000 1.156 58 D CA -0.227 53.811 54.000 0.063 0.000 0.874 58 D CB 0.669 41.501 40.800 0.054 0.000 1.034 58 D HN 0.654 nan 8.370 nan 0.000 0.502 59 c N 2.849 121.500 118.600 0.084 0.000 2.625 59 c HA 0.137 4.706 4.570 -0.002 0.000 0.285 59 c C 0.862 175.016 174.090 0.107 0.000 1.279 59 c CA -0.384 56.011 56.329 0.109 0.000 1.698 59 c CB -1.548 41.055 42.510 0.155 0.000 1.821 59 c HN 0.506 nan 8.230 nan 0.000 0.600 60 T N 1.740 116.339 114.554 0.075 0.000 2.822 60 T HA 0.045 4.394 4.350 -0.002 0.000 0.288 60 T C 0.982 175.720 174.700 0.063 0.000 0.991 60 T CA 0.603 62.739 62.100 0.060 0.000 1.176 60 T CB -0.036 68.854 68.868 0.037 0.000 0.951 60 T HN 0.613 nan 8.240 nan 0.000 0.526 61 R N 0.246 120.788 120.500 0.071 0.000 3.946 61 R HA -0.231 4.108 4.340 -0.002 0.000 0.329 61 R C 1.713 178.076 176.300 0.106 0.000 1.209 61 R CA 1.222 57.367 56.100 0.076 0.000 0.909 61 R CB -2.243 28.089 30.300 0.053 0.000 1.355 61 R HN 0.929 nan 8.270 nan 0.000 0.539 62 T N -4.763 109.874 114.554 0.139 0.000 3.014 62 T HA 0.189 4.538 4.350 -0.002 0.000 0.263 62 T C 1.537 176.412 174.700 0.292 0.000 1.078 62 T CA 1.025 63.252 62.100 0.211 0.000 1.135 62 T CB 0.614 69.619 68.868 0.229 0.000 0.895 62 T HN 0.680 nan 8.240 nan 0.000 0.480 63 G N 0.576 109.478 108.800 0.169 0.000 2.175 63 G HA2 -0.137 3.822 3.960 -0.002 0.000 0.244 63 G HA3 -0.137 3.822 3.960 -0.002 0.000 0.244 63 G C -0.123 174.628 174.900 -0.247 0.000 0.982 63 G CA -0.041 45.042 45.100 -0.029 0.000 0.641 63 G HN 0.557 nan 8.290 nan 0.000 0.527 64 F N -0.448 119.546 119.950 0.074 0.000 2.611 64 F HA 0.822 5.348 4.527 -0.002 0.000 0.324 64 F C 0.264 176.139 175.800 0.124 0.000 1.061 64 F CA -1.035 56.981 58.000 0.027 0.000 0.954 64 F CB 1.539 40.518 39.000 -0.034 0.000 1.301 64 F HN 0.272 nan 8.300 nan 0.000 0.482 65 Y N -1.053 119.377 120.300 0.216 0.000 2.715 65 Y HA 0.928 5.477 4.550 -0.002 0.000 0.331 65 Y C -0.112 175.857 175.900 0.116 0.000 1.197 65 Y CA -1.624 56.553 58.100 0.129 0.000 1.079 65 Y CB 1.234 39.740 38.460 0.077 0.000 1.298 65 Y HN 1.064 nan 8.280 nan 0.000 0.477 66 G N 0.211 109.191 108.800 0.300 0.000 2.525 66 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.685 66 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.685 66 G C 0.144 175.110 174.900 0.110 0.000 1.290 66 G CA -0.127 45.073 45.100 0.167 0.000 0.915 66 G HN 1.097 nan 8.290 nan 0.000 0.548 67 E N -0.465 119.781 120.200 0.076 0.000 2.118 67 E HA -0.146 4.203 4.350 -0.002 0.000 0.195 67 E C 1.416 178.079 176.600 0.106 0.000 0.992 67 E CA 1.577 58.011 56.400 0.057 0.000 0.804 67 E CB -0.036 29.678 29.700 0.024 0.000 0.741 67 E HN 0.349 nan 8.360 nan 0.000 0.458 68 N N -0.883 117.870 118.700 0.089 0.000 2.235 68 N HA 0.095 4.834 4.740 -0.002 0.000 0.231 68 N C -0.845 174.672 175.510 0.012 0.000 1.177 68 N CA 0.206 53.303 53.050 0.079 0.000 0.874 68 N CB 0.441 38.961 38.487 0.055 0.000 1.097 68 N HN 0.097 nan 8.380 nan 0.000 0.518 69 c N 0.661 119.282 118.600 0.034 0.000 4.056 69 c HA -0.126 4.443 4.570 -0.002 0.000 0.302 69 c C 1.749 175.794 174.090 -0.076 0.000 1.356 69 c CA 1.110 57.456 56.329 0.029 0.000 2.074 69 c CB -2.977 39.545 42.510 0.019 0.000 1.328 69 c HN 0.610 nan 8.230 nan 0.000 0.684 70 T N -4.797 109.732 114.554 -0.041 0.000 2.969 70 T HA 0.143 4.492 4.350 -0.002 0.000 0.250 70 T C 0.364 175.110 174.700 0.077 0.000 1.021 70 T CA 0.687 62.749 62.100 -0.064 0.000 1.003 70 T CB 0.144 68.972 68.868 -0.068 0.000 1.040 70 T HN 0.541 nan 8.240 nan 0.000 0.492 71 T N 5.668 120.180 114.554 -0.070 0.000 2.737 71 T HA 0.418 4.767 4.350 -0.002 0.000 0.296 71 T C -2.622 171.860 174.700 -0.364 0.000 0.922 71 T CA -1.113 60.806 62.100 -0.302 0.000 1.079 71 T CB 1.141 69.601 68.868 -0.681 0.000 0.892 71 T HN 0.254 nan 8.240 nan 0.000 0.514 72 P HA 0.298 nan 4.420 nan 0.000 0.276 72 P C -0.080 177.077 177.300 -0.238 0.000 1.244 72 P CA -0.605 62.226 63.100 -0.449 0.000 0.801 72 P CB 1.146 32.622 31.700 -0.373 0.000 1.006 73 E N 0.215 120.295 120.200 -0.200 0.000 2.369 73 E HA 0.080 4.429 4.350 -0.002 0.000 0.255 73 E C 0.789 177.410 176.600 0.035 0.000 1.172 73 E CA -0.412 56.021 56.400 0.055 0.000 0.932 73 E CB 0.186 29.913 29.700 0.046 0.000 1.040 73 E HN 0.358 nan 8.360 nan 0.000 0.454 74 F N 1.027 120.971 119.950 -0.011 0.000 2.065 74 F HA -0.233 4.293 4.527 -0.002 0.000 0.298 74 F C 1.746 177.520 175.800 -0.044 0.000 1.112 74 F CA 1.553 59.541 58.000 -0.021 0.000 1.212 74 F CB 0.010 39.006 39.000 -0.007 0.000 0.975 74 F HN 0.324 nan 8.300 nan 0.000 0.476 75 L N -0.445 120.862 121.223 0.140 0.000 2.217 75 L HA -0.141 4.198 4.340 -0.002 0.000 0.211 75 L C 2.282 179.105 176.870 -0.077 0.000 1.107 75 L CA 1.647 56.508 54.840 0.034 0.000 0.783 75 L CB -1.075 41.031 42.059 0.078 0.000 0.919 75 L HN 0.112 nan 8.230 nan 0.000 0.442 76 T N -1.350 113.126 114.554 -0.129 0.000 2.777 76 T HA -0.186 4.163 4.350 -0.002 0.000 0.266 76 T C 2.075 176.648 174.700 -0.211 0.000 1.040 76 T CA 1.058 63.023 62.100 -0.225 0.000 1.141 76 T CB -0.139 68.449 68.868 -0.466 0.000 0.868 76 T HN 0.228 nan 8.240 nan 0.000 0.444 77 R N 0.520 120.887 120.500 -0.222 0.000 2.081 77 R HA 0.016 4.355 4.340 -0.002 0.000 0.235 77 R C 2.342 178.531 176.300 -0.184 0.000 1.131 77 R CA 1.149 57.131 56.100 -0.198 0.000 0.960 77 R CB -0.378 29.783 30.300 -0.231 0.000 0.856 77 R HN 0.385 nan 8.270 nan 0.000 0.436 78 I N 0.703 121.139 120.570 -0.223 0.000 2.179 78 I HA -0.279 3.890 4.170 -0.002 0.000 0.242 78 I C 2.182 178.239 176.117 -0.100 0.000 1.088 78 I CA 1.454 62.650 61.300 -0.173 0.000 1.357 78 I CB -0.174 37.721 38.000 -0.174 0.000 1.051 78 I HN 0.138 nan 8.210 nan 0.000 0.409 79 K N 0.323 120.673 120.400 -0.084 0.000 2.097 79 K HA -0.166 4.153 4.320 -0.002 0.000 0.206 79 K C 1.925 178.506 176.600 -0.032 0.000 1.049 79 K CA 1.233 57.491 56.287 -0.048 0.000 0.933 79 K CB -0.137 32.338 32.500 -0.041 0.000 0.717 79 K HN 0.111 nan 8.250 nan 0.000 0.442 80 L N 0.599 121.799 121.223 -0.038 0.000 2.291 80 L HA -0.098 4.241 4.340 -0.002 0.000 0.214 80 L C 1.842 178.700 176.870 -0.020 0.000 1.120 80 L CA 1.021 55.854 54.840 -0.011 0.000 0.799 80 L CB -0.171 41.891 42.059 0.006 0.000 0.925 80 L HN 0.180 nan 8.230 nan 0.000 0.446 81 L N -1.325 119.872 121.223 -0.042 0.000 2.095 81 L HA -0.064 4.275 4.340 -0.002 0.000 0.204 81 L C 2.046 178.896 176.870 -0.033 0.000 1.080 81 L CA 1.189 56.004 54.840 -0.042 0.000 0.759 81 L CB -0.635 41.387 42.059 -0.061 0.000 0.914 81 L HN 0.230 nan 8.230 nan 0.000 0.439 82 L N -0.225 120.978 121.223 -0.033 0.000 2.446 82 L HA 0.004 4.343 4.340 -0.002 0.000 0.219 82 L C 1.243 178.104 176.870 -0.016 0.000 1.116 82 L CA 0.482 55.305 54.840 -0.028 0.000 0.844 82 L CB -0.611 41.428 42.059 -0.033 0.000 0.970 82 L HN 0.207 nan 8.230 nan 0.000 0.457 83 K N 2.723 123.121 120.400 -0.004 0.000 2.378 83 K HA 0.149 4.468 4.320 -0.002 0.000 0.288 83 K C -2.037 174.572 176.600 0.016 0.000 1.057 83 K CA -1.262 55.034 56.287 0.015 0.000 0.971 83 K CB 0.818 33.334 32.500 0.026 0.000 0.975 83 K HN -0.032 nan 8.250 nan 0.000 0.475 84 P HA 0.078 nan 4.420 nan 0.000 0.279 84 P C -0.695 176.629 177.300 0.039 0.000 1.252 84 P CA -0.539 62.575 63.100 0.024 0.000 0.811 84 P CB 0.843 32.557 31.700 0.025 0.000 1.035 85 T N -1.981 112.595 114.554 0.036 0.000 2.898 85 T HA 0.184 4.533 4.350 -0.002 0.000 0.301 85 T C -1.804 172.938 174.700 0.071 0.000 1.049 85 T CA -1.308 60.818 62.100 0.043 0.000 1.095 85 T CB -0.026 68.860 68.868 0.030 0.000 0.976 85 T HN 0.157 nan 8.240 nan 0.000 0.539 86 P HA -0.100 nan 4.420 nan 0.000 0.216 86 P C 1.337 178.722 177.300 0.141 0.000 1.150 86 P CA 0.904 64.067 63.100 0.105 0.000 0.843 86 P CB -0.012 31.738 31.700 0.083 0.000 0.787 87 N N -1.487 117.280 118.700 0.111 0.000 2.188 87 N HA -0.085 4.654 4.740 -0.002 0.000 0.184 87 N C 1.613 177.243 175.510 0.199 0.000 1.018 87 N CA 1.472 54.605 53.050 0.140 0.000 0.858 87 N CB -1.180 37.359 38.487 0.087 0.000 0.989 87 N HN 0.167 nan 8.380 nan 0.000 0.426 88 T N 0.570 115.206 114.554 0.137 0.000 2.812 88 T HA -0.003 4.346 4.350 -0.002 0.000 0.264 88 T C 2.161 176.978 174.700 0.195 0.000 1.042 88 T CA 0.673 62.851 62.100 0.130 0.000 1.140 88 T CB -0.256 68.645 68.868 0.055 0.000 0.870 88 T HN -0.038 nan 8.240 nan 0.000 0.445 89 V N 1.485 121.496 119.914 0.161 0.000 2.343 89 V HA -0.204 3.915 4.120 -0.002 0.000 0.247 89 V C 2.429 178.607 176.094 0.139 0.000 1.051 89 V CA 1.662 64.042 62.300 0.132 0.000 1.036 89 V CB -0.754 31.127 31.823 0.097 0.000 0.654 89 V HN 0.626 nan 8.190 nan 0.000 0.451 90 H N -1.092 118.048 119.070 0.117 0.000 2.387 90 H HA -0.241 4.314 4.556 -0.002 0.000 0.299 90 H C 2.295 177.743 175.328 0.200 0.000 1.090 90 H CA 2.379 58.510 56.048 0.139 0.000 1.332 90 H CB -0.130 29.741 29.762 0.181 0.000 1.386 90 H HN 0.536 nan 8.280 nan 0.000 0.516 91 Y N 1.122 121.552 120.300 0.217 0.000 2.114 91 Y HA -0.205 4.344 4.550 -0.002 0.000 0.284 91 Y C 2.699 178.776 175.900 0.294 0.000 1.143 91 Y CA 2.066 60.303 58.100 0.228 0.000 1.135 91 Y CB -0.453 38.076 38.460 0.115 0.000 0.980 91 Y HN 0.100 nan 8.280 nan 0.000 0.499 92 I N -0.256 120.594 120.570 0.467 0.000 2.286 92 I HA -0.324 3.845 4.170 -0.002 0.000 0.248 92 I C 2.158 178.613 176.117 0.563 0.000 1.115 92 I CA 1.259 62.885 61.300 0.544 0.000 1.392 92 I CB -0.392 37.837 38.000 0.382 0.000 1.065 92 I HN 0.258 nan 8.210 nan 0.000 0.418 93 L N 0.098 121.409 121.223 0.148 0.000 2.217 93 L HA -0.111 4.228 4.340 -0.002 0.000 0.211 93 L C 2.338 179.027 176.870 -0.302 0.000 1.107 93 L CA 1.500 56.166 54.840 -0.290 0.000 0.783 93 L CB -0.512 40.989 42.059 -0.930 0.000 0.919 93 L HN 0.410 nan 8.230 nan 0.000 0.442 94 T N -5.197 109.228 114.554 -0.215 0.000 3.069 94 T HA 0.151 4.500 4.350 -0.002 0.000 0.252 94 T C 0.409 174.927 174.700 -0.303 0.000 1.053 94 T CA -0.176 61.667 62.100 -0.428 0.000 0.964 94 T CB -0.081 68.492 68.868 -0.491 0.000 1.005 94 T HN 0.174 nan 8.240 nan 0.000 0.532 95 H N -0.653 118.433 119.070 0.027 0.000 2.824 95 H HA 0.600 5.155 4.556 -0.002 0.000 0.345 95 H C -0.603 174.905 175.328 0.301 0.000 1.252 95 H CA -1.742 54.267 56.048 -0.065 0.000 1.246 95 H CB 0.512 29.850 29.762 -0.707 0.000 1.908 95 H HN 0.049 nan 8.280 nan 0.000 0.601 96 F N -0.610 119.494 119.950 0.257 0.000 3.039 96 F HA -0.269 4.257 4.527 -0.002 0.000 0.287 96 F C 1.577 177.454 175.800 0.128 0.000 0.956 96 F CA 0.547 58.622 58.000 0.125 0.000 0.971 96 F CB -1.030 37.984 39.000 0.023 0.000 0.943 96 F HN 0.542 nan 8.300 nan 0.000 0.766 97 K N 1.026 121.469 120.400 0.071 0.000 2.103 97 K HA -0.128 4.191 4.320 -0.002 0.000 0.207 97 K C 2.271 178.889 176.600 0.031 0.000 1.048 97 K CA 1.598 57.801 56.287 -0.139 0.000 0.930 97 K CB -0.492 31.674 32.500 -0.557 0.000 0.716 97 K HN 0.585 nan 8.250 nan 0.000 0.444 98 G N 0.072 108.889 108.800 0.029 0.000 2.432 98 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.219 98 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.219 98 G C 1.389 176.309 174.900 0.032 0.000 1.135 98 G CA 0.859 45.977 45.100 0.031 0.000 0.767 98 G HN 0.202 nan 8.290 nan 0.000 0.550 99 V N -0.713 119.209 119.914 0.013 0.000 2.407 99 V HA -0.078 4.041 4.120 -0.002 0.000 0.245 99 V C 2.360 178.382 176.094 -0.120 0.000 1.041 99 V CA 1.325 63.551 62.300 -0.124 0.000 1.040 99 V CB -0.681 30.970 31.823 -0.287 0.000 0.671 99 V HN 0.575 nan 8.190 nan 0.000 0.455 100 W N 0.401 121.759 121.300 0.097 0.000 2.425 100 W HA -0.091 4.569 4.660 -0.002 0.000 0.277 100 W C 2.456 179.035 176.519 0.100 0.000 1.231 100 W CA 1.161 58.586 57.345 0.134 0.000 1.248 100 W CB -0.373 29.216 29.460 0.215 0.000 1.117 100 W HN 0.240 nan 8.180 nan 0.000 0.568 101 N N 0.747 119.598 118.700 0.251 0.000 2.309 101 N HA -0.162 4.577 4.740 -0.002 0.000 0.182 101 N C 1.454 177.028 175.510 0.107 0.000 1.018 101 N CA 1.187 54.326 53.050 0.148 0.000 0.876 101 N CB 0.010 38.548 38.487 0.086 0.000 0.972 101 N HN 0.032 nan 8.380 nan 0.000 0.434 102 I N 0.726 121.344 120.570 0.080 0.000 2.333 102 I HA -0.113 4.056 4.170 -0.002 0.000 0.246 102 I C 2.360 178.514 176.117 0.061 0.000 1.106 102 I CA 0.579 61.907 61.300 0.047 0.000 1.411 102 I CB -1.219 36.784 38.000 0.005 0.000 1.082 102 I HN -0.054 nan 8.210 nan 0.000 0.420 103 V N 1.673 121.640 119.914 0.089 0.000 2.343 103 V HA -0.221 3.898 4.120 -0.002 0.000 0.247 103 V C 1.425 177.638 176.094 0.198 0.000 1.051 103 V CA 1.415 63.793 62.300 0.131 0.000 1.036 103 V CB -0.897 31.051 31.823 0.208 0.000 0.654 103 V HN 0.428 nan 8.190 nan 0.000 0.451 104 N N 0.724 119.564 118.700 0.233 0.000 2.648 104 N HA 0.044 4.783 4.740 -0.002 0.000 0.210 104 N C 0.220 175.779 175.510 0.082 0.000 1.464 104 N CA 0.197 53.332 53.050 0.142 0.000 0.890 104 N CB -1.095 37.450 38.487 0.097 0.000 1.179 104 N HN 0.493 nan 8.380 nan 0.000 0.476 105 I N 0.375 120.981 120.570 0.060 0.000 2.750 105 I HA -0.280 3.889 4.170 -0.002 0.000 0.126 105 I C -1.164 174.978 176.117 0.042 0.000 0.884 105 I CA -0.515 60.819 61.300 0.057 0.000 2.785 105 I CB -0.086 37.915 38.000 0.002 0.000 0.571 105 I HN 0.067 nan 8.210 nan 0.000 0.352 106 P HA -0.203 nan 4.420 nan 0.000 0.217 106 P C 1.444 178.826 177.300 0.138 0.000 1.150 106 P CA 1.489 64.660 63.100 0.117 0.000 0.832 106 P CB 0.052 31.833 31.700 0.136 0.000 0.787 107 F N -0.978 119.016 119.950 0.074 0.000 2.325 107 F HA 0.017 4.543 4.527 -0.002 0.000 0.299 107 F C 1.741 177.591 175.800 0.083 0.000 1.090 107 F CA 0.696 58.738 58.000 0.070 0.000 1.392 107 F CB -1.169 37.863 39.000 0.053 0.000 1.053 107 F HN -0.234 nan 8.300 nan 0.000 0.521 108 L N 1.053 121.780 121.223 -0.827 0.000 2.131 108 L HA 0.120 4.459 4.340 -0.002 0.000 0.206 108 L C 2.755 179.557 176.870 -0.112 0.000 1.087 108 L CA 1.372 55.831 54.840 -0.634 0.000 0.767 108 L CB -0.865 40.809 42.059 -0.642 0.000 0.917 108 L HN 0.228 nan 8.230 nan 0.000 0.441 109 R N -1.320 119.205 120.500 0.043 0.000 2.081 109 R HA -0.131 4.208 4.340 -0.002 0.000 0.235 109 R C 2.193 178.650 176.300 0.262 0.000 1.131 109 R CA 1.686 57.957 56.100 0.285 0.000 0.960 109 R CB -0.155 30.247 30.300 0.170 0.000 0.856 109 R HN 0.328 nan 8.270 nan 0.000 0.436 110 S N 0.855 116.638 115.700 0.138 0.000 2.368 110 S HA -0.119 4.350 4.470 -0.002 0.000 0.224 110 S C 1.699 176.372 174.600 0.121 0.000 1.029 110 S CA 1.034 59.310 58.200 0.126 0.000 0.988 110 S CB -0.262 63.005 63.200 0.113 0.000 0.838 110 S HN 0.275 nan 8.310 nan 0.000 0.462 111 L N 1.838 123.114 121.223 0.089 0.000 2.012 111 L HA -0.043 4.296 4.340 -0.002 0.000 0.210 111 L C 1.902 178.818 176.870 0.076 0.000 1.073 111 L CA 1.672 56.557 54.840 0.075 0.000 0.748 111 L CB -0.485 41.590 42.059 0.027 0.000 0.891 111 L HN 0.298 nan 8.230 nan 0.000 0.431 112 I N -1.599 118.997 120.570 0.043 0.000 2.202 112 I HA -0.290 3.879 4.170 -0.002 0.000 0.242 112 I C 2.424 178.594 176.117 0.088 0.000 1.091 112 I CA 1.383 62.660 61.300 -0.038 0.000 1.368 112 I CB -0.297 37.495 38.000 -0.347 0.000 1.058 112 I HN 0.345 nan 8.210 nan 0.000 0.410 113 M N 1.071 120.822 119.600 0.252 0.000 2.159 113 M HA -0.222 4.257 4.480 -0.002 0.000 0.263 113 M C 2.183 178.578 176.300 0.157 0.000 1.063 113 M CA 1.806 57.280 55.300 0.289 0.000 1.110 113 M CB -0.464 32.321 32.600 0.308 0.000 1.374 113 M HN -0.011 nan 8.290 nan 0.000 0.411 114 K N -1.452 119.023 120.400 0.124 0.000 2.063 114 K HA -0.251 4.068 4.320 -0.002 0.000 0.208 114 K C 2.146 178.803 176.600 0.096 0.000 1.048 114 K CA 1.871 58.205 56.287 0.078 0.000 0.928 114 K CB -0.520 32.029 32.500 0.080 0.000 0.713 114 K HN 0.475 nan 8.250 nan 0.000 0.442 115 Y N 1.182 121.491 120.300 0.016 0.000 2.200 115 Y HA -0.208 4.341 4.550 -0.001 0.000 0.290 115 Y C 1.960 177.872 175.900 0.020 0.000 1.137 115 Y CA 1.667 59.770 58.100 0.006 0.000 1.163 115 Y CB -0.158 38.291 38.460 -0.019 0.000 0.988 115 Y HN 0.014 nan 8.280 nan 0.000 0.518 116 V N -1.252 118.733 119.914 0.119 0.000 2.626 116 V HA -0.212 3.907 4.120 -0.002 0.000 0.252 116 V C 1.921 178.030 176.094 0.024 0.000 1.067 116 V CA 1.874 64.216 62.300 0.070 0.000 1.081 116 V CB -0.863 31.057 31.823 0.162 0.000 0.686 116 V HN 0.464 nan 8.190 nan 0.000 0.468 117 L N 1.286 122.522 121.223 0.021 0.000 2.068 117 L HA -0.044 4.295 4.340 -0.002 0.000 0.204 117 L C 3.027 179.906 176.870 0.015 0.000 1.076 117 L CA 1.873 56.721 54.840 0.014 0.000 0.753 117 L CB -0.962 41.072 42.059 -0.042 0.000 0.910 117 L HN 0.574 nan 8.230 nan 0.000 0.439 118 T N -3.156 111.376 114.554 -0.037 0.000 2.812 118 T HA -0.137 4.213 4.350 -0.002 0.000 0.264 118 T C 2.046 176.704 174.700 -0.071 0.000 1.042 118 T CA 1.193 63.287 62.100 -0.010 0.000 1.140 118 T CB -0.540 68.307 68.868 -0.035 0.000 0.870 118 T HN 0.384 nan 8.240 nan 0.000 0.445 119 S N 1.492 117.024 115.700 -0.281 0.000 2.428 119 S HA 0.020 4.489 4.470 -0.002 0.000 0.230 119 S C 2.232 176.781 174.600 -0.084 0.000 1.014 119 S CA 0.009 58.022 58.200 -0.312 0.000 0.957 119 S CB -0.362 62.416 63.200 -0.703 0.000 0.784 119 S HN 0.270 nan 8.310 nan 0.000 0.499 120 R N 1.613 122.091 120.500 -0.036 0.000 2.075 120 R HA 0.221 4.560 4.340 -0.002 0.000 0.226 120 R C 2.583 178.913 176.300 0.049 0.000 1.114 120 R CA 1.316 57.434 56.100 0.031 0.000 0.972 120 R CB -1.394 28.939 30.300 0.054 0.000 0.869 120 R HN 0.495 nan 8.270 nan 0.000 0.437 121 S N 0.722 116.474 115.700 0.086 0.000 2.419 121 S HA -0.144 4.325 4.470 -0.002 0.000 0.233 121 S C 1.619 176.239 174.600 0.033 0.000 1.016 121 S CA 0.695 58.949 58.200 0.090 0.000 0.974 121 S CB -0.358 62.992 63.200 0.249 0.000 0.786 121 S HN 0.330 nan 8.310 nan 0.000 0.492 122 Y N 1.792 122.055 120.300 -0.062 0.000 2.315 122 Y HA -0.044 4.505 4.550 -0.002 0.000 0.288 122 Y C 1.697 177.525 175.900 -0.121 0.000 1.154 122 Y CA 0.892 58.942 58.100 -0.085 0.000 1.229 122 Y CB -0.119 38.295 38.460 -0.076 0.000 0.980 122 Y HN 0.150 nan 8.280 nan 0.000 0.540 123 L N 0.405 121.584 121.223 -0.072 0.000 2.552 123 L HA -0.017 4.322 4.340 -0.002 0.000 0.227 123 L C 0.064 176.736 176.870 -0.330 0.000 1.146 123 L CA 0.685 55.385 54.840 -0.234 0.000 0.858 123 L CB -0.771 41.171 42.059 -0.195 0.000 0.969 123 L HN 0.098 nan 8.230 nan 0.000 0.451 124 I N 0.286 120.714 120.570 -0.235 0.000 2.336 124 I HA 0.185 4.354 4.170 -0.002 0.000 0.292 124 I C -0.049 175.949 176.117 -0.198 0.000 0.991 124 I CA -0.969 60.219 61.300 -0.187 0.000 1.227 124 I CB 1.134 39.068 38.000 -0.111 0.000 1.366 124 I HN -0.112 nan 8.210 nan 0.000 0.466 125 D N 4.423 124.727 120.400 -0.161 0.000 2.371 125 D HA 0.183 4.822 4.640 -0.002 0.000 0.256 125 D C 0.032 176.245 176.300 -0.144 0.000 1.193 125 D CA 0.476 54.375 54.000 -0.168 0.000 0.881 125 D CB 1.084 41.793 40.800 -0.153 0.000 1.143 125 D HN 0.378 nan 8.370 nan 0.000 0.473 126 S N 2.405 118.005 115.700 -0.168 0.000 2.720 126 S HA 0.407 4.876 4.470 -0.002 0.000 0.278 126 S C -2.658 171.858 174.600 -0.140 0.000 1.172 126 S CA -1.258 56.851 58.200 -0.152 0.000 1.019 126 S CB 0.933 64.009 63.200 -0.206 0.000 1.049 126 S HN 0.046 nan 8.310 nan 0.000 0.483 127 P HA 0.231 nan 4.420 nan 0.000 0.267 127 P C -2.474 174.791 177.300 -0.058 0.000 1.200 127 P CA -0.753 62.329 63.100 -0.029 0.000 0.772 127 P CB -0.076 31.623 31.700 -0.001 0.000 0.855 128 P HA 0.001 nan 4.420 nan 0.000 0.272 128 P C 0.134 177.355 177.300 -0.133 0.000 1.240 128 P CA 0.045 63.091 63.100 -0.089 0.000 0.791 128 P CB 0.672 32.306 31.700 -0.110 0.000 0.978 129 T N -1.506 112.913 114.554 -0.226 0.000 3.479 129 T HA 0.189 4.538 4.350 -0.002 0.000 0.197 129 T C 0.583 175.048 174.700 -0.393 0.000 0.912 129 T CA 0.094 61.932 62.100 -0.438 0.000 1.281 129 T CB -0.832 67.540 68.868 -0.826 0.000 1.588 129 T HN 0.272 nan 8.240 nan 0.000 0.389 130 Y N 3.566 123.821 120.300 -0.075 0.000 2.298 130 Y HA 0.582 5.131 4.550 -0.001 0.000 0.329 130 Y C 0.841 176.675 175.900 -0.111 0.000 1.293 130 Y CA -0.761 57.284 58.100 -0.093 0.000 1.388 130 Y CB 0.540 38.960 38.460 -0.067 0.000 1.309 130 Y HN 0.705 nan 8.280 nan 0.000 0.544 131 N N -2.188 116.530 118.700 0.030 0.000 3.229 131 N HA 0.183 4.922 4.740 -0.002 0.000 0.315 131 N C -0.125 175.338 175.510 -0.079 0.000 1.520 131 N CA -0.748 52.254 53.050 -0.079 0.000 0.769 131 N CB 0.394 38.679 38.487 -0.336 0.000 1.766 131 N HN 0.414 nan 8.380 nan 0.000 0.618 132 V N -0.323 119.520 119.914 -0.120 0.000 2.469 132 V HA -0.206 3.913 4.120 -0.002 0.000 0.251 132 V C 1.105 177.072 176.094 -0.212 0.000 1.064 132 V CA 2.012 64.215 62.300 -0.163 0.000 1.066 132 V CB -0.943 30.734 31.823 -0.244 0.000 0.667 132 V HN 0.701 nan 8.190 nan 0.000 0.461 133 H N -3.039 115.977 119.070 -0.091 0.000 2.575 133 H HA 0.256 4.811 4.556 -0.002 0.000 0.267 133 H C -0.539 174.432 175.328 -0.596 0.000 0.966 133 H CA 0.012 55.904 56.048 -0.260 0.000 1.165 133 H CB 0.370 30.008 29.762 -0.206 0.000 1.433 133 H HN 0.482 nan 8.280 nan 0.000 0.544 134 Y N -0.335 119.869 120.300 -0.160 0.000 2.332 134 Y HA 0.320 4.869 4.550 -0.002 0.000 0.326 134 Y C 0.910 176.676 175.900 -0.224 0.000 0.978 134 Y CA -0.848 57.042 58.100 -0.351 0.000 1.205 134 Y CB 1.928 40.111 38.460 -0.462 0.000 1.131 134 Y HN 0.081 nan 8.280 nan 0.000 0.462 135 G N 2.353 111.079 108.800 -0.124 0.000 3.042 135 G HA2 0.076 4.035 3.960 -0.002 0.000 0.212 135 G HA3 0.076 4.035 3.960 -0.002 0.000 0.212 135 G C -0.340 174.608 174.900 0.081 0.000 1.166 135 G CA 0.210 45.247 45.100 -0.104 0.000 0.767 135 G HN 0.570 nan 8.290 nan 0.000 0.546 136 Y N -1.980 118.511 120.300 0.318 0.000 2.570 136 Y HA 0.730 5.279 4.550 -0.002 0.000 0.345 136 Y C -0.089 175.996 175.900 0.310 0.000 1.014 136 Y CA -2.244 56.067 58.100 0.352 0.000 1.063 136 Y CB 1.153 39.733 38.460 0.200 0.000 1.272 136 Y HN -0.262 nan 8.280 nan 0.000 0.477 137 K N 2.022 122.608 120.400 0.310 0.000 2.368 137 K HA 0.483 4.802 4.320 -0.002 0.000 0.282 137 K C -0.493 176.186 176.600 0.132 0.000 1.035 137 K CA 0.149 56.462 56.287 0.042 0.000 0.973 137 K CB 0.606 33.076 32.500 -0.050 0.000 0.957 137 K HN 0.913 nan 8.250 nan 0.000 0.474 138 S N 1.258 116.933 115.700 -0.041 0.000 2.596 138 S HA 0.205 4.674 4.470 -0.002 0.000 0.270 138 S C 0.084 174.667 174.600 -0.030 0.000 1.155 138 S CA -1.119 57.069 58.200 -0.020 0.000 0.827 138 S CB 0.605 63.680 63.200 -0.208 0.000 1.130 138 S HN 0.883 nan 8.310 nan 0.000 0.467 139 W N 1.190 122.438 121.300 -0.087 0.000 2.388 139 W HA -0.075 4.584 4.660 -0.002 0.000 0.294 139 W C 1.620 178.124 176.519 -0.025 0.000 1.212 139 W CA 2.188 59.528 57.345 -0.008 0.000 1.271 139 W CB -0.140 29.327 29.460 0.012 0.000 1.126 139 W HN 1.046 nan 8.180 nan 0.000 0.535 140 E N 1.005 121.166 120.200 -0.066 0.000 2.085 140 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 140 E C 2.175 178.571 176.600 -0.340 0.000 0.994 140 E CA 2.464 58.758 56.400 -0.177 0.000 0.801 140 E CB -0.715 28.857 29.700 -0.213 0.000 0.743 140 E HN 0.098 nan 8.360 nan 0.000 0.453 141 A N -0.321 122.171 122.820 -0.547 0.000 1.930 141 A HA -0.093 4.226 4.320 -0.002 0.000 0.217 141 A C 2.180 179.563 177.584 -0.335 0.000 1.175 141 A CA 1.376 53.126 52.037 -0.477 0.000 0.627 141 A CB -0.865 17.859 19.000 -0.460 0.000 0.815 141 A HN 0.482 nan 8.150 nan 0.000 0.443 142 F N 1.766 121.427 119.950 -0.483 0.000 2.128 142 F HA -0.123 4.403 4.527 -0.002 0.000 0.295 142 F C 2.640 178.113 175.800 -0.545 0.000 1.100 142 F CA 2.037 59.715 58.000 -0.536 0.000 1.260 142 F CB -0.374 38.210 39.000 -0.694 0.000 1.009 142 F HN 0.275 nan 8.300 nan 0.000 0.476 143 S N -0.426 114.788 115.700 -0.810 0.000 2.414 143 S HA -0.071 4.398 4.470 -0.002 0.000 0.227 143 S C 1.038 175.403 174.600 -0.392 0.000 1.022 143 S CA 0.288 58.044 58.200 -0.740 0.000 0.958 143 S CB -0.848 62.062 63.200 -0.484 0.000 0.797 143 S HN 0.376 nan 8.310 nan 0.000 0.493 144 N N 1.923 120.499 118.700 -0.206 0.000 2.402 144 N HA 0.201 4.940 4.740 -0.002 0.000 0.259 144 N C 0.465 175.990 175.510 0.026 0.000 1.167 144 N CA -0.056 53.006 53.050 0.020 0.000 0.949 144 N CB 0.361 39.018 38.487 0.285 0.000 1.212 144 N HN 0.410 nan 8.380 nan 0.000 0.493 145 L N 1.662 122.870 121.223 -0.024 0.000 2.478 145 L HA -0.025 4.315 4.340 -0.002 0.000 0.223 145 L C 1.839 178.810 176.870 0.167 0.000 1.140 145 L CA 0.323 55.178 54.840 0.025 0.000 0.842 145 L CB -0.061 42.006 42.059 0.012 0.000 0.953 145 L HN 0.399 nan 8.230 nan 0.000 0.452 146 S N -1.461 114.295 115.700 0.094 0.000 2.481 146 S HA -0.039 4.430 4.470 -0.002 0.000 0.231 146 S C 0.406 175.005 174.600 -0.000 0.000 0.996 146 S CA 0.508 58.732 58.200 0.041 0.000 0.942 146 S CB -0.188 63.035 63.200 0.038 0.000 0.768 146 S HN 0.239 nan 8.310 nan 0.000 0.520 147 Y N 0.405 120.701 120.300 -0.008 0.000 2.299 147 Y HA 0.310 4.859 4.550 -0.002 0.000 0.326 147 Y C 0.122 175.961 175.900 -0.102 0.000 1.164 147 Y CA -1.010 56.970 58.100 -0.201 0.000 1.234 147 Y CB 0.342 38.692 38.460 -0.183 0.000 1.219 147 Y HN 0.049 nan 8.280 nan 0.000 0.497 148 Y N 1.157 121.519 120.300 0.104 0.000 2.411 148 Y HA 0.062 4.612 4.550 -0.001 0.000 0.333 148 Y C 1.027 176.969 175.900 0.070 0.000 1.186 148 Y CA 0.008 58.180 58.100 0.121 0.000 1.381 148 Y CB 0.568 39.057 38.460 0.050 0.000 1.273 148 Y HN 0.543 nan 8.280 nan 0.000 0.546 149 T N 3.633 118.320 114.554 0.222 0.000 2.754 149 T HA 0.415 4.764 4.350 -0.002 0.000 0.286 149 T C -0.282 174.486 174.700 0.114 0.000 0.997 149 T CA -0.681 61.476 62.100 0.096 0.000 0.982 149 T CB 0.315 69.200 68.868 0.029 0.000 1.027 149 T HN 0.438 nan 8.240 nan 0.000 0.529 150 R N 0.966 121.534 120.500 0.113 0.000 2.575 150 R HA 0.553 4.892 4.340 -0.002 0.000 0.293 150 R C 0.703 177.137 176.300 0.224 0.000 0.983 150 R CA -0.470 55.713 56.100 0.138 0.000 0.887 150 R CB 1.451 31.811 30.300 0.099 0.000 1.184 150 R HN 0.718 nan 8.270 nan 0.000 0.445 151 A N 3.735 126.738 122.820 0.306 0.000 1.930 151 A HA 0.087 4.406 4.320 -0.002 0.000 0.217 151 A C 0.742 178.453 177.584 0.213 0.000 1.175 151 A CA 1.033 53.288 52.037 0.363 0.000 0.627 151 A CB 0.142 19.564 19.000 0.704 0.000 0.815 151 A HN 0.486 nan 8.150 nan 0.000 0.443 152 L N 0.452 121.763 121.223 0.146 0.000 2.362 152 L HA 0.377 4.716 4.340 -0.002 0.000 0.271 152 L C -2.457 174.310 176.870 -0.172 0.000 1.002 152 L CA -2.630 52.131 54.840 -0.131 0.000 0.818 152 L CB 2.399 44.146 42.059 -0.520 0.000 1.298 152 L HN 0.038 nan 8.230 nan 0.000 0.420 153 P HA 0.125 nan 4.420 nan 0.000 0.269 153 P C -2.662 174.489 177.300 -0.249 0.000 1.215 153 P CA -1.197 61.610 63.100 -0.488 0.000 0.780 153 P CB -0.270 30.912 31.700 -0.863 0.000 0.898 154 P HA 0.006 nan 4.420 nan 0.000 0.272 154 P C -0.192 177.068 177.300 -0.066 0.000 1.223 154 P CA 0.034 63.096 63.100 -0.064 0.000 0.784 154 P CB 0.341 32.026 31.700 -0.026 0.000 0.923 155 V N 1.927 121.830 119.914 -0.018 0.000 2.585 155 V HA 0.128 4.247 4.120 -0.002 0.000 0.296 155 V C 1.249 177.344 176.094 0.001 0.000 1.035 155 V CA -0.076 62.216 62.300 -0.013 0.000 1.084 155 V CB -0.220 31.614 31.823 0.018 0.000 0.953 155 V HN 0.740 nan 8.190 nan 0.000 0.483 156 A N 3.837 126.655 122.820 -0.003 0.000 2.520 156 A HA 0.098 4.417 4.320 -0.002 0.000 0.235 156 A C 1.206 178.807 177.584 0.029 0.000 1.065 156 A CA -0.234 51.813 52.037 0.017 0.000 0.764 156 A CB -0.038 18.976 19.000 0.022 0.000 1.002 156 A HN 0.905 nan 8.150 nan 0.000 0.502 157 D N 0.665 121.088 120.400 0.038 0.000 2.218 157 D HA -0.143 4.496 4.640 -0.002 0.000 0.204 157 D C 1.062 177.386 176.300 0.040 0.000 0.976 157 D CA 1.761 55.786 54.000 0.042 0.000 0.853 157 D CB -0.000 40.828 40.800 0.048 0.000 0.939 157 D HN 0.787 nan 8.370 nan 0.000 0.481 158 D N -0.281 120.143 120.400 0.040 0.000 2.339 158 D HA -0.055 4.584 4.640 -0.002 0.000 0.217 158 D C 0.197 176.519 176.300 0.035 0.000 1.050 158 D CA -0.253 53.772 54.000 0.040 0.000 0.856 158 D CB -0.742 40.087 40.800 0.049 0.000 0.922 158 D HN 0.004 nan 8.370 nan 0.000 0.518 159 c N 2.847 121.465 118.600 0.030 0.000 2.653 159 c HA 0.133 4.702 4.570 -0.002 0.000 0.421 159 c C -0.262 173.843 174.090 0.026 0.000 1.334 159 c CA -0.998 55.346 56.329 0.024 0.000 1.885 159 c CB 1.063 43.583 42.510 0.016 0.000 2.645 159 c HN 0.290 nan 8.230 nan 0.000 0.601 160 P HA -0.051 nan 4.420 nan 0.000 0.218 160 P C 0.484 177.799 177.300 0.026 0.000 1.149 160 P CA 1.498 64.612 63.100 0.024 0.000 0.817 160 P CB -0.075 31.639 31.700 0.022 0.000 0.785 161 T N -5.639 108.931 114.554 0.027 0.000 2.908 161 T HA 0.464 4.813 4.350 -0.002 0.000 0.290 161 T C -2.366 172.358 174.700 0.040 0.000 1.034 161 T CA -2.280 59.840 62.100 0.034 0.000 1.010 161 T CB 2.195 71.085 68.868 0.037 0.000 1.068 161 T HN -0.324 nan 8.240 nan 0.000 0.481 162 P HA -0.054 nan 4.420 nan 0.000 0.217 162 P C 1.351 178.693 177.300 0.070 0.000 1.148 162 P CA 1.166 64.302 63.100 0.060 0.000 0.828 162 P CB 0.018 31.759 31.700 0.068 0.000 0.783 163 M N -2.936 116.706 119.600 0.071 0.000 2.502 163 M HA 0.280 4.759 4.480 -0.002 0.000 0.243 163 M C 1.386 177.705 176.300 0.032 0.000 1.130 163 M CA 0.772 56.113 55.300 0.068 0.000 1.055 163 M CB -0.506 32.146 32.600 0.086 0.000 1.457 163 M HN 0.095 nan 8.290 nan 0.000 0.488 164 G N 0.222 109.037 108.800 0.025 0.000 1.676 164 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.199 164 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.199 164 G C 0.350 175.255 174.900 0.007 0.000 1.990 164 G CA 0.284 45.386 45.100 0.003 0.000 1.393 164 G HN 0.284 nan 8.290 nan 0.000 0.449 165 V N -1.562 118.355 119.914 0.004 0.000 3.473 165 V HA 0.516 4.635 4.120 -0.002 0.000 0.253 165 V C 0.836 176.943 176.094 0.020 0.000 1.340 165 V CA 1.167 63.472 62.300 0.010 0.000 1.103 165 V CB 0.037 31.860 31.823 -0.000 0.000 0.881 165 V HN 0.391 nan 8.190 nan 0.000 0.451 166 K N 1.677 122.091 120.400 0.024 0.000 2.154 166 K HA 0.577 4.896 4.320 -0.002 0.000 0.264 166 K C 0.607 177.240 176.600 0.055 0.000 1.008 166 K CA 0.722 57.031 56.287 0.037 0.000 0.937 166 K CB 0.888 33.409 32.500 0.036 0.000 1.002 166 K HN 0.768 nan 8.250 nan 0.000 0.469 167 G N 1.591 110.430 108.800 0.064 0.000 2.698 167 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.225 167 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.225 167 G C -0.909 174.023 174.900 0.054 0.000 1.345 167 G CA -0.805 44.342 45.100 0.078 0.000 0.871 167 G HN 0.651 nan 8.290 nan 0.000 0.540 168 N N 0.262 118.991 118.700 0.047 0.000 2.434 168 N HA 0.464 5.204 4.740 -0.002 0.000 0.266 168 N C 1.513 177.038 175.510 0.024 0.000 1.223 168 N CA -0.486 52.581 53.050 0.027 0.000 0.972 168 N CB 0.596 39.090 38.487 0.012 0.000 1.207 168 N HN 0.522 nan 8.380 nan 0.000 0.525 169 K N 0.391 120.801 120.400 0.017 0.000 2.152 169 K HA -0.052 4.267 4.320 -0.002 0.000 0.206 169 K C -0.264 176.344 176.600 0.014 0.000 1.048 169 K CA 1.460 57.757 56.287 0.016 0.000 0.933 169 K CB -0.026 32.481 32.500 0.012 0.000 0.721 169 K HN 0.580 nan 8.250 nan 0.000 0.447 170 E N 0.530 120.733 120.200 0.005 0.000 2.238 170 E HA 0.288 4.637 4.350 -0.002 0.000 0.267 170 E C -0.218 176.372 176.600 -0.017 0.000 0.887 170 E CA -0.599 55.799 56.400 -0.003 0.000 0.769 170 E CB 2.036 31.728 29.700 -0.013 0.000 1.187 170 E HN -0.014 nan 8.360 nan 0.000 0.416 171 L N 2.805 124.019 121.223 -0.015 0.000 2.464 171 L HA 0.210 4.549 4.340 -0.002 0.000 0.264 171 L C -1.892 174.901 176.870 -0.129 0.000 1.199 171 L CA -1.563 53.247 54.840 -0.050 0.000 0.818 171 L CB -0.095 41.973 42.059 0.014 0.000 1.102 171 L HN 0.201 nan 8.230 nan 0.000 0.473 172 P HA -0.049 nan 4.420 nan 0.000 0.267 172 P C -0.822 176.376 177.300 -0.171 0.000 1.200 172 P CA -0.274 62.648 63.100 -0.297 0.000 0.772 172 P CB 0.277 31.622 31.700 -0.592 0.000 0.855 173 D N 1.198 121.527 120.400 -0.118 0.000 2.581 173 D HA -0.076 4.563 4.640 -0.002 0.000 0.238 173 D C 1.067 177.337 176.300 -0.051 0.000 1.145 173 D CA 0.575 54.534 54.000 -0.068 0.000 0.866 173 D CB 0.612 41.380 40.800 -0.054 0.000 1.151 173 D HN 0.312 nan 8.370 nan 0.000 0.500 174 S N 3.887 119.572 115.700 -0.026 0.000 2.419 174 S HA -0.202 4.267 4.470 -0.002 0.000 0.233 174 S C 1.745 176.351 174.600 0.010 0.000 1.016 174 S CA 0.900 59.103 58.200 0.004 0.000 0.974 174 S CB -0.023 63.181 63.200 0.007 0.000 0.786 174 S HN 0.618 nan 8.310 nan 0.000 0.492 175 K N 1.155 121.553 120.400 -0.004 0.000 2.026 175 K HA -0.142 4.177 4.320 -0.002 0.000 0.208 175 K C 2.095 178.694 176.600 -0.002 0.000 1.048 175 K CA 1.636 57.922 56.287 -0.002 0.000 0.929 175 K CB -0.206 32.289 32.500 -0.009 0.000 0.713 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 E N 0.260 120.452 120.200 -0.014 0.000 2.051 176 E HA -0.150 4.200 4.350 -0.002 0.000 0.192 176 E C 1.895 178.493 176.600 -0.004 0.000 0.991 176 E CA 1.338 57.726 56.400 -0.019 0.000 0.799 176 E CB -0.117 29.559 29.700 -0.041 0.000 0.748 176 E HN 0.099 nan 8.360 nan 0.000 0.449 177 V N 0.810 120.729 119.914 0.009 0.000 2.287 177 V HA -0.264 3.856 4.120 -0.002 0.000 0.248 177 V C 2.308 178.435 176.094 0.056 0.000 1.053 177 V CA 1.750 64.084 62.300 0.057 0.000 1.027 177 V CB -0.588 31.303 31.823 0.112 0.000 0.646 177 V HN 0.266 nan 8.190 nan 0.000 0.447 178 L N 0.357 121.611 121.223 0.052 0.000 1.994 178 L HA -0.189 4.150 4.340 -0.002 0.000 0.208 178 L C 2.403 179.291 176.870 0.030 0.000 1.071 178 L CA 2.099 56.969 54.840 0.051 0.000 0.745 178 L CB -0.708 41.380 42.059 0.049 0.000 0.892 178 L HN 0.359 nan 8.230 nan 0.000 0.431 179 E N -0.752 119.458 120.200 0.017 0.000 2.152 179 E HA -0.191 4.158 4.350 -0.002 0.000 0.192 179 E C 2.112 178.714 176.600 0.004 0.000 0.983 179 E CA 1.074 57.479 56.400 0.008 0.000 0.818 179 E CB 0.012 29.713 29.700 0.001 0.000 0.758 179 E HN 0.527 nan 8.360 nan 0.000 0.467 180 K N 0.194 120.596 120.400 0.003 0.000 2.021 180 K HA -0.060 4.259 4.320 -0.002 0.000 0.205 180 K C 2.088 178.686 176.600 -0.004 0.000 1.047 180 K CA 1.513 57.798 56.287 -0.004 0.000 0.943 180 K CB 0.309 32.804 32.500 -0.008 0.000 0.725 180 K HN 0.093 nan 8.250 nan 0.000 0.439 181 V N -2.353 117.563 119.914 0.003 0.000 3.604 181 V HA 0.177 4.296 4.120 -0.002 0.000 0.277 181 V C 1.322 177.411 176.094 -0.008 0.000 1.399 181 V CA 0.097 62.394 62.300 -0.005 0.000 1.034 181 V CB -0.073 31.748 31.823 -0.002 0.000 0.824 181 V HN 0.093 nan 8.190 nan 0.000 0.439 182 L N -0.225 121.000 121.223 0.004 0.000 2.445 182 L HA 0.401 4.740 4.340 -0.002 0.000 0.207 182 L C 1.007 177.887 176.870 0.017 0.000 1.053 182 L CA 0.172 55.016 54.840 0.006 0.000 0.841 182 L CB 0.116 42.191 42.059 0.026 0.000 1.074 182 L HN 0.178 nan 8.230 nan 0.000 0.479 183 L N 1.532 122.766 121.223 0.018 0.000 2.485 183 L HA 0.042 4.381 4.340 -0.002 0.000 0.275 183 L C 0.776 177.655 176.870 0.014 0.000 1.207 183 L CA 0.152 55.004 54.840 0.019 0.000 0.855 183 L CB 0.324 42.391 42.059 0.013 0.000 1.114 183 L HN 0.207 nan 8.230 nan 0.000 0.485 184 R N 2.592 123.106 120.500 0.023 0.000 2.347 184 R HA 0.105 4.444 4.340 -0.002 0.000 0.304 184 R C 0.570 176.884 176.300 0.024 0.000 1.072 184 R CA -0.555 55.561 56.100 0.026 0.000 0.980 184 R CB 0.712 31.046 30.300 0.058 0.000 0.986 184 R HN 0.576 nan 8.270 nan 0.000 0.448 185 R N 2.729 123.239 120.500 0.016 0.000 2.033 185 R HA 0.026 4.365 4.340 -0.002 0.000 0.219 185 R C 0.288 176.607 176.300 0.032 0.000 1.223 185 R CA 1.169 57.279 56.100 0.017 0.000 0.971 185 R CB -0.641 29.662 30.300 0.005 0.000 0.855 185 R HN 0.790 nan 8.270 nan 0.000 0.452 186 E N -0.037 120.183 120.200 0.033 0.000 2.263 186 E HA 0.273 4.622 4.350 -0.002 0.000 0.264 186 E C -1.099 175.554 176.600 0.089 0.000 0.923 186 E CA -0.901 55.539 56.400 0.066 0.000 0.802 186 E CB 1.260 30.991 29.700 0.051 0.000 1.228 186 E HN -0.001 nan 8.360 nan 0.000 0.417 187 F N 2.542 122.484 119.950 -0.014 0.000 2.571 187 F HA 0.197 4.723 4.527 -0.002 0.000 0.384 187 F C -0.514 175.271 175.800 -0.024 0.000 1.058 187 F CA -0.002 57.987 58.000 -0.018 0.000 1.200 187 F CB 0.300 39.286 39.000 -0.024 0.000 1.077 187 F HN 0.356 nan 8.300 nan 0.000 0.558 188 I N 9.440 129.617 120.570 -0.656 0.000 2.306 188 I HA 0.261 4.430 4.170 -0.002 0.000 0.288 188 I C -2.061 173.509 176.117 -0.912 0.000 1.036 188 I CA -2.154 58.804 61.300 -0.569 0.000 1.221 188 I CB 0.854 38.663 38.000 -0.317 0.000 1.385 188 I HN 0.432 nan 8.210 nan 0.000 0.472 189 P HA 0.058 nan 4.420 nan 0.000 0.274 189 P C -0.818 176.311 177.300 -0.285 0.000 1.231 189 P CA -0.290 62.534 63.100 -0.459 0.000 0.790 189 P CB 0.882 32.537 31.700 -0.075 0.000 0.951 190 D N 2.695 122.971 120.400 -0.206 0.000 2.383 190 D HA 0.062 4.701 4.640 -0.002 0.000 0.252 190 D C -1.188 175.014 176.300 -0.164 0.000 1.166 190 D CA -1.933 51.942 54.000 -0.209 0.000 0.879 190 D CB 0.411 41.079 40.800 -0.221 0.000 1.164 190 D HN 0.167 nan 8.370 nan 0.000 0.462 191 P HA -0.132 nan 4.420 nan 0.000 0.223 191 P C 0.885 178.101 177.300 -0.140 0.000 1.151 191 P CA 0.922 63.939 63.100 -0.137 0.000 0.787 191 P CB 0.307 31.926 31.700 -0.136 0.000 0.788 192 Q N -0.945 118.735 119.800 -0.200 0.000 2.378 192 Q HA 0.108 4.447 4.340 -0.002 0.000 0.205 192 Q C 1.175 177.119 176.000 -0.093 0.000 0.954 192 Q CA 0.840 56.515 55.803 -0.214 0.000 0.901 192 Q CB -0.284 28.211 28.738 -0.405 0.000 0.981 192 Q HN 0.308 nan 8.270 nan 0.000 0.483 193 G N 0.733 109.490 108.800 -0.072 0.000 2.141 193 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.231 193 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.231 193 G C -0.034 174.871 174.900 0.007 0.000 0.984 193 G CA 0.138 45.235 45.100 -0.006 0.000 0.660 193 G HN 0.257 nan 8.290 nan 0.000 0.525 194 S N 1.112 116.791 115.700 -0.035 0.000 2.558 194 S HA 0.366 4.835 4.470 -0.002 0.000 0.293 194 S C 0.828 175.440 174.600 0.019 0.000 1.292 194 S CA 0.679 58.815 58.200 -0.106 0.000 1.063 194 S CB 0.637 63.651 63.200 -0.310 0.000 0.831 194 S HN 0.993 nan 8.310 nan 0.000 0.499 195 N N 1.771 120.531 118.700 0.100 0.000 2.725 195 N HA 0.390 5.129 4.740 -0.002 0.000 0.312 195 N C 0.515 176.165 175.510 0.234 0.000 1.295 195 N CA -0.911 52.240 53.050 0.169 0.000 0.914 195 N CB -0.036 38.554 38.487 0.172 0.000 1.177 195 N HN 0.256 nan 8.380 nan 0.000 0.601 196 M N -0.448 119.264 119.600 0.188 0.000 2.419 196 M HA 0.140 4.619 4.480 -0.002 0.000 0.264 196 M C 1.372 177.808 176.300 0.225 0.000 1.082 196 M CA 0.871 56.200 55.300 0.048 0.000 1.119 196 M CB -1.040 31.473 32.600 -0.145 0.000 1.398 196 M HN 0.517 nan 8.290 nan 0.000 0.453 197 M N -1.051 118.805 119.600 0.426 0.000 2.117 197 M HA -0.172 4.307 4.480 -0.002 0.000 0.262 197 M C 2.253 179.030 176.300 0.796 0.000 1.065 197 M CA 1.501 57.170 55.300 0.615 0.000 1.114 197 M CB -1.419 31.464 32.600 0.471 0.000 1.361 197 M HN 0.228 nan 8.290 nan 0.000 0.408 198 F N 1.108 121.369 119.950 0.519 0.000 2.113 198 F HA -0.080 4.446 4.527 -0.001 0.000 0.297 198 F C 2.345 178.336 175.800 0.318 0.000 1.103 198 F CA 1.684 59.879 58.000 0.325 0.000 1.248 198 F CB -0.382 38.684 39.000 0.111 0.000 0.999 198 F HN 0.107 nan 8.300 nan 0.000 0.475 199 A N 0.146 123.138 122.820 0.287 0.000 1.883 199 A HA -0.193 4.126 4.320 -0.002 0.000 0.217 199 A C 2.017 179.586 177.584 -0.025 0.000 1.186 199 A CA 1.916 53.993 52.037 0.066 0.000 0.624 199 A CB -1.506 17.443 19.000 -0.085 0.000 0.822 199 A HN 0.445 nan 8.150 nan 0.000 0.444 200 F N -1.928 118.141 119.950 0.198 0.000 2.367 200 F HA 0.069 4.595 4.527 -0.001 0.000 0.298 200 F C 1.866 177.738 175.800 0.120 0.000 1.094 200 F CA 0.298 58.413 58.000 0.191 0.000 1.409 200 F CB -0.694 38.459 39.000 0.255 0.000 1.064 200 F HN 0.339 nan 8.300 nan 0.000 0.528 201 F N 0.625 120.636 119.950 0.102 0.000 2.113 201 F HA -0.108 4.418 4.527 -0.001 0.000 0.297 201 F C 2.383 178.031 175.800 -0.253 0.000 1.103 201 F CA 1.341 59.112 58.000 -0.381 0.000 1.248 201 F CB -0.480 38.416 39.000 -0.175 0.000 0.999 201 F HN -0.081 nan 8.300 nan 0.000 0.475 202 A N -0.150 122.702 122.820 0.054 0.000 1.883 202 A HA -0.297 4.022 4.320 -0.002 0.000 0.217 202 A C 2.228 179.743 177.584 -0.115 0.000 1.186 202 A CA 2.007 54.070 52.037 0.044 0.000 0.624 202 A CB -1.111 18.004 19.000 0.192 0.000 0.822 202 A HN 0.594 nan 8.150 nan 0.000 0.444 203 Q N -1.505 118.238 119.800 -0.096 0.000 2.046 203 Q HA -0.237 4.102 4.340 -0.002 0.000 0.200 203 Q C 2.185 177.973 176.000 -0.353 0.000 0.975 203 Q CA 1.614 57.276 55.803 -0.234 0.000 0.836 203 Q CB -0.328 28.316 28.738 -0.156 0.000 0.896 203 Q HN 0.887 nan 8.270 nan 0.000 0.428 204 H N -0.439 118.402 119.070 -0.383 0.000 2.293 204 H HA -0.169 4.386 4.556 -0.002 0.000 0.300 204 H C 1.983 177.100 175.328 -0.351 0.000 1.082 204 H CA 1.817 57.612 56.048 -0.422 0.000 1.308 204 H CB -0.353 29.125 29.762 -0.473 0.000 1.375 204 H HN 0.334 nan 8.280 nan 0.000 0.495 205 F N 2.035 121.609 119.950 -0.627 0.000 2.075 205 F HA -0.211 4.315 4.527 -0.002 0.000 0.297 205 F C 2.751 177.943 175.800 -1.014 0.000 1.113 205 F CA 2.542 60.063 58.000 -0.798 0.000 1.218 205 F CB -0.878 37.618 39.000 -0.840 0.000 0.984 205 F HN 0.238 nan 8.300 nan 0.000 0.472 206 T N -2.970 110.867 114.554 -1.196 0.000 2.995 206 T HA -0.164 4.185 4.350 -0.002 0.000 0.269 206 T C 1.394 175.132 174.700 -1.603 0.000 1.091 206 T CA 1.491 62.468 62.100 -1.872 0.000 1.128 206 T CB -0.906 67.204 68.868 -1.264 0.000 0.891 206 T HN 0.386 nan 8.240 nan 0.000 0.492 207 H N 1.722 120.195 119.070 -0.995 0.000 2.553 207 H HA 0.158 4.713 4.556 -0.002 0.000 0.269 207 H C 2.316 177.205 175.328 -0.731 0.000 1.011 207 H CA 0.714 56.392 56.048 -0.617 0.000 1.150 207 H CB -0.220 29.440 29.762 -0.170 0.000 1.339 207 H HN 0.762 nan 8.280 nan 0.000 0.604 208 Q N -0.378 118.796 119.800 -1.043 0.000 2.302 208 Q HA -0.037 4.302 4.340 -0.002 0.000 0.202 208 Q C 0.782 176.394 176.000 -0.648 0.000 0.936 208 Q CA 0.875 56.156 55.803 -0.871 0.000 0.886 208 Q CB -0.035 28.033 28.738 -1.118 0.000 0.986 208 Q HN 0.516 nan 8.270 nan 0.000 0.487 209 F N -2.293 117.246 119.950 -0.686 0.000 2.712 209 F HA 0.455 4.981 4.527 -0.002 0.000 0.297 209 F C -0.012 175.550 175.800 -0.398 0.000 1.114 209 F CA -1.114 56.541 58.000 -0.575 0.000 1.305 209 F CB 0.202 38.834 39.000 -0.613 0.000 1.086 209 F HN -0.217 nan 8.300 nan 0.000 0.599 210 F N 3.832 123.545 119.950 -0.395 0.000 2.406 210 F HA 0.459 4.985 4.527 -0.002 0.000 0.358 210 F C 0.024 175.609 175.800 -0.359 0.000 1.161 210 F CA -1.436 56.383 58.000 -0.301 0.000 1.185 210 F CB 0.231 38.907 39.000 -0.540 0.000 1.421 210 F HN -0.021 nan 8.300 nan 0.000 0.576 211 K N 1.805 122.201 120.400 -0.006 0.000 2.827 211 K HA 0.203 4.522 4.320 -0.002 0.000 0.186 211 K C -0.368 176.176 176.600 -0.094 0.000 1.093 211 K CA -0.314 55.901 56.287 -0.121 0.000 0.993 211 K CB 1.039 33.424 32.500 -0.191 0.000 1.199 211 K HN 0.277 nan 8.250 nan 0.000 0.598 212 T N 1.405 115.918 114.554 -0.068 0.000 2.867 212 T HA -0.046 4.303 4.350 -0.002 0.000 0.297 212 T C 0.138 174.617 174.700 -0.367 0.000 0.989 212 T CA 0.248 62.242 62.100 -0.177 0.000 1.159 212 T CB 0.318 69.005 68.868 -0.301 0.000 0.928 212 T HN 0.243 nan 8.240 nan 0.000 0.538 213 D N 1.917 122.173 120.400 -0.240 0.000 2.470 213 D HA 0.022 4.661 4.640 -0.002 0.000 0.226 213 D C 1.196 177.397 176.300 -0.165 0.000 1.196 213 D CA -0.275 53.620 54.000 -0.175 0.000 0.979 213 D CB 0.102 40.824 40.800 -0.129 0.000 1.059 213 D HN 0.545 nan 8.370 nan 0.000 0.515 214 H N 2.219 121.291 119.070 0.002 0.000 2.545 214 H HA -0.034 4.521 4.556 -0.002 0.000 0.282 214 H C 1.356 176.670 175.328 -0.023 0.000 1.020 214 H CA 0.697 56.749 56.048 0.007 0.000 1.243 214 H CB 0.577 30.343 29.762 0.006 0.000 1.377 214 H HN 0.441 nan 8.280 nan 0.000 0.581 215 K N 0.620 121.038 120.400 0.029 0.000 2.148 215 K HA -0.053 4.266 4.320 -0.002 0.000 0.204 215 K C 2.182 178.720 176.600 -0.104 0.000 1.050 215 K CA 0.820 57.087 56.287 -0.033 0.000 0.942 215 K CB 0.216 32.680 32.500 -0.061 0.000 0.724 215 K HN 0.228 nan 8.250 nan 0.000 0.446 216 R N -0.247 120.141 120.500 -0.188 0.000 2.105 216 R HA 0.118 4.457 4.340 -0.002 0.000 0.214 216 R C 0.673 176.852 176.300 -0.201 0.000 1.091 216 R CA 0.625 56.477 56.100 -0.415 0.000 1.007 216 R CB 0.696 30.440 30.300 -0.926 0.000 0.912 216 R HN 0.241 nan 8.270 nan 0.000 0.450 217 G N -0.449 108.381 108.800 0.050 0.000 2.347 217 G HA2 -0.065 3.894 3.960 -0.002 0.000 0.321 217 G HA3 -0.065 3.894 3.960 -0.002 0.000 0.321 217 G C -2.569 172.483 174.900 0.253 0.000 1.412 217 G CA -0.938 44.299 45.100 0.228 0.000 0.990 217 G HN -0.224 nan 8.290 nan 0.000 0.637 218 P HA 0.003 nan 4.420 nan 0.000 0.220 218 P C 1.605 178.997 177.300 0.152 0.000 1.148 218 P CA 1.748 64.916 63.100 0.113 0.000 0.803 218 P CB 0.039 31.773 31.700 0.057 0.000 0.782 219 G N -1.899 106.976 108.800 0.125 0.000 3.181 219 G HA2 0.147 4.106 3.960 -0.002 0.000 0.219 219 G HA3 0.147 4.106 3.960 -0.002 0.000 0.219 219 G C -0.106 174.684 174.900 -0.184 0.000 1.182 219 G CA -0.123 44.988 45.100 0.019 0.000 0.791 219 G HN 0.150 nan 8.290 nan 0.000 0.537 220 F N -0.634 119.330 119.950 0.024 0.000 2.522 220 F HA 0.603 5.129 4.527 -0.002 0.000 0.324 220 F C 0.356 175.887 175.800 -0.449 0.000 1.077 220 F CA -0.804 57.052 58.000 -0.240 0.000 0.944 220 F CB 2.552 41.403 39.000 -0.247 0.000 1.175 220 F HN -0.159 nan 8.300 nan 0.000 0.468 221 T N 1.108 115.373 114.554 -0.482 0.000 2.912 221 T HA 0.430 4.779 4.350 -0.002 0.000 0.288 221 T C 0.743 175.251 174.700 -0.320 0.000 1.030 221 T CA -0.563 61.169 62.100 -0.613 0.000 1.020 221 T CB 1.292 69.514 68.868 -1.076 0.000 1.056 221 T HN 0.720 nan 8.240 nan 0.000 0.480 222 R N 1.627 121.967 120.500 -0.268 0.000 2.265 222 R HA 0.219 4.558 4.340 -0.002 0.000 0.194 222 R C 1.351 177.518 176.300 -0.223 0.000 0.931 222 R CA 0.100 56.078 56.100 -0.203 0.000 1.032 222 R CB 0.282 30.484 30.300 -0.163 0.000 0.980 222 R HN 0.626 nan 8.270 nan 0.000 0.497 223 G N 1.411 110.036 108.800 -0.292 0.000 2.985 223 G HA2 0.166 4.125 3.960 -0.002 0.000 0.282 223 G HA3 0.166 4.125 3.960 -0.002 0.000 0.282 223 G C 0.672 175.336 174.900 -0.394 0.000 0.791 223 G CA -0.339 44.583 45.100 -0.298 0.000 1.934 223 G HN 0.140 nan 8.290 nan 0.000 0.563 224 L N 1.632 122.713 121.223 -0.235 0.000 2.551 224 L HA 0.050 4.390 4.340 -0.002 0.000 0.228 224 L C 2.619 179.487 176.870 -0.002 0.000 1.153 224 L CA 0.677 55.445 54.840 -0.120 0.000 0.851 224 L CB 0.135 42.163 42.059 -0.051 0.000 0.959 224 L HN 0.519 nan 8.230 nan 0.000 0.451 225 G N -2.266 106.496 108.800 -0.063 0.000 2.572 225 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.216 225 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.216 225 G C 0.627 175.564 174.900 0.061 0.000 1.133 225 G CA -0.152 44.949 45.100 0.003 0.000 0.791 225 G HN 0.563 nan 8.290 nan 0.000 0.538 226 H N -0.365 118.672 119.070 -0.055 0.000 2.655 226 H HA -0.166 4.389 4.556 -0.002 0.000 0.313 226 H C 1.127 176.399 175.328 -0.094 0.000 1.141 226 H CA 1.098 57.113 56.048 -0.055 0.000 1.138 226 H CB -1.381 28.346 29.762 -0.060 0.000 1.446 226 H HN 0.789 nan 8.280 nan 0.000 0.415 227 G N -1.685 107.092 108.800 -0.038 0.000 2.356 227 G HA2 0.233 4.192 3.960 -0.002 0.000 0.281 227 G HA3 0.233 4.192 3.960 -0.002 0.000 0.281 227 G C -0.782 174.115 174.900 -0.005 0.000 1.246 227 G CA -0.294 44.738 45.100 -0.113 0.000 0.889 227 G HN 0.160 nan 8.290 nan 0.000 0.486 228 V N 2.377 122.300 119.914 0.016 0.000 2.229 228 V HA 0.245 4.364 4.120 -0.002 0.000 0.245 228 V C 0.563 176.695 176.094 0.064 0.000 1.243 228 V CA 0.964 63.306 62.300 0.071 0.000 1.176 228 V CB 0.068 31.988 31.823 0.161 0.000 1.323 228 V HN 0.761 nan 8.190 nan 0.000 0.499 229 D N 2.789 123.212 120.400 0.038 0.000 2.407 229 D HA 0.071 4.710 4.640 -0.002 0.000 0.208 229 D C 0.805 177.174 176.300 0.114 0.000 1.083 229 D CA -0.452 53.585 54.000 0.062 0.000 0.844 229 D CB 0.197 41.018 40.800 0.035 0.000 0.967 229 D HN 0.227 nan 8.370 nan 0.000 0.506 230 L N 0.805 122.098 121.223 0.118 0.000 3.717 230 L HA -0.280 4.059 4.340 -0.002 0.000 0.411 230 L C 0.822 177.826 176.870 0.224 0.000 1.233 230 L CA 0.780 55.752 54.840 0.219 0.000 0.917 230 L CB -2.848 39.325 42.059 0.190 0.000 1.902 230 L HN 0.372 nan 8.230 nan 0.000 0.894 231 N N -1.072 117.712 118.700 0.141 0.000 2.453 231 N HA -0.165 4.574 4.740 -0.002 0.000 0.183 231 N C 1.655 177.152 175.510 -0.022 0.000 1.041 231 N CA 1.544 54.626 53.050 0.054 0.000 0.900 231 N CB -0.303 38.166 38.487 -0.030 0.000 0.961 231 N HN 0.723 nan 8.380 nan 0.000 0.443 232 H N -0.682 118.217 119.070 -0.284 0.000 2.559 232 H HA 0.143 4.698 4.556 -0.002 0.000 0.273 232 H C 1.287 176.457 175.328 -0.263 0.000 1.000 232 H CA 0.569 56.377 56.048 -0.400 0.000 1.195 232 H CB -0.240 29.227 29.762 -0.491 0.000 1.368 232 H HN 0.418 nan 8.280 nan 0.000 0.592 233 I N -0.979 119.282 120.570 -0.514 0.000 3.194 233 I HA -0.036 4.133 4.170 -0.002 0.000 0.271 233 I C 1.165 176.998 176.117 -0.474 0.000 1.150 233 I CA 0.138 61.079 61.300 -0.598 0.000 1.440 233 I CB 0.081 37.497 38.000 -0.972 0.000 1.276 233 I HN -0.037 nan 8.210 nan 0.000 0.457 234 Y N 1.411 121.663 120.300 -0.080 0.000 2.462 234 Y HA 0.487 5.036 4.550 -0.001 0.000 0.261 234 Y C 1.149 177.041 175.900 -0.014 0.000 1.146 234 Y CA -0.003 58.096 58.100 -0.002 0.000 1.283 234 Y CB 0.025 38.526 38.460 0.069 0.000 1.090 234 Y HN 0.142 nan 8.280 nan 0.000 0.526 235 G N 0.779 109.608 108.800 0.049 0.000 2.692 235 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.686 235 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.686 235 G C 0.116 175.013 174.900 -0.004 0.000 1.243 235 G CA -0.098 44.999 45.100 -0.004 0.000 0.782 235 G HN 0.178 nan 8.290 nan 0.000 0.625 236 E N -0.430 119.741 120.200 -0.049 0.000 2.076 236 E HA 0.123 4.472 4.350 -0.002 0.000 0.190 236 E C 1.916 178.489 176.600 -0.045 0.000 0.979 236 E CA 2.100 58.466 56.400 -0.056 0.000 0.807 236 E CB 0.013 29.660 29.700 -0.089 0.000 0.761 236 E HN 1.147 nan 8.360 nan 0.000 0.454 237 T N -1.848 112.675 114.554 -0.051 0.000 2.944 237 T HA 0.250 4.599 4.350 -0.002 0.000 0.284 237 T C 1.025 175.674 174.700 -0.085 0.000 1.010 237 T CA -0.557 61.508 62.100 -0.058 0.000 1.025 237 T CB 1.249 70.084 68.868 -0.055 0.000 1.079 237 T HN 0.069 nan 8.240 nan 0.000 0.516 238 L N 0.584 121.737 121.223 -0.116 0.000 2.093 238 L HA 0.022 4.361 4.340 -0.002 0.000 0.208 238 L C 2.072 178.742 176.870 -0.334 0.000 1.085 238 L CA 1.842 56.534 54.840 -0.247 0.000 0.755 238 L CB -0.874 41.062 42.059 -0.205 0.000 0.904 238 L HN 0.748 nan 8.230 nan 0.000 0.435 239 D N -0.676 119.636 120.400 -0.148 0.000 2.117 239 D HA -0.225 4.414 4.640 -0.002 0.000 0.197 239 D C 2.216 178.497 176.300 -0.032 0.000 0.987 239 D CA 1.153 55.119 54.000 -0.057 0.000 0.829 239 D CB 0.019 40.811 40.800 -0.014 0.000 0.961 239 D HN 0.347 nan 8.370 nan 0.000 0.460 240 R N 0.777 121.248 120.500 -0.048 0.000 2.092 240 R HA -0.102 4.237 4.340 -0.002 0.000 0.231 240 R C 2.268 178.554 176.300 -0.023 0.000 1.119 240 R CA 0.984 57.069 56.100 -0.024 0.000 0.970 240 R CB -0.019 30.262 30.300 -0.032 0.000 0.864 240 R HN 0.157 nan 8.270 nan 0.000 0.440 241 Q N -0.279 119.478 119.800 -0.070 0.000 2.061 241 Q HA -0.224 4.115 4.340 -0.002 0.000 0.204 241 Q C 1.539 177.498 176.000 -0.068 0.000 0.984 241 Q CA 1.960 57.721 55.803 -0.069 0.000 0.846 241 Q CB -0.110 28.553 28.738 -0.124 0.000 0.902 241 Q HN 0.653 nan 8.270 nan 0.000 0.421 242 H N -0.507 118.543 119.070 -0.033 0.000 2.423 242 H HA -0.029 4.526 4.556 -0.001 0.000 0.297 242 H C 1.909 177.272 175.328 0.058 0.000 1.075 242 H CA 0.907 56.984 56.048 0.048 0.000 1.342 242 H CB 0.295 30.226 29.762 0.282 0.000 1.395 242 H HN 0.183 nan 8.280 nan 0.000 0.530 243 K N 0.487 120.979 120.400 0.154 0.000 2.283 243 K HA -0.051 4.268 4.320 -0.002 0.000 0.202 243 K C 1.530 178.158 176.600 0.048 0.000 1.048 243 K CA 0.667 57.015 56.287 0.102 0.000 0.948 243 K CB 0.249 32.792 32.500 0.071 0.000 0.742 243 K HN 0.280 nan 8.250 nan 0.000 0.458 244 L N 0.041 121.269 121.223 0.008 0.000 2.477 244 L HA 0.067 4.406 4.340 -0.002 0.000 0.220 244 L C 0.621 177.455 176.870 -0.059 0.000 1.106 244 L CA 0.034 54.873 54.840 -0.003 0.000 0.851 244 L CB 0.173 42.240 42.059 0.015 0.000 0.994 244 L HN -0.023 nan 8.230 nan 0.000 0.462 245 R N 0.078 120.447 120.500 -0.219 0.000 2.357 245 R HA 0.137 4.477 4.340 -0.002 0.000 0.296 245 R C 0.750 176.805 176.300 -0.408 0.000 1.052 245 R CA -0.405 55.420 56.100 -0.457 0.000 0.988 245 R CB 1.530 31.201 30.300 -1.048 0.000 1.025 245 R HN -0.060 nan 8.270 nan 0.000 0.469 246 L N 3.164 124.267 121.223 -0.200 0.000 2.240 246 L HA 0.089 4.428 4.340 -0.002 0.000 0.211 246 L C 0.089 177.002 176.870 0.071 0.000 1.106 246 L CA 1.261 56.092 54.840 -0.015 0.000 0.793 246 L CB -0.132 41.983 42.059 0.094 0.000 0.927 246 L HN 0.817 nan 8.230 nan 0.000 0.446 247 F N -0.652 119.318 119.950 0.033 0.000 3.074 247 F HA -0.298 4.229 4.527 -0.000 0.000 0.289 247 F C 0.599 176.425 175.800 0.042 0.000 0.863 247 F CA 1.050 59.052 58.000 0.004 0.000 1.121 247 F CB -1.502 37.470 39.000 -0.047 0.000 1.169 247 F HN 0.185 nan 8.300 nan 0.000 0.570 248 K N 0.614 121.126 120.400 0.186 0.000 2.553 248 K HA 0.344 4.663 4.320 -0.002 0.000 0.250 248 K C -0.098 176.602 176.600 0.167 0.000 0.953 248 K CA -0.460 55.926 56.287 0.165 0.000 0.800 248 K CB 1.168 33.753 32.500 0.143 0.000 1.243 248 K HN 0.036 nan 8.250 nan 0.000 0.435 249 D N 2.919 123.418 120.400 0.164 0.000 3.039 249 D HA -0.201 4.438 4.640 -0.002 0.000 0.222 249 D C 0.658 177.077 176.300 0.198 0.000 1.179 249 D CA 1.919 56.020 54.000 0.168 0.000 0.880 249 D CB -1.248 39.636 40.800 0.140 0.000 1.115 249 D HN 1.105 nan 8.370 nan 0.000 0.416 250 G N -0.538 108.402 108.800 0.233 0.000 2.162 250 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.260 250 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.260 250 G C 0.345 175.514 174.900 0.450 0.000 0.976 250 G CA 0.852 46.150 45.100 0.331 0.000 0.655 250 G HN 0.502 nan 8.290 nan 0.000 0.533 251 K N -0.448 120.147 120.400 0.324 0.000 2.126 251 K HA 0.649 4.968 4.320 -0.002 0.000 0.257 251 K C 0.676 177.482 176.600 0.344 0.000 1.007 251 K CA -0.581 55.932 56.287 0.377 0.000 0.928 251 K CB 0.875 33.537 32.500 0.271 0.000 1.013 251 K HN 0.175 nan 8.250 nan 0.000 0.473 252 L N 2.108 123.558 121.223 0.378 0.000 2.357 252 L HA 0.256 4.595 4.340 -0.002 0.000 0.273 252 L C 0.164 177.182 176.870 0.246 0.000 1.080 252 L CA -0.550 54.420 54.840 0.216 0.000 0.803 252 L CB 0.958 43.109 42.059 0.152 0.000 1.174 252 L HN 0.420 nan 8.230 nan 0.000 0.443 253 K N 1.950 122.439 120.400 0.149 0.000 2.436 253 K HA 0.226 4.545 4.320 -0.002 0.000 0.275 253 K C -1.126 175.608 176.600 0.224 0.000 0.999 253 K CA 0.455 56.823 56.287 0.136 0.000 0.980 253 K CB 0.415 32.945 32.500 0.049 0.000 0.919 253 K HN 0.442 nan 8.250 nan 0.000 0.484 254 Y N -1.670 118.660 120.300 0.050 0.000 2.638 254 Y HA 0.296 4.845 4.550 -0.002 0.000 0.335 254 Y C -1.386 174.548 175.900 0.056 0.000 1.155 254 Y CA -1.382 56.745 58.100 0.044 0.000 1.046 254 Y CB 1.098 39.573 38.460 0.025 0.000 1.303 254 Y HN 0.602 nan 8.280 nan 0.000 0.460 255 Q N 0.831 120.717 119.800 0.143 0.000 2.458 255 Q HA 0.833 5.172 4.340 -0.002 0.000 0.282 255 Q C -1.969 174.165 176.000 0.223 0.000 1.106 255 Q CA -1.361 54.491 55.803 0.082 0.000 0.814 255 Q CB 3.019 31.820 28.738 0.106 0.000 1.425 255 Q HN 0.608 nan 8.270 nan 0.000 0.437 256 V N 2.542 122.554 119.914 0.164 0.000 2.334 256 V HA 0.417 4.536 4.120 -0.002 0.000 0.281 256 V C -0.585 175.611 176.094 0.170 0.000 1.016 256 V CA -0.482 61.926 62.300 0.181 0.000 0.832 256 V CB 0.919 32.830 31.823 0.146 0.000 0.999 256 V HN 0.648 nan 8.190 nan 0.000 0.439 257 I N 4.139 124.861 120.570 0.253 0.000 2.390 257 I HA 0.573 4.742 4.170 -0.002 0.000 0.283 257 I C 1.042 177.274 176.117 0.192 0.000 1.016 257 I CA -0.387 61.033 61.300 0.200 0.000 1.151 257 I CB 1.468 39.563 38.000 0.159 0.000 1.293 257 I HN 0.814 nan 8.210 nan 0.000 0.458 258 G N 4.261 113.127 108.800 0.111 0.000 2.272 258 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.280 258 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.280 258 G C 0.929 175.875 174.900 0.077 0.000 1.067 258 G CA 0.355 45.506 45.100 0.084 0.000 0.902 258 G HN 1.465 nan 8.290 nan 0.000 0.500 259 G N -1.711 107.130 108.800 0.069 0.000 2.155 259 G HA2 -0.200 3.760 3.960 -0.002 0.000 0.257 259 G HA3 -0.200 3.760 3.960 -0.002 0.000 0.257 259 G C 0.012 174.925 174.900 0.021 0.000 0.983 259 G CA 1.005 46.131 45.100 0.043 0.000 0.676 259 G HN 1.061 nan 8.290 nan 0.000 0.528 260 E N -0.504 119.719 120.200 0.038 0.000 2.266 260 E HA 0.524 4.873 4.350 -0.002 0.000 0.268 260 E C -0.180 176.315 176.600 -0.174 0.000 0.879 260 E CA -0.798 55.546 56.400 -0.093 0.000 0.762 260 E CB 2.455 32.101 29.700 -0.091 0.000 1.199 260 E HN 0.097 nan 8.360 nan 0.000 0.422 261 V N 3.755 123.469 119.914 -0.333 0.000 2.432 261 V HA 0.237 4.356 4.120 -0.002 0.000 0.271 261 V C -0.689 175.086 176.094 -0.532 0.000 1.046 261 V CA 0.015 62.166 62.300 -0.248 0.000 0.945 261 V CB -0.350 31.336 31.823 -0.229 0.000 0.992 261 V HN 0.520 nan 8.190 nan 0.000 0.471 262 Y N 4.678 124.944 120.300 -0.057 0.000 2.605 262 Y HA 0.507 5.056 4.550 -0.002 0.000 0.343 262 Y C -2.272 173.529 175.900 -0.165 0.000 1.036 262 Y CA -2.779 55.178 58.100 -0.238 0.000 1.065 262 Y CB 2.050 40.268 38.460 -0.403 0.000 1.288 262 Y HN 0.423 nan 8.280 nan 0.000 0.481 263 P HA 0.024 nan 4.420 nan 0.000 0.268 263 P C -2.508 174.885 177.300 0.155 0.000 1.208 263 P CA -0.750 62.354 63.100 0.008 0.000 0.777 263 P CB 0.003 31.688 31.700 -0.025 0.000 0.875 264 P HA 0.072 nan 4.420 nan 0.000 0.277 264 P C -0.402 177.036 177.300 0.229 0.000 1.276 264 P CA -0.015 63.191 63.100 0.176 0.000 0.788 264 P CB 0.120 31.881 31.700 0.102 0.000 1.114 265 T N -3.486 111.152 114.554 0.140 0.000 2.902 265 T HA 0.228 4.577 4.350 -0.002 0.000 0.280 265 T C 1.454 176.184 174.700 0.049 0.000 0.992 265 T CA -0.710 61.434 62.100 0.072 0.000 1.015 265 T CB 0.184 69.044 68.868 -0.013 0.000 1.044 265 T HN 0.065 nan 8.240 nan 0.000 0.520 266 V N 1.341 121.265 119.914 0.018 0.000 2.332 266 V HA -0.145 3.974 4.120 -0.002 0.000 0.248 266 V C 2.853 178.949 176.094 0.004 0.000 1.055 266 V CA 2.128 64.442 62.300 0.023 0.000 1.038 266 V CB -0.878 30.954 31.823 0.015 0.000 0.651 266 V HN 1.011 nan 8.190 nan 0.000 0.450 267 K N -0.138 120.248 120.400 -0.023 0.000 2.063 267 K HA -0.233 4.086 4.320 -0.002 0.000 0.208 267 K C 1.715 178.311 176.600 -0.006 0.000 1.048 267 K CA 2.000 58.273 56.287 -0.023 0.000 0.928 267 K CB -0.171 32.304 32.500 -0.042 0.000 0.713 267 K HN 0.440 nan 8.250 nan 0.000 0.442 268 D N -0.801 119.600 120.400 0.002 0.000 2.289 268 D HA -0.064 4.575 4.640 -0.002 0.000 0.207 268 D C 1.583 177.895 176.300 0.021 0.000 0.966 268 D CA 1.439 55.445 54.000 0.009 0.000 0.868 268 D CB 0.418 41.224 40.800 0.010 0.000 0.943 268 D HN 0.478 nan 8.370 nan 0.000 0.514 269 T N -3.741 110.831 114.554 0.029 0.000 2.955 269 T HA 0.092 4.441 4.350 -0.002 0.000 0.251 269 T C 0.794 175.517 174.700 0.038 0.000 1.002 269 T CA -0.074 62.050 62.100 0.040 0.000 0.970 269 T CB 0.625 69.523 68.868 0.050 0.000 1.091 269 T HN -0.187 nan 8.240 nan 0.000 0.495 270 Q N 0.324 120.142 119.800 0.030 0.000 2.489 270 Q HA -0.126 4.213 4.340 -0.002 0.000 0.259 270 Q C 0.046 176.063 176.000 0.029 0.000 0.934 270 Q CA 0.791 56.609 55.803 0.025 0.000 1.131 270 Q CB -2.672 26.079 28.738 0.022 0.000 1.472 270 Q HN 0.780 nan 8.270 nan 0.000 0.560 271 V N 0.150 120.086 119.914 0.037 0.000 2.530 271 V HA 0.259 4.378 4.120 -0.002 0.000 0.282 271 V C 0.541 176.658 176.094 0.038 0.000 1.048 271 V CA -0.579 61.741 62.300 0.034 0.000 0.997 271 V CB 1.231 33.075 31.823 0.036 0.000 0.987 271 V HN 0.162 nan 8.190 nan 0.000 0.477 272 E N 7.157 127.371 120.200 0.023 0.000 2.376 272 E HA 0.306 4.656 4.350 -0.002 0.000 0.266 272 E C -0.385 176.233 176.600 0.030 0.000 1.009 272 E CA 0.097 56.510 56.400 0.023 0.000 0.902 272 E CB 1.021 30.722 29.700 0.002 0.000 0.972 272 E HN 0.639 nan 8.360 nan 0.000 0.439 273 M N 2.236 121.874 119.600 0.064 0.000 2.572 273 M HA 0.424 4.904 4.480 -0.002 0.000 0.299 273 M C -0.179 176.125 176.300 0.005 0.000 1.205 273 M CA -0.830 54.501 55.300 0.052 0.000 0.876 273 M CB 1.607 34.331 32.600 0.208 0.000 1.728 273 M HN 0.336 nan 8.290 nan 0.000 0.458 274 I N 2.567 123.061 120.570 -0.127 0.000 2.308 274 I HA 0.240 4.409 4.170 -0.002 0.000 0.293 274 I C -1.223 174.704 176.117 -0.317 0.000 1.078 274 I CA -0.014 61.206 61.300 -0.132 0.000 1.292 274 I CB -0.098 37.867 38.000 -0.058 0.000 1.423 274 I HN 0.466 nan 8.210 nan 0.000 0.493 275 Y N 5.905 126.139 120.300 -0.109 0.000 2.524 275 Y HA 0.453 5.002 4.550 -0.002 0.000 0.347 275 Y C -2.153 173.522 175.900 -0.375 0.000 1.005 275 Y CA -2.326 55.625 58.100 -0.249 0.000 1.025 275 Y CB 1.687 40.049 38.460 -0.163 0.000 1.275 275 Y HN 0.410 nan 8.280 nan 0.000 0.460 276 P HA 0.081 nan 4.420 nan 0.000 0.269 276 P C -2.021 175.105 177.300 -0.289 0.000 1.209 276 P CA -1.129 61.749 63.100 -0.371 0.000 0.776 276 P CB 0.409 31.803 31.700 -0.510 0.000 0.876 277 P HA -0.191 nan 4.420 nan 0.000 0.221 277 P C 1.047 178.302 177.300 -0.075 0.000 1.145 277 P CA 1.512 64.563 63.100 -0.082 0.000 0.795 277 P CB -0.349 31.341 31.700 -0.016 0.000 0.775 278 H N -1.572 117.468 119.070 -0.050 0.000 2.551 278 H HA 0.091 4.646 4.556 -0.001 0.000 0.266 278 H C 0.576 175.867 175.328 -0.061 0.000 0.977 278 H CA -0.235 55.786 56.048 -0.045 0.000 1.163 278 H CB -0.277 29.469 29.762 -0.027 0.000 1.381 278 H HN 0.022 nan 8.280 nan 0.000 0.581 279 I N 4.110 124.464 120.570 -0.360 0.000 2.452 279 I HA 0.147 4.316 4.170 -0.002 0.000 0.287 279 I C -2.042 173.934 176.117 -0.235 0.000 1.079 279 I CA -2.500 58.624 61.300 -0.293 0.000 1.387 279 I CB 0.561 38.336 38.000 -0.375 0.000 1.404 279 I HN 0.011 nan 8.210 nan 0.000 0.522 280 P HA 0.078 nan 4.420 nan 0.000 0.269 280 P C 0.850 178.001 177.300 -0.249 0.000 1.215 280 P CA -0.250 62.743 63.100 -0.178 0.000 0.780 280 P CB 0.796 32.407 31.700 -0.147 0.000 0.898 281 E N 2.067 122.150 120.200 -0.196 0.000 2.085 281 E HA -0.210 4.139 4.350 -0.002 0.000 0.194 281 E C 1.232 177.681 176.600 -0.251 0.000 0.994 281 E CA 1.664 57.942 56.400 -0.204 0.000 0.801 281 E CB -0.783 28.838 29.700 -0.131 0.000 0.743 281 E HN 0.595 nan 8.360 nan 0.000 0.453 282 N N 0.505 119.069 118.700 -0.226 0.000 2.609 282 N HA -0.113 4.626 4.740 -0.002 0.000 0.190 282 N C 1.386 176.638 175.510 -0.430 0.000 1.157 282 N CA 0.625 53.529 53.050 -0.242 0.000 0.918 282 N CB -0.344 38.047 38.487 -0.159 0.000 0.978 282 N HN 0.190 nan 8.380 nan 0.000 0.448 283 L N -1.048 119.852 121.223 -0.539 0.000 2.858 283 L HA 0.230 4.569 4.340 -0.002 0.000 0.251 283 L C 0.113 176.381 176.870 -1.004 0.000 1.149 283 L CA -0.089 54.277 54.840 -0.791 0.000 0.955 283 L CB 0.212 41.974 42.059 -0.494 0.000 1.289 283 L HN 0.084 nan 8.230 nan 0.000 0.542 284 Q N 1.046 120.331 119.800 -0.859 0.000 2.681 284 Q HA 0.245 4.584 4.340 -0.002 0.000 0.222 284 Q C -0.768 174.982 176.000 -0.417 0.000 1.258 284 Q CA -0.263 54.964 55.803 -0.961 0.000 1.014 284 Q CB 0.120 28.432 28.738 -0.711 0.000 1.384 284 Q HN 0.198 nan 8.270 nan 0.000 0.570 285 F N 0.989 120.900 119.950 -0.065 0.000 2.518 285 F HA 0.229 4.755 4.527 -0.002 0.000 0.359 285 F C 0.817 176.730 175.800 0.188 0.000 1.118 285 F CA -0.720 57.329 58.000 0.082 0.000 1.287 285 F CB 0.694 39.752 39.000 0.097 0.000 1.132 285 F HN 0.335 nan 8.300 nan 0.000 0.587 286 A N 3.844 126.864 122.820 0.333 0.000 2.287 286 A HA 0.736 5.055 4.320 -0.002 0.000 0.317 286 A C -0.646 177.036 177.584 0.165 0.000 1.220 286 A CA -0.538 51.630 52.037 0.219 0.000 0.835 286 A CB 0.685 19.773 19.000 0.146 0.000 1.180 286 A HN 0.679 nan 8.150 nan 0.000 0.500 287 V N 0.062 120.054 119.914 0.130 0.000 3.158 287 V HA 0.872 4.991 4.120 -0.002 0.000 0.311 287 V C 1.220 177.306 176.094 -0.014 0.000 1.181 287 V CA -0.071 62.274 62.300 0.075 0.000 1.054 287 V CB 0.948 32.862 31.823 0.151 0.000 1.085 287 V HN 1.042 nan 8.190 nan 0.000 0.446 288 G N 0.148 108.902 108.800 -0.076 0.000 2.513 288 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.219 288 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.219 288 G C 0.754 175.526 174.900 -0.214 0.000 1.160 288 G CA 1.636 46.656 45.100 -0.134 0.000 0.767 288 G HN 1.042 nan 8.290 nan 0.000 0.571 289 Q N 0.758 120.322 119.800 -0.394 0.000 2.278 289 Q HA 0.331 4.670 4.340 -0.002 0.000 0.257 289 Q C 1.298 177.045 176.000 -0.422 0.000 0.928 289 Q CA 0.045 55.473 55.803 -0.625 0.000 0.932 289 Q CB 1.355 29.196 28.738 -1.495 0.000 1.221 289 Q HN 0.605 nan 8.270 nan 0.000 0.434 290 E N 2.543 122.583 120.200 -0.267 0.000 2.268 290 E HA -0.129 4.220 4.350 -0.002 0.000 0.195 290 E C 0.887 177.411 176.600 -0.126 0.000 0.995 290 E CA 0.997 57.310 56.400 -0.145 0.000 0.836 290 E CB 0.009 29.648 29.700 -0.101 0.000 0.763 290 E HN 0.400 nan 8.360 nan 0.000 0.491 291 V N 0.221 120.056 119.914 -0.131 0.000 3.649 291 V HA -0.001 4.118 4.120 -0.002 0.000 0.275 291 V C 0.674 176.840 176.094 0.120 0.000 1.281 291 V CA 0.172 62.468 62.300 -0.006 0.000 1.143 291 V CB -0.531 31.325 31.823 0.055 0.000 0.892 291 V HN 0.224 nan 8.190 nan 0.000 0.441 292 F N 1.100 121.001 119.950 -0.081 0.000 2.722 292 F HA 0.169 4.695 4.527 -0.001 0.000 0.298 292 F C 2.164 177.916 175.800 -0.082 0.000 1.175 292 F CA 0.627 58.589 58.000 -0.063 0.000 1.462 292 F CB -1.144 37.852 39.000 -0.008 0.000 1.111 292 F HN 0.316 nan 8.300 nan 0.000 0.592 293 G N -0.772 108.030 108.800 0.002 0.000 2.985 293 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.209 293 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.209 293 G C 1.712 176.516 174.900 -0.159 0.000 1.165 293 G CA 0.088 45.136 45.100 -0.086 0.000 0.776 293 G HN 0.330 nan 8.290 nan 0.000 0.541 294 L N 1.010 122.055 121.223 -0.296 0.000 2.012 294 L HA 0.098 4.437 4.340 -0.002 0.000 0.210 294 L C 0.838 177.354 176.870 -0.590 0.000 1.073 294 L CA 1.604 55.999 54.840 -0.741 0.000 0.748 294 L CB -0.033 41.794 42.059 -0.386 0.000 0.891 294 L HN 0.108 nan 8.230 nan 0.000 0.431 295 V N -6.266 113.430 119.914 -0.362 0.000 2.841 295 V HA 0.451 4.570 4.120 -0.002 0.000 0.310 295 V C -2.076 173.731 176.094 -0.479 0.000 1.090 295 V CA -1.499 60.529 62.300 -0.454 0.000 0.930 295 V CB 1.087 32.757 31.823 -0.254 0.000 1.014 295 V HN -0.155 nan 8.190 nan 0.000 0.425 296 P HA -0.036 nan 4.420 nan 0.000 0.221 296 P C 1.603 178.738 177.300 -0.274 0.000 1.145 296 P CA 1.912 64.757 63.100 -0.425 0.000 0.795 296 P CB 0.151 31.610 31.700 -0.401 0.000 0.775 297 G N -0.529 107.950 108.800 -0.534 0.000 2.408 297 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.217 297 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.217 297 G C 1.435 176.005 174.900 -0.550 0.000 1.150 297 G CA 0.381 44.857 45.100 -1.040 0.000 0.776 297 G HN 0.243 nan 8.290 nan 0.000 0.542 298 L N -0.726 120.246 121.223 -0.419 0.000 2.095 298 L HA 0.078 4.417 4.340 -0.002 0.000 0.204 298 L C 2.757 179.470 176.870 -0.261 0.000 1.080 298 L CA 0.821 55.461 54.840 -0.334 0.000 0.759 298 L CB -0.271 41.495 42.059 -0.488 0.000 0.914 298 L HN 0.210 nan 8.230 nan 0.000 0.439 299 M N -0.414 119.066 119.600 -0.200 0.000 2.213 299 M HA -0.217 4.262 4.480 -0.002 0.000 0.263 299 M C 2.156 178.351 176.300 -0.176 0.000 1.062 299 M CA 1.626 56.860 55.300 -0.111 0.000 1.105 299 M CB -0.351 32.214 32.600 -0.058 0.000 1.385 299 M HN 0.187 nan 8.290 nan 0.000 0.417 300 M N -1.430 118.018 119.600 -0.252 0.000 2.065 300 M HA -0.273 4.206 4.480 -0.002 0.000 0.259 300 M C 1.650 177.775 176.300 -0.291 0.000 1.069 300 M CA 1.959 57.076 55.300 -0.305 0.000 1.110 300 M CB -0.365 32.084 32.600 -0.251 0.000 1.328 300 M HN 0.269 nan 8.290 nan 0.000 0.405 301 Y N 0.219 120.365 120.300 -0.257 0.000 2.293 301 Y HA -0.043 4.506 4.550 -0.002 0.000 0.291 301 Y C 2.610 178.321 175.900 -0.314 0.000 1.137 301 Y CA 1.365 59.226 58.100 -0.397 0.000 1.202 301 Y CB -0.927 37.087 38.460 -0.744 0.000 0.990 301 Y HN 0.391 nan 8.280 nan 0.000 0.537 302 A N -0.584 122.220 122.820 -0.026 0.000 1.877 302 A HA -0.203 4.116 4.320 -0.002 0.000 0.216 302 A C 2.297 179.919 177.584 0.063 0.000 1.186 302 A CA 2.379 54.523 52.037 0.179 0.000 0.620 302 A CB -1.185 17.946 19.000 0.218 0.000 0.822 302 A HN 0.403 nan 8.150 nan 0.000 0.443 303 T N 0.271 114.791 114.554 -0.057 0.000 2.777 303 T HA -0.067 4.282 4.350 -0.002 0.000 0.266 303 T C 1.812 176.429 174.700 -0.139 0.000 1.040 303 T CA 1.449 63.472 62.100 -0.127 0.000 1.141 303 T CB -0.407 68.337 68.868 -0.208 0.000 0.868 303 T HN 0.414 nan 8.240 nan 0.000 0.444 304 I N -0.638 119.830 120.570 -0.169 0.000 2.179 304 I HA -0.187 3.982 4.170 -0.002 0.000 0.242 304 I C 2.285 178.297 176.117 -0.175 0.000 1.088 304 I CA 1.536 62.698 61.300 -0.230 0.000 1.357 304 I CB -0.314 37.488 38.000 -0.330 0.000 1.051 304 I HN 0.323 nan 8.210 nan 0.000 0.409 305 W N 0.333 121.603 121.300 -0.050 0.000 2.388 305 W HA -0.181 4.478 4.660 -0.002 0.000 0.294 305 W C 2.447 178.942 176.519 -0.039 0.000 1.212 305 W CA 0.405 57.734 57.345 -0.027 0.000 1.271 305 W CB -0.352 29.084 29.460 -0.040 0.000 1.126 305 W HN 0.133 nan 8.180 nan 0.000 0.535 306 L N 1.138 122.451 121.223 0.150 0.000 2.012 306 L HA -0.182 4.158 4.340 -0.002 0.000 0.210 306 L C 2.294 179.204 176.870 0.067 0.000 1.073 306 L CA 1.984 56.868 54.840 0.073 0.000 0.748 306 L CB -0.732 41.339 42.059 0.019 0.000 0.891 306 L HN -0.108 nan 8.230 nan 0.000 0.431 307 R N -0.658 119.830 120.500 -0.021 0.000 2.115 307 R HA -0.176 4.163 4.340 -0.002 0.000 0.230 307 R C 2.241 178.523 176.300 -0.030 0.000 1.111 307 R CA 1.258 57.309 56.100 -0.082 0.000 0.976 307 R CB -0.276 29.928 30.300 -0.160 0.000 0.870 307 R HN 0.464 nan 8.270 nan 0.000 0.445 308 E N -0.231 119.979 120.200 0.017 0.000 2.077 308 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 308 E C 1.673 178.363 176.600 0.150 0.000 0.989 308 E CA 1.743 58.178 56.400 0.059 0.000 0.800 308 E CB -0.169 29.567 29.700 0.061 0.000 0.746 308 E HN 0.457 nan 8.360 nan 0.000 0.452 309 H N -0.084 119.074 119.070 0.146 0.000 2.319 309 H HA -0.057 4.498 4.556 -0.002 0.000 0.299 309 H C 1.588 176.993 175.328 0.129 0.000 1.092 309 H CA 2.305 58.461 56.048 0.179 0.000 1.302 309 H CB -0.156 29.742 29.762 0.226 0.000 1.373 309 H HN 0.140 nan 8.280 nan 0.000 0.497 310 N N 0.179 118.952 118.700 0.121 0.000 2.309 310 N HA -0.119 4.620 4.740 -0.002 0.000 0.182 310 N C 1.959 177.446 175.510 -0.039 0.000 1.018 310 N CA 0.890 53.955 53.050 0.026 0.000 0.876 310 N CB -0.329 38.151 38.487 -0.011 0.000 0.972 310 N HN 0.424 nan 8.380 nan 0.000 0.434 311 R N 0.669 121.148 120.500 -0.035 0.000 2.075 311 R HA 0.001 4.340 4.340 -0.002 0.000 0.232 311 R C 1.584 177.870 176.300 -0.023 0.000 1.126 311 R CA 0.892 56.969 56.100 -0.037 0.000 0.963 311 R CB -0.117 30.159 30.300 -0.039 0.000 0.858 311 R HN -0.018 nan 8.270 nan 0.000 0.435 312 V N 0.250 120.153 119.914 -0.019 0.000 2.515 312 V HA -0.284 3.835 4.120 -0.002 0.000 0.250 312 V C 2.450 178.533 176.094 -0.018 0.000 1.058 312 V CA 1.467 63.764 62.300 -0.005 0.000 1.064 312 V CB -0.402 31.435 31.823 0.023 0.000 0.675 312 V HN 0.519 nan 8.190 nan 0.000 0.461 313 C N 0.018 119.274 119.300 -0.074 0.000 2.425 313 C HA -0.150 4.309 4.460 -0.002 0.000 0.277 313 C C 2.494 177.501 174.990 0.029 0.000 1.280 313 C CA 0.884 59.889 59.018 -0.022 0.000 1.744 313 C CB -0.970 26.750 27.740 -0.035 0.000 1.989 313 C HN 0.601 nan 8.230 nan 0.000 0.491 314 D N 0.798 121.203 120.400 0.009 0.000 2.149 314 D HA -0.052 4.587 4.640 -0.002 0.000 0.201 314 D C 2.100 178.401 176.300 0.003 0.000 0.972 314 D CA 0.973 54.979 54.000 0.010 0.000 0.835 314 D CB -0.260 40.538 40.800 -0.005 0.000 0.966 314 D HN 0.316 nan 8.370 nan 0.000 0.476 315 I N 0.984 121.554 120.570 -0.000 0.000 2.179 315 I HA -0.198 3.971 4.170 -0.002 0.000 0.242 315 I C 2.546 178.655 176.117 -0.014 0.000 1.088 315 I CA 0.807 62.103 61.300 -0.008 0.000 1.357 315 I CB -0.964 37.038 38.000 0.004 0.000 1.051 315 I HN 0.046 nan 8.210 nan 0.000 0.409 316 L N 0.257 121.494 121.223 0.023 0.000 2.141 316 L HA -0.175 4.164 4.340 -0.002 0.000 0.209 316 L C 2.571 179.439 176.870 -0.004 0.000 1.094 316 L CA 1.030 55.892 54.840 0.037 0.000 0.763 316 L CB -0.479 41.671 42.059 0.152 0.000 0.908 316 L HN 0.242 nan 8.230 nan 0.000 0.437 317 K N 0.140 120.557 120.400 0.029 0.000 2.097 317 K HA -0.246 4.073 4.320 -0.002 0.000 0.205 317 K C 2.171 178.748 176.600 -0.037 0.000 1.050 317 K CA 1.290 57.595 56.287 0.030 0.000 0.938 317 K CB 0.130 32.667 32.500 0.062 0.000 0.718 317 K HN 0.125 nan 8.250 nan 0.000 0.442 318 Q N 0.938 120.704 119.800 -0.058 0.000 2.084 318 Q HA -0.166 4.173 4.340 -0.002 0.000 0.202 318 Q C 1.539 177.439 176.000 -0.167 0.000 0.978 318 Q CA 1.740 57.492 55.803 -0.085 0.000 0.844 318 Q CB 0.096 28.795 28.738 -0.066 0.000 0.898 318 Q HN 0.236 nan 8.270 nan 0.000 0.426 319 E N -0.260 119.784 120.200 -0.259 0.000 2.158 319 E HA -0.056 4.293 4.350 -0.002 0.000 0.191 319 E C 0.097 176.212 176.600 -0.808 0.000 0.982 319 E CA 0.796 56.892 56.400 -0.508 0.000 0.823 319 E CB 0.148 29.500 29.700 -0.579 0.000 0.766 319 E HN 0.504 nan 8.360 nan 0.000 0.468 320 H N -0.208 118.619 119.070 -0.404 0.000 2.541 320 H HA 0.217 4.772 4.556 -0.002 0.000 0.246 320 H C -1.927 173.262 175.328 -0.231 0.000 1.341 320 H CA -1.727 53.997 56.048 -0.539 0.000 1.469 320 H CB 1.401 30.283 29.762 -1.467 0.000 1.472 320 H HN -0.044 nan 8.280 nan 0.000 0.503 321 P HA -0.132 nan 4.420 nan 0.000 0.223 321 P C 1.602 178.961 177.300 0.099 0.000 1.151 321 P CA 0.856 63.974 63.100 0.030 0.000 0.787 321 P CB 0.494 32.197 31.700 0.005 0.000 0.788 322 E N -1.496 118.782 120.200 0.131 0.000 2.435 322 E HA -0.103 4.246 4.350 -0.002 0.000 0.195 322 E C 0.036 176.837 176.600 0.336 0.000 1.029 322 E CA 0.212 56.731 56.400 0.198 0.000 0.865 322 E CB -0.585 29.228 29.700 0.189 0.000 0.833 322 E HN 0.167 nan 8.360 nan 0.000 0.510 323 W N 2.017 123.367 121.300 0.083 0.000 2.190 323 W HA 0.507 5.166 4.660 -0.002 0.000 0.330 323 W C 1.167 177.723 176.519 0.061 0.000 1.299 323 W CA -0.079 57.300 57.345 0.056 0.000 1.215 323 W CB 0.629 30.120 29.460 0.051 0.000 1.147 323 W HN -0.017 nan 8.180 nan 0.000 0.563 324 G N 1.204 110.124 108.800 0.200 0.000 2.557 324 G HA2 0.065 4.024 3.960 -0.002 0.000 0.292 324 G HA3 0.065 4.024 3.960 -0.002 0.000 0.292 324 G C 0.408 175.402 174.900 0.156 0.000 1.237 324 G CA -0.085 45.097 45.100 0.138 0.000 0.978 324 G HN 0.495 nan 8.290 nan 0.000 0.498 325 D N -1.055 119.433 120.400 0.148 0.000 2.097 325 D HA -0.173 4.466 4.640 -0.002 0.000 0.195 325 D C 2.031 178.446 176.300 0.191 0.000 0.989 325 D CA 1.661 55.770 54.000 0.182 0.000 0.827 325 D CB 0.053 40.969 40.800 0.194 0.000 0.966 325 D HN 0.403 nan 8.370 nan 0.000 0.456 326 E N 0.263 120.547 120.200 0.141 0.000 2.077 326 E HA -0.238 4.111 4.350 -0.002 0.000 0.193 326 E C 2.064 178.729 176.600 0.109 0.000 0.989 326 E CA 1.398 57.880 56.400 0.137 0.000 0.800 326 E CB -0.357 29.389 29.700 0.078 0.000 0.746 326 E HN 0.478 nan 8.360 nan 0.000 0.452 327 Q N -0.484 119.298 119.800 -0.031 0.000 2.123 327 Q HA -0.076 4.263 4.340 -0.002 0.000 0.199 327 Q C 2.239 178.190 176.000 -0.081 0.000 0.966 327 Q CA 1.161 56.820 55.803 -0.239 0.000 0.845 327 Q CB -0.065 28.262 28.738 -0.684 0.000 0.907 327 Q HN 0.356 nan 8.270 nan 0.000 0.439 328 L N -0.199 121.120 121.223 0.160 0.000 2.083 328 L HA -0.166 4.173 4.340 -0.002 0.000 0.209 328 L C 2.260 179.274 176.870 0.240 0.000 1.083 328 L CA 1.128 56.153 54.840 0.309 0.000 0.752 328 L CB -0.429 41.821 42.059 0.319 0.000 0.899 328 L HN 0.314 nan 8.230 nan 0.000 0.433 329 F N 0.321 120.347 119.950 0.126 0.000 2.113 329 F HA -0.214 4.312 4.527 -0.001 0.000 0.297 329 F C 2.681 178.549 175.800 0.112 0.000 1.103 329 F CA 1.452 59.553 58.000 0.168 0.000 1.248 329 F CB -0.133 38.947 39.000 0.134 0.000 0.999 329 F HN 0.015 nan 8.300 nan 0.000 0.475 330 Q N -0.080 119.755 119.800 0.058 0.000 2.119 330 Q HA -0.111 4.228 4.340 -0.002 0.000 0.201 330 Q C 2.183 178.133 176.000 -0.083 0.000 0.972 330 Q CA 2.011 57.766 55.803 -0.080 0.000 0.847 330 Q CB -0.920 27.838 28.738 0.034 0.000 0.903 330 Q HN 0.429 nan 8.270 nan 0.000 0.433 331 T N 0.598 115.152 114.554 -0.000 0.000 2.857 331 T HA -0.035 4.314 4.350 -0.002 0.000 0.266 331 T C 2.150 176.941 174.700 0.153 0.000 1.048 331 T CA 1.177 63.345 62.100 0.114 0.000 1.139 331 T CB -0.057 68.966 68.868 0.259 0.000 0.874 331 T HN 0.167 nan 8.240 nan 0.000 0.455 332 S N 1.084 116.824 115.700 0.067 0.000 2.368 332 S HA -0.080 4.389 4.470 -0.002 0.000 0.225 332 S C 2.080 176.733 174.600 0.089 0.000 1.030 332 S CA 0.966 59.187 58.200 0.034 0.000 0.999 332 S CB -0.220 62.851 63.200 -0.215 0.000 0.844 332 S HN 0.440 nan 8.310 nan 0.000 0.459 333 R N 1.110 121.547 120.500 -0.105 0.000 2.083 333 R HA -0.042 4.297 4.340 -0.002 0.000 0.237 333 R C 2.136 178.473 176.300 0.062 0.000 1.137 333 R CA 1.299 57.279 56.100 -0.199 0.000 0.951 333 R CB -0.442 29.400 30.300 -0.763 0.000 0.851 333 R HN 0.344 nan 8.270 nan 0.000 0.434 334 L N 0.363 121.661 121.223 0.126 0.000 2.083 334 L HA -0.194 4.145 4.340 -0.002 0.000 0.209 334 L C 2.450 179.597 176.870 0.461 0.000 1.083 334 L CA 1.207 56.247 54.840 0.334 0.000 0.752 334 L CB -0.350 41.934 42.059 0.375 0.000 0.899 334 L HN 0.307 nan 8.230 nan 0.000 0.433 335 I N -0.707 120.094 120.570 0.386 0.000 2.202 335 I HA -0.295 3.874 4.170 -0.002 0.000 0.242 335 I C 2.312 178.564 176.117 0.226 0.000 1.091 335 I CA 1.131 62.592 61.300 0.268 0.000 1.368 335 I CB -0.119 38.026 38.000 0.242 0.000 1.058 335 I HN 0.162 nan 8.210 nan 0.000 0.410 336 L N 0.222 121.603 121.223 0.264 0.000 2.201 336 L HA -0.154 4.185 4.340 -0.002 0.000 0.212 336 L C 2.251 179.234 176.870 0.187 0.000 1.105 336 L CA 1.629 56.645 54.840 0.294 0.000 0.775 336 L CB -0.438 41.839 42.059 0.362 0.000 0.913 336 L HN 0.168 nan 8.230 nan 0.000 0.440 337 I N -1.122 119.564 120.570 0.192 0.000 2.226 337 I HA -0.229 3.941 4.170 -0.002 0.000 0.245 337 I C 2.494 178.710 176.117 0.165 0.000 1.100 337 I CA 1.393 62.791 61.300 0.164 0.000 1.374 337 I CB -0.889 37.230 38.000 0.199 0.000 1.057 337 I HN 0.331 nan 8.210 nan 0.000 0.413 338 G N 0.276 109.203 108.800 0.213 0.000 2.421 338 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.216 338 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.216 338 G C 1.511 176.491 174.900 0.133 0.000 1.171 338 G CA 0.620 45.846 45.100 0.210 0.000 0.775 338 G HN 0.401 nan 8.290 nan 0.000 0.543 339 E N -0.120 120.184 120.200 0.172 0.000 2.085 339 E HA -0.121 4.228 4.350 -0.002 0.000 0.194 339 E C 2.799 179.542 176.600 0.238 0.000 0.994 339 E CA 1.503 58.038 56.400 0.225 0.000 0.801 339 E CB -0.265 29.648 29.700 0.354 0.000 0.743 339 E HN 0.359 nan 8.360 nan 0.000 0.453 340 T N 1.569 116.249 114.554 0.210 0.000 2.652 340 T HA -0.153 4.196 4.350 -0.002 0.000 0.267 340 T C 2.026 176.727 174.700 0.002 0.000 1.039 340 T CA 1.174 63.368 62.100 0.156 0.000 1.153 340 T CB -0.264 68.606 68.868 0.003 0.000 0.863 340 T HN 0.125 nan 8.240 nan 0.000 0.428 341 I N 0.920 121.404 120.570 -0.144 0.000 2.361 341 I HA -0.160 4.009 4.170 -0.002 0.000 0.251 341 I C 2.527 178.263 176.117 -0.635 0.000 1.133 341 I CA 1.108 62.166 61.300 -0.404 0.000 1.413 341 I CB -0.334 37.317 38.000 -0.581 0.000 1.073 341 I HN 0.146 nan 8.210 nan 0.000 0.424 342 K N 1.965 122.023 120.400 -0.570 0.000 2.026 342 K HA -0.122 4.197 4.320 -0.002 0.000 0.208 342 K C 1.889 178.470 176.600 -0.031 0.000 1.048 342 K CA 1.739 57.880 56.287 -0.243 0.000 0.929 342 K CB -0.346 32.194 32.500 0.067 0.000 0.713 342 K HN 0.225 nan 8.250 nan 0.000 0.439 343 I N 0.104 120.699 120.570 0.042 0.000 2.252 343 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 343 I C 2.039 178.206 176.117 0.085 0.000 1.102 343 I CA 0.768 62.132 61.300 0.107 0.000 1.385 343 I CB -0.139 37.996 38.000 0.226 0.000 1.064 343 I HN -0.032 nan 8.210 nan 0.000 0.414 344 V N 1.064 120.981 119.914 0.004 0.000 2.343 344 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 344 V C 2.248 178.410 176.094 0.113 0.000 1.051 344 V CA 1.902 64.173 62.300 -0.048 0.000 1.036 344 V CB -0.362 31.237 31.823 -0.375 0.000 0.654 344 V HN 0.330 nan 8.190 nan 0.000 0.451 345 I N -0.446 120.152 120.570 0.048 0.000 2.235 345 I HA -0.149 4.020 4.170 -0.002 0.000 0.241 345 I C 2.367 178.551 176.117 0.113 0.000 1.085 345 I CA 1.498 62.857 61.300 0.098 0.000 1.378 345 I CB -0.282 37.770 38.000 0.088 0.000 1.076 345 I HN 0.308 nan 8.210 nan 0.000 0.415 346 E N 0.098 120.358 120.200 0.100 0.000 2.442 346 E HA -0.084 4.265 4.350 -0.002 0.000 0.195 346 E C 0.713 177.373 176.600 0.100 0.000 1.030 346 E CA 0.481 56.932 56.400 0.086 0.000 0.869 346 E CB 0.327 30.074 29.700 0.078 0.000 0.857 346 E HN 0.486 nan 8.360 nan 0.000 0.505 347 D N -1.013 119.484 120.400 0.162 0.000 2.680 347 D HA -0.038 4.601 4.640 -0.002 0.000 0.295 347 D C 1.363 177.922 176.300 0.431 0.000 1.097 347 D CA 0.163 54.316 54.000 0.256 0.000 0.952 347 D CB -0.240 40.685 40.800 0.208 0.000 1.491 347 D HN 0.051 nan 8.370 nan 0.000 0.486 348 Y N 2.334 122.736 120.300 0.170 0.000 2.138 348 Y HA -0.100 4.449 4.550 -0.001 0.000 0.286 348 Y C 2.151 178.128 175.900 0.127 0.000 1.115 348 Y CA 1.439 59.481 58.100 -0.096 0.000 1.105 348 Y CB -0.410 37.846 38.460 -0.340 0.000 1.004 348 Y HN -0.273 nan 8.280 nan 0.000 0.494 349 V N 0.907 120.939 119.914 0.196 0.000 2.407 349 V HA -0.291 3.828 4.120 -0.002 0.000 0.248 349 V C 2.323 178.415 176.094 -0.002 0.000 1.055 349 V CA 2.083 64.445 62.300 0.103 0.000 1.049 349 V CB -0.805 31.143 31.823 0.208 0.000 0.662 349 V HN 0.457 nan 8.190 nan 0.000 0.455 350 Q N 0.450 120.277 119.800 0.045 0.000 2.077 350 Q HA -0.291 4.048 4.340 -0.002 0.000 0.206 350 Q C 2.123 178.091 176.000 -0.053 0.000 0.989 350 Q CA 2.711 58.513 55.803 -0.003 0.000 0.853 350 Q CB -0.528 28.240 28.738 0.050 0.000 0.907 350 Q HN 0.855 nan 8.270 nan 0.000 0.418 351 H N -0.457 118.569 119.070 -0.073 0.000 2.326 351 H HA -0.106 4.449 4.556 -0.002 0.000 0.301 351 H C 1.633 176.799 175.328 -0.271 0.000 1.081 351 H CA 2.052 58.018 56.048 -0.137 0.000 1.334 351 H CB -0.274 29.450 29.762 -0.064 0.000 1.385 351 H HN 0.373 nan 8.280 nan 0.000 0.504 352 L N 0.081 121.028 121.223 -0.459 0.000 2.291 352 L HA 0.052 4.391 4.340 -0.002 0.000 0.214 352 L C 2.374 179.006 176.870 -0.395 0.000 1.120 352 L CA 1.622 56.154 54.840 -0.513 0.000 0.799 352 L CB -1.438 40.539 42.059 -0.136 0.000 0.925 352 L HN 0.405 nan 8.230 nan 0.000 0.446 353 S N 0.016 115.465 115.700 -0.418 0.000 2.387 353 S HA 0.169 4.639 4.470 -0.002 0.000 0.226 353 S C 1.866 176.061 174.600 -0.674 0.000 1.026 353 S CA 0.630 58.415 58.200 -0.691 0.000 0.972 353 S CB -1.049 61.459 63.200 -1.153 0.000 0.814 353 S HN 0.948 nan 8.310 nan 0.000 0.477 354 G N -0.003 108.494 108.800 -0.506 0.000 2.148 354 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.254 354 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.254 354 G C -0.162 174.556 174.900 -0.304 0.000 0.981 354 G CA 0.398 45.279 45.100 -0.365 0.000 0.670 354 G HN 0.528 nan 8.290 nan 0.000 0.528 355 Y N 0.232 120.332 120.300 -0.333 0.000 2.336 355 Y HA 0.432 4.981 4.550 -0.002 0.000 0.331 355 Y C 1.769 177.423 175.900 -0.411 0.000 1.211 355 Y CA -0.836 57.009 58.100 -0.426 0.000 1.346 355 Y CB 0.460 38.751 38.460 -0.283 0.000 1.271 355 Y HN 0.223 nan 8.280 nan 0.000 0.538 356 H N 1.369 120.343 119.070 -0.160 0.000 2.512 356 H HA -0.051 4.504 4.556 -0.002 0.000 0.279 356 H C 0.249 175.500 175.328 -0.129 0.000 0.999 356 H CA 0.026 56.002 56.048 -0.120 0.000 1.283 356 H CB -0.076 29.683 29.762 -0.006 0.000 1.421 356 H HN 0.478 nan 8.280 nan 0.000 0.554 357 F N 3.014 122.679 119.950 -0.475 0.000 2.543 357 F HA 0.121 4.647 4.527 -0.002 0.000 0.375 357 F C 0.762 176.513 175.800 -0.082 0.000 1.075 357 F CA -0.572 57.212 58.000 -0.360 0.000 1.225 357 F CB 0.440 38.962 39.000 -0.796 0.000 1.099 357 F HN -0.239 nan 8.300 nan 0.000 0.561 358 K N 7.958 127.950 120.400 -0.679 0.000 2.315 358 K HA 0.265 4.584 4.320 -0.002 0.000 0.291 358 K C -0.520 175.593 176.600 -0.812 0.000 1.074 358 K CA -0.370 55.598 56.287 -0.532 0.000 0.936 358 K CB 0.151 32.481 32.500 -0.284 0.000 1.049 358 K HN 0.726 nan 8.250 nan 0.000 0.471 359 L N 3.482 124.452 121.223 -0.422 0.000 2.473 359 L HA 0.201 4.540 4.340 -0.002 0.000 0.268 359 L C 0.361 177.170 176.870 -0.102 0.000 1.215 359 L CA 0.199 54.918 54.840 -0.201 0.000 0.823 359 L CB 0.417 42.488 42.059 0.020 0.000 1.099 359 L HN 0.556 nan 8.230 nan 0.000 0.483 360 K N 1.552 121.953 120.400 0.002 0.000 2.482 360 K HA 0.324 4.643 4.320 -0.002 0.000 0.251 360 K C -1.530 175.143 176.600 0.123 0.000 0.936 360 K CA -0.707 55.605 56.287 0.041 0.000 0.791 360 K CB 1.645 34.150 32.500 0.008 0.000 1.213 360 K HN 0.311 nan 8.250 nan 0.000 0.428 361 F N 4.454 124.387 119.950 -0.028 0.000 2.368 361 F HA 0.327 4.853 4.527 -0.002 0.000 0.362 361 F C -0.938 174.795 175.800 -0.111 0.000 1.137 361 F CA -0.658 57.303 58.000 -0.065 0.000 1.161 361 F CB 0.509 39.486 39.000 -0.038 0.000 1.265 361 F HN 0.463 nan 8.300 nan 0.000 0.530 362 D N 8.170 128.258 120.400 -0.520 0.000 2.323 362 D HA 0.329 4.969 4.640 -0.002 0.000 0.242 362 D C -2.292 173.583 176.300 -0.708 0.000 1.347 362 D CA -1.878 51.759 54.000 -0.605 0.000 0.988 362 D CB 1.911 42.561 40.800 -0.250 0.000 1.314 362 D HN 0.158 nan 8.370 nan 0.000 0.564 363 P HA -0.106 nan 4.420 nan 0.000 0.219 363 P C 0.767 177.367 177.300 -1.166 0.000 1.146 363 P CA 0.950 63.463 63.100 -0.979 0.000 0.808 363 P CB 0.355 31.279 31.700 -1.292 0.000 0.779 364 E N -0.709 118.850 120.200 -1.069 0.000 2.333 364 E HA -0.119 4.231 4.350 -0.002 0.000 0.198 364 E C 1.705 177.928 176.600 -0.629 0.000 1.007 364 E CA 0.560 56.302 56.400 -1.096 0.000 0.845 364 E CB -0.572 28.970 29.700 -0.264 0.000 0.766 364 E HN 0.314 nan 8.360 nan 0.000 0.507 365 L N 0.168 121.131 121.223 -0.434 0.000 2.275 365 L HA -0.138 4.201 4.340 -0.002 0.000 0.215 365 L C 1.883 178.651 176.870 -0.170 0.000 1.119 365 L CA 0.774 55.486 54.840 -0.213 0.000 0.790 365 L CB -0.088 41.879 42.059 -0.154 0.000 0.919 365 L HN 0.177 nan 8.230 nan 0.000 0.443 366 L N -2.095 118.973 121.223 -0.259 0.000 2.640 366 L HA 0.100 4.439 4.340 -0.002 0.000 0.230 366 L C 1.787 178.794 176.870 0.227 0.000 1.123 366 L CA -0.080 54.709 54.840 -0.084 0.000 0.900 366 L CB -0.063 41.827 42.059 -0.281 0.000 1.146 366 L HN 0.167 nan 8.230 nan 0.000 0.484 367 F N 1.320 121.336 119.950 0.111 0.000 2.407 367 F HA -0.106 4.421 4.527 -0.001 0.000 0.299 367 F C 1.746 177.624 175.800 0.131 0.000 1.097 367 F CA 0.255 58.345 58.000 0.151 0.000 1.422 367 F CB 0.051 39.132 39.000 0.136 0.000 1.067 367 F HN 0.394 nan 8.300 nan 0.000 0.539 368 N N -0.877 117.990 118.700 0.277 0.000 2.238 368 N HA 0.028 4.767 4.740 -0.002 0.000 0.222 368 N C -0.336 175.267 175.510 0.155 0.000 1.133 368 N CA 0.059 53.223 53.050 0.190 0.000 0.854 368 N CB -0.079 38.499 38.487 0.152 0.000 1.041 368 N HN 0.130 nan 8.380 nan 0.000 0.510 369 Q N 0.284 120.187 119.800 0.171 0.000 2.387 369 Q HA 0.305 4.644 4.340 -0.002 0.000 0.273 369 Q C -0.544 175.563 176.000 0.178 0.000 1.089 369 Q CA -0.428 55.462 55.803 0.145 0.000 0.824 369 Q CB 1.881 30.684 28.738 0.110 0.000 1.367 369 Q HN 0.287 nan 8.270 nan 0.000 0.443 370 Q N 1.330 121.224 119.800 0.155 0.000 2.286 370 Q HA 0.361 4.700 4.340 -0.002 0.000 0.265 370 Q C -1.107 175.011 176.000 0.197 0.000 1.080 370 Q CA 0.333 56.227 55.803 0.151 0.000 0.906 370 Q CB 0.237 29.043 28.738 0.114 0.000 1.227 370 Q HN 0.353 nan 8.270 nan 0.000 0.409 371 F N 1.628 121.553 119.950 -0.042 0.000 2.615 371 F HA 0.199 4.725 4.527 -0.002 0.000 0.312 371 F C -1.275 174.370 175.800 -0.259 0.000 1.119 371 F CA -0.864 57.031 58.000 -0.175 0.000 0.979 371 F CB 1.821 40.652 39.000 -0.281 0.000 1.266 371 F HN 0.259 nan 8.300 nan 0.000 0.444 372 Q N 5.477 124.764 119.800 -0.855 0.000 2.331 372 Q HA 0.189 4.528 4.340 -0.002 0.000 0.257 372 Q C -1.236 174.421 176.000 -0.570 0.000 0.957 372 Q CA -0.290 55.201 55.803 -0.520 0.000 0.923 372 Q CB 1.083 29.599 28.738 -0.369 0.000 1.212 372 Q HN 0.696 nan 8.270 nan 0.000 0.443 373 Y N 2.934 123.243 120.300 0.015 0.000 2.724 373 Y HA 0.047 4.596 4.550 -0.001 0.000 0.354 373 Y C 0.647 176.572 175.900 0.042 0.000 1.270 373 Y CA -0.135 58.046 58.100 0.134 0.000 1.902 373 Y CB 0.136 38.721 38.460 0.208 0.000 1.981 373 Y HN 0.415 nan 8.280 nan 0.000 0.428 374 Q N -0.233 119.594 119.800 0.046 0.000 2.522 374 Q HA 0.546 4.885 4.340 -0.002 0.000 0.285 374 Q C -1.953 174.024 176.000 -0.038 0.000 0.982 374 Q CA -1.301 54.511 55.803 0.017 0.000 0.805 374 Q CB 2.123 30.861 28.738 -0.001 0.000 1.457 374 Q HN 0.247 nan 8.270 nan 0.000 0.394 375 N N -0.265 118.418 118.700 -0.029 0.000 2.367 375 N HA 0.569 5.308 4.740 -0.002 0.000 0.278 375 N C -2.172 173.304 175.510 -0.057 0.000 1.117 375 N CA -0.532 52.495 53.050 -0.038 0.000 0.867 375 N CB 2.386 40.866 38.487 -0.011 0.000 1.649 375 N HN 0.609 nan 8.380 nan 0.000 0.479 376 R N 2.850 123.310 120.500 -0.066 0.000 2.513 376 R HA 0.533 4.872 4.340 -0.002 0.000 0.301 376 R C -0.944 175.413 176.300 0.096 0.000 0.968 376 R CA -0.599 55.429 56.100 -0.121 0.000 0.872 376 R CB 0.643 30.793 30.300 -0.251 0.000 1.177 376 R HN 0.524 nan 8.270 nan 0.000 0.444 377 I N 3.674 124.466 120.570 0.369 0.000 2.533 377 I HA 0.232 4.401 4.170 -0.002 0.000 0.284 377 I C 0.541 176.879 176.117 0.370 0.000 1.109 377 I CA -0.073 61.455 61.300 0.380 0.000 1.412 377 I CB 0.517 38.796 38.000 0.465 0.000 1.396 377 I HN 0.703 nan 8.210 nan 0.000 0.543 378 A N 4.786 127.707 122.820 0.169 0.000 2.327 378 A HA 0.306 4.625 4.320 -0.002 0.000 0.283 378 A C 1.256 178.774 177.584 -0.111 0.000 1.127 378 A CA -0.205 51.838 52.037 0.010 0.000 0.810 378 A CB 0.816 19.683 19.000 -0.221 0.000 1.066 378 A HN 0.786 nan 8.150 nan 0.000 0.492 379 S N 0.752 116.381 115.700 -0.119 0.000 2.383 379 S HA -0.165 4.304 4.470 -0.002 0.000 0.229 379 S C 1.571 176.037 174.600 -0.223 0.000 1.030 379 S CA 2.263 60.293 58.200 -0.283 0.000 1.002 379 S CB -0.356 62.820 63.200 -0.040 0.000 0.829 379 S HN 0.779 nan 8.310 nan 0.000 0.467 380 E N 0.154 120.240 120.200 -0.191 0.000 2.150 380 E HA -0.030 4.319 4.350 -0.002 0.000 0.193 380 E C 1.534 178.017 176.600 -0.196 0.000 0.985 380 E CA 0.880 57.175 56.400 -0.175 0.000 0.814 380 E CB -0.307 29.270 29.700 -0.204 0.000 0.752 380 E HN 0.591 nan 8.360 nan 0.000 0.466 381 F N 1.775 121.342 119.950 -0.639 0.000 2.146 381 F HA -0.110 4.416 4.527 -0.002 0.000 0.298 381 F C 1.923 177.500 175.800 -0.373 0.000 1.096 381 F CA 1.113 58.826 58.000 -0.479 0.000 1.275 381 F CB -0.418 38.224 39.000 -0.596 0.000 1.008 381 F HN -0.003 nan 8.300 nan 0.000 0.480 382 N N 0.091 118.306 118.700 -0.808 0.000 2.069 382 N HA -0.176 4.563 4.740 -0.002 0.000 0.191 382 N C 1.739 176.861 175.510 -0.647 0.000 1.031 382 N CA 2.289 54.437 53.050 -1.503 0.000 0.852 382 N CB -0.650 37.099 38.487 -1.230 0.000 1.018 382 N HN 0.297 nan 8.380 nan 0.000 0.423 383 T N 1.844 116.191 114.554 -0.346 0.000 2.652 383 T HA -0.149 4.200 4.350 -0.002 0.000 0.267 383 T C 1.950 176.660 174.700 0.017 0.000 1.039 383 T CA 1.757 63.742 62.100 -0.192 0.000 1.153 383 T CB -0.430 68.375 68.868 -0.106 0.000 0.863 383 T HN 0.426 nan 8.240 nan 0.000 0.428 384 L N -1.139 120.097 121.223 0.022 0.000 2.191 384 L HA 0.102 4.441 4.340 -0.002 0.000 0.212 384 L C 1.962 178.902 176.870 0.116 0.000 1.103 384 L CA 1.509 56.420 54.840 0.118 0.000 0.769 384 L CB -1.196 40.926 42.059 0.104 0.000 0.908 384 L HN 0.178 nan 8.230 nan 0.000 0.438 385 Y N 0.001 120.151 120.300 -0.251 0.000 2.471 385 Y HA 0.125 4.675 4.550 -0.001 0.000 0.286 385 Y C 0.816 176.335 175.900 -0.635 0.000 1.188 385 Y CA -0.204 57.443 58.100 -0.755 0.000 1.286 385 Y CB -0.169 37.820 38.460 -0.786 0.000 1.072 385 Y HN 0.265 nan 8.280 nan 0.000 0.517 386 H N 0.251 119.279 119.070 -0.071 0.000 3.216 386 H HA -0.080 4.475 4.556 -0.002 0.000 0.263 386 H C -0.647 174.871 175.328 0.316 0.000 1.601 386 H CA -0.083 56.017 56.048 0.086 0.000 1.509 386 H CB -0.339 29.585 29.762 0.269 0.000 1.759 386 H HN 0.389 nan 8.280 nan 0.000 0.533 387 W N 2.181 123.496 121.300 0.023 0.000 2.269 387 W HA 0.138 4.797 4.660 -0.001 0.000 0.402 387 W C 0.696 177.237 176.519 0.036 0.000 0.654 387 W CA -1.017 56.390 57.345 0.103 0.000 2.299 387 W CB -1.075 28.505 29.460 0.199 0.000 1.621 387 W HN 0.652 nan 8.180 nan 0.000 0.677 388 H N 0.252 119.571 119.070 0.415 0.000 2.495 388 H HA -0.066 4.489 4.556 -0.002 0.000 0.287 388 H C -0.544 174.942 175.328 0.263 0.000 1.033 388 H CA 1.216 57.453 56.048 0.314 0.000 1.307 388 H CB -1.037 28.897 29.762 0.286 0.000 1.401 388 H HN 0.007 nan 8.280 nan 0.000 0.555 389 P HA -0.147 nan 4.420 nan 0.000 0.221 389 P C 1.123 178.528 177.300 0.175 0.000 1.145 389 P CA 1.045 64.263 63.100 0.195 0.000 0.795 389 P CB 0.026 31.792 31.700 0.110 0.000 0.775 390 L N -1.741 119.606 121.223 0.207 0.000 2.127 390 L HA -0.134 4.205 4.340 -0.002 0.000 0.211 390 L C 1.104 178.089 176.870 0.193 0.000 1.089 390 L CA 0.621 55.575 54.840 0.190 0.000 0.757 390 L CB -0.827 41.382 42.059 0.249 0.000 0.899 390 L HN 0.001 nan 8.230 nan 0.000 0.434 391 L N 1.372 122.728 121.223 0.222 0.000 2.455 391 L HA 0.119 4.458 4.340 -0.002 0.000 0.272 391 L C -1.856 175.111 176.870 0.162 0.000 1.174 391 L CA -1.569 53.382 54.840 0.185 0.000 0.869 391 L CB -0.128 42.174 42.059 0.404 0.000 1.130 391 L HN -0.107 nan 8.230 nan 0.000 0.474 392 P HA 0.125 nan 4.420 nan 0.000 0.282 392 P C -0.371 176.760 177.300 -0.283 0.000 1.287 392 P CA -0.468 62.420 63.100 -0.354 0.000 0.792 392 P CB 1.090 32.398 31.700 -0.654 0.000 1.163 393 D N -1.127 119.099 120.400 -0.290 0.000 2.149 393 D HA -0.021 4.618 4.640 -0.002 0.000 0.201 393 D C 0.760 176.985 176.300 -0.125 0.000 0.972 393 D CA 1.645 55.613 54.000 -0.055 0.000 0.835 393 D CB -0.077 40.688 40.800 -0.059 0.000 0.966 393 D HN 0.513 nan 8.370 nan 0.000 0.476 394 T N -2.023 112.314 114.554 -0.362 0.000 2.907 394 T HA 0.565 4.914 4.350 -0.002 0.000 0.292 394 T C -0.570 173.780 174.700 -0.584 0.000 1.043 394 T CA -0.888 61.005 62.100 -0.345 0.000 1.003 394 T CB 1.420 70.192 68.868 -0.160 0.000 1.084 394 T HN -0.222 nan 8.240 nan 0.000 0.483 395 F N 2.165 121.946 119.950 -0.282 0.000 2.371 395 F HA 0.427 4.954 4.527 -0.001 0.000 0.363 395 F C 0.385 176.111 175.800 -0.124 0.000 1.122 395 F CA -1.022 56.780 58.000 -0.329 0.000 1.129 395 F CB 0.847 39.284 39.000 -0.940 0.000 1.173 395 F HN 0.439 nan 8.300 nan 0.000 0.489 396 N N 5.436 124.161 118.700 0.043 0.000 2.462 396 N HA 0.427 5.166 4.740 -0.002 0.000 0.242 396 N C -0.790 174.668 175.510 -0.086 0.000 1.010 396 N CA -0.178 52.854 53.050 -0.030 0.000 0.939 396 N CB 1.062 39.508 38.487 -0.068 0.000 1.127 396 N HN 0.478 nan 8.380 nan 0.000 0.509 397 I N 0.924 121.400 120.570 -0.156 0.000 2.418 397 I HA 0.184 4.353 4.170 -0.002 0.000 0.287 397 I C 0.984 176.896 176.117 -0.342 0.000 1.008 397 I CA -0.464 60.598 61.300 -0.396 0.000 1.104 397 I CB 1.273 38.866 38.000 -0.679 0.000 1.264 397 I HN 0.535 nan 8.210 nan 0.000 0.438 398 E N 3.752 123.803 120.200 -0.248 0.000 3.211 398 E HA -0.357 3.992 4.350 -0.002 0.000 0.393 398 E C -0.012 176.545 176.600 -0.071 0.000 1.515 398 E CA 2.292 58.630 56.400 -0.103 0.000 1.385 398 E CB -0.380 29.323 29.700 0.004 0.000 1.616 398 E HN 0.974 nan 8.360 nan 0.000 0.489 399 D N 0.555 120.938 120.400 -0.030 0.000 2.424 399 D HA 0.121 4.760 4.640 -0.002 0.000 0.220 399 D C -0.238 176.018 176.300 -0.075 0.000 1.150 399 D CA -0.001 53.975 54.000 -0.040 0.000 0.831 399 D CB 0.351 41.143 40.800 -0.013 0.000 0.981 399 D HN 0.096 nan 8.370 nan 0.000 0.500 400 Q N 0.666 120.392 119.800 -0.124 0.000 2.312 400 Q HA 0.393 4.732 4.340 -0.002 0.000 0.263 400 Q C -0.604 175.180 176.000 -0.361 0.000 0.995 400 Q CA -0.265 55.371 55.803 -0.278 0.000 0.853 400 Q CB 2.258 30.775 28.738 -0.368 0.000 1.300 400 Q HN 0.326 nan 8.270 nan 0.000 0.448 401 E N 2.342 122.316 120.200 -0.375 0.000 2.145 401 E HA 0.292 4.641 4.350 -0.002 0.000 0.262 401 E C -1.156 175.291 176.600 -0.255 0.000 0.883 401 E CA -0.359 55.891 56.400 -0.250 0.000 0.748 401 E CB 0.992 30.605 29.700 -0.146 0.000 1.140 401 E HN 0.371 nan 8.360 nan 0.000 0.417 402 Y N 1.336 121.666 120.300 0.050 0.000 2.320 402 Y HA 0.132 4.682 4.550 -0.001 0.000 0.334 402 Y C 1.092 177.081 175.900 0.149 0.000 1.055 402 Y CA -0.692 57.491 58.100 0.138 0.000 1.143 402 Y CB 1.208 39.813 38.460 0.243 0.000 1.193 402 Y HN 0.397 nan 8.280 nan 0.000 0.477 403 S N 1.465 117.364 115.700 0.332 0.000 2.624 403 S HA 0.164 4.633 4.470 -0.002 0.000 0.263 403 S C 0.831 175.700 174.600 0.449 0.000 1.287 403 S CA -0.540 57.860 58.200 0.333 0.000 0.990 403 S CB 0.387 63.756 63.200 0.282 0.000 0.950 403 S HN 0.565 nan 8.310 nan 0.000 0.561 404 F N 0.890 121.064 119.950 0.373 0.000 2.126 404 F HA -0.046 4.480 4.527 -0.002 0.000 0.299 404 F C 2.674 178.674 175.800 0.334 0.000 1.096 404 F CA 1.716 59.969 58.000 0.422 0.000 1.255 404 F CB -0.298 38.898 39.000 0.327 0.000 0.997 404 F HN 0.567 nan 8.300 nan 0.000 0.479 405 K N 0.496 121.164 120.400 0.447 0.000 2.097 405 K HA -0.190 4.129 4.320 -0.002 0.000 0.206 405 K C 1.936 178.712 176.600 0.294 0.000 1.049 405 K CA 1.566 58.044 56.287 0.319 0.000 0.933 405 K CB -0.283 32.363 32.500 0.242 0.000 0.717 405 K HN 0.398 nan 8.250 nan 0.000 0.442 406 Q N -1.292 118.705 119.800 0.327 0.000 2.187 406 Q HA -0.082 4.257 4.340 -0.002 0.000 0.199 406 Q C 1.861 178.039 176.000 0.297 0.000 0.957 406 Q CA 0.940 56.939 55.803 0.326 0.000 0.857 406 Q CB -0.028 28.968 28.738 0.429 0.000 0.929 406 Q HN 0.170 nan 8.270 nan 0.000 0.453 407 F N 0.811 120.830 119.950 0.115 0.000 2.149 407 F HA 0.030 4.556 4.527 -0.001 0.000 0.294 407 F C 0.489 176.245 175.800 -0.074 0.000 1.095 407 F CA 0.149 58.107 58.000 -0.071 0.000 1.276 407 F CB 0.040 38.906 39.000 -0.224 0.000 1.023 407 F HN -0.056 nan 8.300 nan 0.000 0.480 408 L N 0.840 122.108 121.223 0.076 0.000 2.525 408 L HA -0.071 4.268 4.340 -0.002 0.000 0.278 408 L C -0.341 176.550 176.870 0.034 0.000 1.218 408 L CA 0.510 55.323 54.840 -0.044 0.000 0.878 408 L CB -0.842 41.286 42.059 0.116 0.000 1.127 408 L HN 0.316 nan 8.230 nan 0.000 0.492 409 Y N 1.227 121.511 120.300 -0.027 0.000 3.491 409 Y HA -0.290 4.259 4.550 -0.002 0.000 0.215 409 Y C 0.578 176.484 175.900 0.011 0.000 1.219 409 Y CA 0.522 58.637 58.100 0.024 0.000 1.485 409 Y CB -1.583 36.919 38.460 0.071 0.000 1.450 409 Y HN 0.673 nan 8.280 nan 0.000 0.603 410 N N 0.774 119.470 118.700 -0.006 0.000 2.804 410 N HA 0.233 4.972 4.740 -0.002 0.000 0.251 410 N C 0.384 175.826 175.510 -0.113 0.000 1.250 410 N CA -0.306 52.718 53.050 -0.042 0.000 0.820 410 N CB 0.240 38.695 38.487 -0.053 0.000 1.156 410 N HN 0.159 nan 8.380 nan 0.000 0.512 411 N N -0.194 118.472 118.700 -0.057 0.000 2.494 411 N HA -0.103 4.636 4.740 -0.002 0.000 0.182 411 N C 1.559 177.037 175.510 -0.053 0.000 1.076 411 N CA 0.503 53.534 53.050 -0.031 0.000 0.908 411 N CB 0.204 38.722 38.487 0.052 0.000 0.967 411 N HN 0.562 nan 8.380 nan 0.000 0.449 412 S N 0.403 116.056 115.700 -0.078 0.000 2.423 412 S HA -0.004 4.465 4.470 -0.002 0.000 0.231 412 S C 1.954 176.533 174.600 -0.034 0.000 1.014 412 S CA 0.333 58.492 58.200 -0.068 0.000 0.965 412 S CB -0.419 62.748 63.200 -0.055 0.000 0.785 412 S HN 0.228 nan 8.310 nan 0.000 0.495 413 I N 0.706 121.265 120.570 -0.018 0.000 2.226 413 I HA -0.122 4.047 4.170 -0.002 0.000 0.245 413 I C 2.481 178.743 176.117 0.241 0.000 1.100 413 I CA 0.989 62.346 61.300 0.095 0.000 1.374 413 I CB -0.404 37.569 38.000 -0.046 0.000 1.057 413 I HN 0.297 nan 8.210 nan 0.000 0.413 414 L N 0.571 121.797 121.223 0.004 0.000 2.046 414 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 414 L C 2.265 179.052 176.870 -0.138 0.000 1.077 414 L CA 1.806 56.469 54.840 -0.294 0.000 0.747 414 L CB -0.345 41.435 42.059 -0.465 0.000 0.896 414 L HN 0.139 nan 8.230 nan 0.000 0.432 415 L N -1.035 120.104 121.223 -0.140 0.000 2.156 415 L HA -0.141 4.198 4.340 -0.002 0.000 0.208 415 L C 2.470 179.306 176.870 -0.057 0.000 1.095 415 L CA 0.997 55.738 54.840 -0.164 0.000 0.770 415 L CB -0.421 41.519 42.059 -0.198 0.000 0.914 415 L HN 0.307 nan 8.230 nan 0.000 0.439 416 E N -0.413 119.754 120.200 -0.054 0.000 2.047 416 E HA -0.190 4.159 4.350 -0.002 0.000 0.191 416 E C 2.171 178.678 176.600 -0.154 0.000 0.987 416 E CA 1.433 57.753 56.400 -0.133 0.000 0.799 416 E CB 0.094 29.660 29.700 -0.223 0.000 0.752 416 E HN 0.439 nan 8.360 nan 0.000 0.449 417 H N -0.963 118.194 119.070 0.146 0.000 2.451 417 H HA 0.295 4.850 4.556 -0.002 0.000 0.294 417 H C 1.113 176.531 175.328 0.149 0.000 1.028 417 H CA 1.025 57.178 56.048 0.175 0.000 1.349 417 H CB 0.302 30.228 29.762 0.274 0.000 1.444 417 H HN 0.261 nan 8.280 nan 0.000 0.538 418 G N 0.257 109.200 108.800 0.238 0.000 2.707 418 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.686 418 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.686 418 G C 0.598 175.555 174.900 0.094 0.000 1.315 418 G CA -0.115 45.072 45.100 0.145 0.000 0.832 418 G HN 0.220 nan 8.290 nan 0.000 0.573 419 L N 0.267 121.483 121.223 -0.011 0.000 2.109 419 L HA -0.064 4.275 4.340 -0.002 0.000 0.207 419 L C 3.261 180.133 176.870 0.003 0.000 1.086 419 L CA 2.205 57.002 54.840 -0.072 0.000 0.760 419 L CB -0.894 41.064 42.059 -0.168 0.000 0.910 419 L HN 0.817 nan 8.230 nan 0.000 0.437 420 T N -1.077 113.480 114.554 0.005 0.000 2.652 420 T HA -0.284 4.065 4.350 -0.002 0.000 0.267 420 T C 1.809 176.529 174.700 0.034 0.000 1.039 420 T CA 1.541 63.646 62.100 0.008 0.000 1.153 420 T CB -0.189 68.682 68.868 0.005 0.000 0.863 420 T HN 0.158 nan 8.240 nan 0.000 0.428 421 Q N 0.075 119.919 119.800 0.073 0.000 2.119 421 Q HA 0.010 4.349 4.340 -0.002 0.000 0.201 421 Q C 1.829 177.804 176.000 -0.041 0.000 0.972 421 Q CA 1.365 57.196 55.803 0.047 0.000 0.847 421 Q CB -0.679 28.128 28.738 0.115 0.000 0.903 421 Q HN 0.505 nan 8.270 nan 0.000 0.433 422 F N -1.017 118.810 119.950 -0.205 0.000 2.095 422 F HA -0.203 4.323 4.527 -0.001 0.000 0.298 422 F C 2.187 177.781 175.800 -0.344 0.000 1.104 422 F CA 1.254 59.009 58.000 -0.409 0.000 1.232 422 F CB -0.563 38.258 39.000 -0.299 0.000 0.987 422 F HN -0.064 nan 8.300 nan 0.000 0.475 423 V N -0.243 119.687 119.914 0.027 0.000 2.295 423 V HA -0.283 3.836 4.120 -0.002 0.000 0.246 423 V C 2.159 178.272 176.094 0.032 0.000 1.049 423 V CA 2.096 64.415 62.300 0.032 0.000 1.024 423 V CB -0.617 31.195 31.823 -0.018 0.000 0.648 423 V HN 0.311 nan 8.190 nan 0.000 0.447 424 E N 0.035 120.237 120.200 0.002 0.000 2.058 424 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 424 E C 2.424 179.026 176.600 0.003 0.000 0.997 424 E CA 1.688 58.100 56.400 0.020 0.000 0.801 424 E CB -0.221 29.485 29.700 0.009 0.000 0.746 424 E HN 0.507 nan 8.360 nan 0.000 0.450 425 S N 0.259 115.900 115.700 -0.100 0.000 2.368 425 S HA -0.084 4.385 4.470 -0.002 0.000 0.224 425 S C 1.576 176.203 174.600 0.045 0.000 1.029 425 S CA 0.784 58.906 58.200 -0.131 0.000 0.988 425 S CB -0.165 62.816 63.200 -0.366 0.000 0.838 425 S HN 0.174 nan 8.310 nan 0.000 0.462 426 F N 2.186 122.151 119.950 0.026 0.000 2.407 426 F HA 0.028 4.554 4.527 -0.002 0.000 0.299 426 F C 2.582 178.458 175.800 0.127 0.000 1.097 426 F CA 0.422 58.488 58.000 0.109 0.000 1.422 426 F CB -1.609 37.512 39.000 0.202 0.000 1.067 426 F HN 0.145 nan 8.300 nan 0.000 0.539 427 T N -0.492 114.225 114.554 0.273 0.000 2.904 427 T HA -0.104 4.245 4.350 -0.002 0.000 0.267 427 T C 2.133 176.934 174.700 0.168 0.000 1.059 427 T CA 0.976 63.195 62.100 0.199 0.000 1.137 427 T CB -0.055 68.911 68.868 0.164 0.000 0.879 427 T HN 0.224 nan 8.240 nan 0.000 0.467 428 R N 0.732 121.317 120.500 0.142 0.000 2.127 428 R HA 0.140 4.479 4.340 -0.002 0.000 0.217 428 R C 1.401 177.755 176.300 0.090 0.000 1.074 428 R CA 0.229 56.387 56.100 0.096 0.000 0.991 428 R CB 0.035 30.369 30.300 0.057 0.000 0.895 428 R HN 0.394 nan 8.270 nan 0.000 0.450 429 Q N 1.872 121.746 119.800 0.123 0.000 2.293 429 Q HA 0.101 4.440 4.340 -0.002 0.000 0.263 429 Q C -0.658 175.397 176.000 0.092 0.000 1.002 429 Q CA -0.256 55.601 55.803 0.090 0.000 0.910 429 Q CB 0.699 29.506 28.738 0.116 0.000 1.185 429 Q HN 0.034 nan 8.270 nan 0.000 0.401 430 I N 3.785 124.401 120.570 0.076 0.000 2.648 430 I HA 0.173 4.342 4.170 -0.002 0.000 0.284 430 I C -0.342 175.885 176.117 0.183 0.000 1.153 430 I CA 0.549 61.923 61.300 0.124 0.000 1.426 430 I CB 0.771 38.863 38.000 0.154 0.000 1.381 430 I HN 0.771 nan 8.210 nan 0.000 0.571 431 A N 5.456 128.382 122.820 0.176 0.000 2.264 431 A HA 0.763 5.082 4.320 -0.002 0.000 0.304 431 A C 0.264 177.975 177.584 0.211 0.000 1.100 431 A CA -0.100 52.061 52.037 0.206 0.000 0.839 431 A CB 0.236 19.331 19.000 0.157 0.000 1.121 431 A HN 0.891 nan 8.150 nan 0.000 0.496 432 G N -0.409 108.498 108.800 0.178 0.000 2.507 432 G HA2 0.471 4.430 3.960 -0.002 0.000 0.271 432 G HA3 0.471 4.430 3.960 -0.002 0.000 0.271 432 G C 0.076 174.871 174.900 -0.176 0.000 1.189 432 G CA -0.633 44.380 45.100 -0.146 0.000 0.859 432 G HN 0.844 nan 8.290 nan 0.000 0.542 433 R N 0.888 121.219 120.500 -0.281 0.000 2.442 433 R HA 0.225 4.564 4.340 -0.002 0.000 0.291 433 R C 1.025 177.214 176.300 -0.186 0.000 1.069 433 R CA -0.501 55.445 56.100 -0.256 0.000 1.022 433 R CB 0.883 31.029 30.300 -0.257 0.000 0.976 433 R HN 0.264 nan 8.270 nan 0.000 0.443 434 V N 3.908 123.699 119.914 -0.204 0.000 2.273 434 V HA -0.028 4.091 4.120 -0.002 0.000 0.242 434 V C 1.152 177.211 176.094 -0.059 0.000 1.035 434 V CA 1.793 64.038 62.300 -0.092 0.000 1.013 434 V CB -0.528 31.241 31.823 -0.090 0.000 0.652 434 V HN 0.905 nan 8.190 nan 0.000 0.452 435 A N -0.801 121.975 122.820 -0.072 0.000 2.249 435 A HA 0.541 4.860 4.320 -0.002 0.000 0.281 435 A C 1.497 179.027 177.584 -0.091 0.000 1.127 435 A CA 0.492 52.495 52.037 -0.057 0.000 0.833 435 A CB -0.048 18.938 19.000 -0.024 0.000 1.140 435 A HN 1.389 nan 8.150 nan 0.000 0.502 436 G N -2.033 106.719 108.800 -0.080 0.000 2.195 436 G HA2 0.340 4.299 3.960 -0.002 0.000 0.246 436 G HA3 0.340 4.299 3.960 -0.002 0.000 0.246 436 G C 1.633 176.488 174.900 -0.075 0.000 0.984 436 G CA 0.628 45.678 45.100 -0.083 0.000 0.633 436 G HN 3.055 nan 8.290 nan 0.000 0.525 437 G N -0.603 108.155 108.800 -0.070 0.000 2.733 437 G HA2 0.262 4.221 3.960 -0.002 0.000 0.686 437 G HA3 0.262 4.221 3.960 -0.002 0.000 0.686 437 G C 0.246 175.115 174.900 -0.053 0.000 1.373 437 G CA 0.376 45.441 45.100 -0.058 0.000 0.838 437 G HN 1.685 nan 8.290 nan 0.000 0.588 438 R N -0.851 119.627 120.500 -0.036 0.000 3.264 438 R HA -0.212 4.127 4.340 -0.002 0.000 0.251 438 R C 0.560 176.843 176.300 -0.028 0.000 0.971 438 R CA 1.049 57.134 56.100 -0.025 0.000 0.658 438 R CB -1.202 29.082 30.300 -0.027 0.000 1.095 438 R HN 0.717 nan 8.270 nan 0.000 0.443 439 N N -0.817 117.872 118.700 -0.018 0.000 2.167 439 N HA 0.085 4.824 4.740 -0.002 0.000 0.234 439 N C -0.811 174.726 175.510 0.046 0.000 1.312 439 N CA 0.005 53.045 53.050 -0.017 0.000 0.861 439 N CB 1.174 39.613 38.487 -0.080 0.000 1.217 439 N HN 0.061 nan 8.380 nan 0.000 0.504 440 V N 2.935 122.886 119.914 0.062 0.000 2.470 440 V HA 0.305 4.424 4.120 -0.002 0.000 0.276 440 V C -2.037 174.105 176.094 0.079 0.000 1.040 440 V CA -1.249 61.113 62.300 0.104 0.000 1.008 440 V CB 0.793 32.681 31.823 0.109 0.000 0.990 440 V HN 0.104 nan 8.190 nan 0.000 0.477 441 P HA 0.182 nan 4.420 nan 0.000 0.267 441 P C 1.012 178.269 177.300 -0.073 0.000 1.205 441 P CA 0.087 63.202 63.100 0.024 0.000 0.765 441 P CB 0.625 32.348 31.700 0.039 0.000 0.828 442 I N 2.458 122.980 120.570 -0.080 0.000 2.361 442 I HA -0.293 3.876 4.170 -0.002 0.000 0.251 442 I C 2.140 178.165 176.117 -0.154 0.000 1.133 442 I CA 1.537 62.787 61.300 -0.083 0.000 1.413 442 I CB -0.382 37.591 38.000 -0.045 0.000 1.073 442 I HN 0.393 nan 8.210 nan 0.000 0.424 443 A N 0.305 122.935 122.820 -0.316 0.000 2.024 443 A HA -0.130 4.189 4.320 -0.002 0.000 0.220 443 A C 1.790 179.187 177.584 -0.311 0.000 1.164 443 A CA 1.802 53.584 52.037 -0.425 0.000 0.643 443 A CB -0.636 17.758 19.000 -1.010 0.000 0.806 443 A HN 0.381 nan 8.150 nan 0.000 0.451 444 V N -1.601 118.149 119.914 -0.274 0.000 2.982 444 V HA 0.165 4.284 4.120 -0.002 0.000 0.368 444 V C 1.265 177.301 176.094 -0.098 0.000 1.350 444 V CA 0.361 62.575 62.300 -0.143 0.000 1.251 444 V CB -0.844 30.919 31.823 -0.101 0.000 1.284 444 V HN 0.708 nan 8.190 nan 0.000 0.533 445 Q N 1.547 121.303 119.800 -0.073 0.000 2.167 445 Q HA -0.023 4.316 4.340 -0.002 0.000 0.202 445 Q C 2.002 177.987 176.000 -0.026 0.000 0.970 445 Q CA 1.987 57.771 55.803 -0.032 0.000 0.855 445 Q CB -0.361 28.363 28.738 -0.024 0.000 0.911 445 Q HN 0.606 nan 8.270 nan 0.000 0.438 446 A N 1.089 123.887 122.820 -0.037 0.000 1.969 446 A HA -0.060 4.259 4.320 -0.002 0.000 0.218 446 A C 2.292 179.848 177.584 -0.047 0.000 1.169 446 A CA 1.316 53.333 52.037 -0.033 0.000 0.635 446 A CB -0.558 18.427 19.000 -0.026 0.000 0.810 446 A HN 0.257 nan 8.150 nan 0.000 0.445 447 V N -0.303 119.567 119.914 -0.074 0.000 2.358 447 V HA -0.187 3.933 4.120 -0.002 0.000 0.246 447 V C 2.983 179.031 176.094 -0.076 0.000 1.047 447 V CA 1.792 64.032 62.300 -0.100 0.000 1.035 447 V CB -1.201 30.475 31.823 -0.244 0.000 0.658 447 V HN 0.574 nan 8.190 nan 0.000 0.452 448 A N -0.443 122.361 122.820 -0.028 0.000 1.969 448 A HA -0.188 4.131 4.320 -0.002 0.000 0.218 448 A C 2.356 179.971 177.584 0.053 0.000 1.169 448 A CA 1.806 53.904 52.037 0.101 0.000 0.635 448 A CB -0.400 18.718 19.000 0.198 0.000 0.810 448 A HN 0.473 nan 8.150 nan 0.000 0.445 449 K N -0.224 120.182 120.400 0.009 0.000 2.103 449 K HA -0.014 4.305 4.320 -0.002 0.000 0.204 449 K C 2.127 178.686 176.600 -0.068 0.000 1.052 449 K CA 1.004 57.287 56.287 -0.006 0.000 0.945 449 K CB -0.259 32.238 32.500 -0.006 0.000 0.722 449 K HN 0.363 nan 8.250 nan 0.000 0.443 450 A N 0.669 123.432 122.820 -0.094 0.000 1.933 450 A HA -0.114 4.205 4.320 -0.002 0.000 0.218 450 A C 2.116 179.562 177.584 -0.231 0.000 1.175 450 A CA 1.890 53.854 52.037 -0.122 0.000 0.628 450 A CB -0.457 18.491 19.000 -0.087 0.000 0.814 450 A HN 0.324 nan 8.150 nan 0.000 0.444 451 S N -0.108 115.358 115.700 -0.390 0.000 2.382 451 S HA -0.099 4.370 4.470 -0.002 0.000 0.228 451 S C 1.757 175.968 174.600 -0.648 0.000 1.027 451 S CA 1.478 59.212 58.200 -0.777 0.000 0.991 451 S CB -0.465 61.825 63.200 -1.518 0.000 0.823 451 S HN 0.580 nan 8.310 nan 0.000 0.469 452 I N 1.660 122.020 120.570 -0.351 0.000 2.233 452 I HA -0.154 4.015 4.170 -0.002 0.000 0.243 452 I C 2.011 178.050 176.117 -0.130 0.000 1.093 452 I CA 1.060 62.294 61.300 -0.111 0.000 1.380 452 I CB -0.429 37.609 38.000 0.063 0.000 1.067 452 I HN 0.135 nan 8.210 nan 0.000 0.413 453 D N 0.713 121.040 120.400 -0.122 0.000 2.117 453 D HA -0.188 4.451 4.640 -0.002 0.000 0.197 453 D C 2.254 178.482 176.300 -0.120 0.000 0.987 453 D CA 1.311 55.256 54.000 -0.091 0.000 0.829 453 D CB -0.286 40.474 40.800 -0.066 0.000 0.961 453 D HN 0.425 nan 8.370 nan 0.000 0.460 454 Q N 0.203 119.899 119.800 -0.174 0.000 2.167 454 Q HA -0.026 4.313 4.340 -0.002 0.000 0.202 454 Q C 2.257 178.086 176.000 -0.285 0.000 0.970 454 Q CA 0.852 56.547 55.803 -0.179 0.000 0.855 454 Q CB 0.098 28.734 28.738 -0.170 0.000 0.911 454 Q HN 0.071 nan 8.270 nan 0.000 0.438 455 S N 0.430 115.860 115.700 -0.451 0.000 2.383 455 S HA -0.102 4.367 4.470 -0.002 0.000 0.227 455 S C 1.731 176.120 174.600 -0.350 0.000 1.026 455 S CA 0.952 58.687 58.200 -0.775 0.000 0.981 455 S CB -0.049 62.658 63.200 -0.821 0.000 0.818 455 S HN 0.312 nan 8.310 nan 0.000 0.472 456 R N 0.998 121.404 120.500 -0.158 0.000 2.075 456 R HA -0.016 4.323 4.340 -0.002 0.000 0.232 456 R C 2.420 178.717 176.300 -0.004 0.000 1.126 456 R CA 1.179 57.262 56.100 -0.028 0.000 0.963 456 R CB -0.222 30.072 30.300 -0.010 0.000 0.858 456 R HN 0.477 nan 8.270 nan 0.000 0.435 457 E N 0.796 120.976 120.200 -0.032 0.000 2.110 457 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 457 E C 1.491 178.110 176.600 0.031 0.000 0.988 457 E CA 1.069 57.471 56.400 0.003 0.000 0.804 457 E CB 0.115 29.813 29.700 -0.004 0.000 0.745 457 E HN 0.265 nan 8.360 nan 0.000 0.458 458 M N 0.472 120.087 119.600 0.024 0.000 2.628 458 M HA 0.031 4.510 4.480 -0.002 0.000 0.232 458 M C -0.359 176.063 176.300 0.203 0.000 1.128 458 M CA 0.229 55.595 55.300 0.111 0.000 1.040 458 M CB 0.503 33.206 32.600 0.173 0.000 1.608 458 M HN -0.164 nan 8.290 nan 0.000 0.507 459 K N 0.211 120.706 120.400 0.159 0.000 3.257 459 K HA -0.198 4.121 4.320 -0.002 0.000 0.270 459 K C -1.254 175.499 176.600 0.255 0.000 0.984 459 K CA 0.718 57.102 56.287 0.161 0.000 0.739 459 K CB -2.364 30.192 32.500 0.094 0.000 1.351 459 K HN 0.295 nan 8.250 nan 0.000 0.463 460 Y N 1.140 121.485 120.300 0.075 0.000 2.511 460 Y HA 0.001 4.550 4.550 -0.002 0.000 0.332 460 Y C 1.809 177.814 175.900 0.175 0.000 1.177 460 Y CA 0.026 58.219 58.100 0.155 0.000 1.422 460 Y CB 0.530 39.071 38.460 0.133 0.000 1.271 460 Y HN 0.185 nan 8.280 nan 0.000 0.550 461 Q N 1.134 121.102 119.800 0.279 0.000 2.471 461 Q HA 0.212 4.551 4.340 -0.002 0.000 0.223 461 Q C 0.327 176.499 176.000 0.287 0.000 1.045 461 Q CA -0.346 55.539 55.803 0.137 0.000 0.956 461 Q CB 0.587 29.227 28.738 -0.165 0.000 1.249 461 Q HN 0.809 nan 8.270 nan 0.000 0.549 462 S N 0.083 115.881 115.700 0.163 0.000 2.589 462 S HA -0.023 4.447 4.470 -0.002 0.000 0.265 462 S C 0.986 175.738 174.600 0.254 0.000 1.342 462 S CA -0.533 57.776 58.200 0.182 0.000 1.005 462 S CB 0.461 63.718 63.200 0.095 0.000 0.909 462 S HN 0.663 nan 8.310 nan 0.000 0.555 463 L N 1.407 122.745 121.223 0.193 0.000 2.013 463 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 463 L C 2.014 178.973 176.870 0.148 0.000 1.073 463 L CA 2.109 57.057 54.840 0.181 0.000 0.753 463 L CB -1.200 40.919 42.059 0.101 0.000 0.890 463 L HN 0.741 nan 8.230 nan 0.000 0.432 464 N N -0.298 118.443 118.700 0.069 0.000 2.309 464 N HA -0.147 4.592 4.740 -0.002 0.000 0.182 464 N C 1.731 177.239 175.510 -0.005 0.000 1.018 464 N CA 1.110 54.163 53.050 0.006 0.000 0.876 464 N CB -0.209 38.261 38.487 -0.028 0.000 0.972 464 N HN 0.496 nan 8.380 nan 0.000 0.434 465 E N -0.077 120.121 120.200 -0.003 0.000 2.072 465 E HA -0.103 4.246 4.350 -0.002 0.000 0.191 465 E C 1.654 178.188 176.600 -0.109 0.000 0.985 465 E CA 0.808 57.149 56.400 -0.098 0.000 0.801 465 E CB -0.383 29.212 29.700 -0.175 0.000 0.750 465 E HN 0.491 nan 8.360 nan 0.000 0.452 466 Y N 0.931 121.263 120.300 0.053 0.000 2.314 466 Y HA -0.049 4.500 4.550 -0.002 0.000 0.293 466 Y C 2.529 178.532 175.900 0.172 0.000 1.129 466 Y CA 0.932 59.115 58.100 0.138 0.000 1.201 466 Y CB -0.038 38.496 38.460 0.123 0.000 0.999 466 Y HN -0.041 nan 8.280 nan 0.000 0.541 467 R N 0.194 120.811 120.500 0.194 0.000 2.066 467 R HA -0.142 4.197 4.340 -0.002 0.000 0.232 467 R C 2.151 178.489 176.300 0.064 0.000 1.131 467 R CA 1.475 57.628 56.100 0.088 0.000 0.955 467 R CB -0.195 30.074 30.300 -0.051 0.000 0.851 467 R HN 0.268 nan 8.270 nan 0.000 0.432 468 K N 0.086 120.488 120.400 0.003 0.000 2.097 468 K HA -0.185 4.134 4.320 -0.002 0.000 0.206 468 K C 2.124 178.698 176.600 -0.043 0.000 1.049 468 K CA 1.233 57.494 56.287 -0.044 0.000 0.933 468 K CB -0.118 32.330 32.500 -0.088 0.000 0.717 468 K HN -0.068 nan 8.250 nan 0.000 0.442 469 R N 0.747 121.233 120.500 -0.023 0.000 2.120 469 R HA -0.101 4.238 4.340 -0.002 0.000 0.234 469 R C 0.847 177.016 176.300 -0.218 0.000 1.123 469 R CA 1.502 57.532 56.100 -0.116 0.000 0.975 469 R CB -0.300 29.942 30.300 -0.097 0.000 0.866 469 R HN 0.078 nan 8.270 nan 0.000 0.446 470 F N 0.543 120.476 119.950 -0.028 0.000 2.837 470 F HA 0.309 4.835 4.527 -0.002 0.000 0.298 470 F C 0.301 176.085 175.800 -0.026 0.000 1.161 470 F CA -0.130 57.851 58.000 -0.032 0.000 1.353 470 F CB 0.337 39.320 39.000 -0.029 0.000 0.951 470 F HN -0.094 nan 8.300 nan 0.000 0.508 471 S N 0.867 116.604 115.700 0.062 0.000 3.641 471 S HA -0.196 4.273 4.470 -0.002 0.000 0.346 471 S C -0.167 174.452 174.600 0.031 0.000 1.074 471 S CA 0.261 58.483 58.200 0.035 0.000 1.026 471 S CB -1.915 61.314 63.200 0.048 0.000 0.908 471 S HN 0.316 nan 8.310 nan 0.000 0.479 472 L N 0.386 121.618 121.223 0.014 0.000 2.334 472 L HA 0.495 4.834 4.340 -0.002 0.000 0.273 472 L C 0.527 177.341 176.870 -0.093 0.000 1.013 472 L CA -0.883 53.934 54.840 -0.039 0.000 0.816 472 L CB 1.088 43.115 42.059 -0.054 0.000 1.278 472 L HN -0.013 nan 8.230 nan 0.000 0.431 473 K N 2.505 122.830 120.400 -0.126 0.000 2.368 473 K HA 0.229 4.548 4.320 -0.002 0.000 0.282 473 K C -2.327 174.124 176.600 -0.248 0.000 1.035 473 K CA -1.506 54.694 56.287 -0.145 0.000 0.973 473 K CB 0.353 32.786 32.500 -0.112 0.000 0.957 473 K HN 0.225 nan 8.250 nan 0.000 0.474 474 P HA -0.000 nan 4.420 nan 0.000 0.271 474 P C -0.970 176.213 177.300 -0.195 0.000 1.216 474 P CA -0.038 62.939 63.100 -0.205 0.000 0.776 474 P CB 0.291 31.925 31.700 -0.110 0.000 0.881 475 Y N 0.358 120.609 120.300 -0.082 0.000 2.511 475 Y HA 0.047 4.596 4.550 -0.002 0.000 0.332 475 Y C 2.135 177.956 175.900 -0.132 0.000 1.177 475 Y CA 0.254 58.290 58.100 -0.108 0.000 1.422 475 Y CB 0.347 38.722 38.460 -0.143 0.000 1.271 475 Y HN 0.410 nan 8.280 nan 0.000 0.550 476 T N -2.576 112.022 114.554 0.074 0.000 3.044 476 T HA 0.166 4.515 4.350 -0.002 0.000 0.250 476 T C 0.258 174.932 174.700 -0.043 0.000 1.081 476 T CA 0.339 62.438 62.100 -0.002 0.000 1.040 476 T CB -0.039 68.835 68.868 0.010 0.000 0.962 476 T HN 0.513 nan 8.240 nan 0.000 0.506 477 S N -0.926 114.730 115.700 -0.073 0.000 2.625 477 S HA 0.597 5.066 4.470 -0.002 0.000 0.271 477 S C -0.235 174.237 174.600 -0.214 0.000 1.161 477 S CA -0.956 57.180 58.200 -0.107 0.000 0.820 477 S CB 0.338 63.540 63.200 0.004 0.000 1.137 477 S HN -0.053 nan 8.310 nan 0.000 0.470 478 F N 0.958 120.877 119.950 -0.051 0.000 2.407 478 F HA 0.168 4.694 4.527 -0.002 0.000 0.299 478 F C 2.450 178.175 175.800 -0.125 0.000 1.097 478 F CA 0.931 58.873 58.000 -0.097 0.000 1.422 478 F CB -0.197 38.767 39.000 -0.060 0.000 1.067 478 F HN 0.677 nan 8.300 nan 0.000 0.539 479 E N 0.096 120.336 120.200 0.068 0.000 2.107 479 E HA -0.218 4.131 4.350 -0.002 0.000 0.191 479 E C 2.033 178.589 176.600 -0.073 0.000 0.982 479 E CA 0.932 57.333 56.400 0.002 0.000 0.809 479 E CB -0.159 29.552 29.700 0.018 0.000 0.756 479 E HN 0.484 nan 8.360 nan 0.000 0.459 480 E N 0.649 120.785 120.200 -0.106 0.000 2.150 480 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 480 E C 2.122 178.455 176.600 -0.446 0.000 0.985 480 E CA 0.361 56.674 56.400 -0.146 0.000 0.814 480 E CB 0.131 29.823 29.700 -0.013 0.000 0.752 480 E HN 0.102 nan 8.360 nan 0.000 0.466 481 L N 0.570 121.399 121.223 -0.657 0.000 2.044 481 L HA -0.108 4.231 4.340 -0.002 0.000 0.205 481 L C 2.429 179.034 176.870 -0.442 0.000 1.075 481 L CA 2.507 56.773 54.840 -0.957 0.000 0.747 481 L CB -0.721 40.936 42.059 -0.671 0.000 0.903 481 L HN 0.184 nan 8.230 nan 0.000 0.435 482 T N -4.002 110.414 114.554 -0.231 0.000 3.035 482 T HA 0.247 4.596 4.350 -0.002 0.000 0.259 482 T C 1.593 176.232 174.700 -0.102 0.000 1.078 482 T CA 0.420 62.443 62.100 -0.129 0.000 1.132 482 T CB -0.463 68.365 68.868 -0.066 0.000 0.900 482 T HN 0.691 nan 8.240 nan 0.000 0.480 483 G N 1.266 110.005 108.800 -0.101 0.000 2.155 483 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.257 483 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.257 483 G C -0.158 174.716 174.900 -0.042 0.000 0.983 483 G CA 0.547 45.609 45.100 -0.062 0.000 0.676 483 G HN 0.909 nan 8.290 nan 0.000 0.528 484 E N -0.928 119.247 120.200 -0.040 0.000 2.433 484 E HA 0.481 4.830 4.350 -0.002 0.000 0.278 484 E C 0.484 177.072 176.600 -0.019 0.000 0.976 484 E CA -0.821 55.561 56.400 -0.029 0.000 0.793 484 E CB 0.846 30.526 29.700 -0.035 0.000 1.311 484 E HN 0.078 nan 8.360 nan 0.000 0.460 485 K N 0.770 121.161 120.400 -0.015 0.000 2.308 485 K HA 0.072 4.391 4.320 -0.002 0.000 0.197 485 K C 1.597 178.190 176.600 -0.012 0.000 1.049 485 K CA 0.251 56.533 56.287 -0.008 0.000 0.991 485 K CB 0.521 33.017 32.500 -0.006 0.000 0.836 485 K HN 0.473 nan 8.250 nan 0.000 0.500 486 E N 1.328 121.517 120.200 -0.018 0.000 2.021 486 E HA -0.077 4.272 4.350 -0.002 0.000 0.189 486 E C 1.990 178.573 176.600 -0.028 0.000 0.980 486 E CA 0.851 57.238 56.400 -0.022 0.000 0.803 486 E CB 0.139 29.827 29.700 -0.021 0.000 0.766 486 E HN 0.130 nan 8.360 nan 0.000 0.449 487 M N 0.387 119.970 119.600 -0.028 0.000 2.213 487 M HA -0.132 4.347 4.480 -0.002 0.000 0.263 487 M C 2.391 178.667 176.300 -0.040 0.000 1.062 487 M CA 1.294 56.575 55.300 -0.032 0.000 1.105 487 M CB -0.141 32.442 32.600 -0.029 0.000 1.385 487 M HN 0.204 nan 8.290 nan 0.000 0.417 488 A N 0.535 123.343 122.820 -0.021 0.000 1.883 488 A HA -0.111 4.208 4.320 -0.002 0.000 0.217 488 A C 2.360 179.895 177.584 -0.082 0.000 1.186 488 A CA 2.052 54.092 52.037 0.005 0.000 0.624 488 A CB -0.941 18.093 19.000 0.056 0.000 0.822 488 A HN 0.503 nan 8.150 nan 0.000 0.444 489 A N -0.644 122.140 122.820 -0.060 0.000 1.969 489 A HA -0.115 4.204 4.320 -0.002 0.000 0.218 489 A C 1.939 179.456 177.584 -0.112 0.000 1.169 489 A CA 1.517 53.509 52.037 -0.075 0.000 0.635 489 A CB -0.379 18.597 19.000 -0.039 0.000 0.810 489 A HN 0.518 nan 8.150 nan 0.000 0.445 490 E N 0.019 120.160 120.200 -0.098 0.000 2.072 490 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 490 E C 1.977 178.497 176.600 -0.133 0.000 0.985 490 E CA 1.002 57.348 56.400 -0.091 0.000 0.801 490 E CB -0.312 29.354 29.700 -0.056 0.000 0.750 490 E HN 0.677 nan 8.360 nan 0.000 0.452 491 L N 0.576 121.673 121.223 -0.209 0.000 2.156 491 L HA -0.080 4.259 4.340 -0.002 0.000 0.208 491 L C 2.595 179.057 176.870 -0.680 0.000 1.095 491 L CA 0.837 55.491 54.840 -0.311 0.000 0.770 491 L CB -0.195 41.658 42.059 -0.342 0.000 0.914 491 L HN 0.002 nan 8.230 nan 0.000 0.439 492 K N 0.340 120.271 120.400 -0.782 0.000 2.217 492 K HA -0.083 4.236 4.320 -0.002 0.000 0.202 492 K C 2.082 178.542 176.600 -0.233 0.000 1.051 492 K CA 0.979 56.887 56.287 -0.631 0.000 0.952 492 K CB 0.049 32.375 32.500 -0.290 0.000 0.736 492 K HN 0.261 nan 8.250 nan 0.000 0.453 493 A N 0.632 123.347 122.820 -0.176 0.000 2.014 493 A HA -0.027 4.292 4.320 -0.002 0.000 0.218 493 A C 1.886 179.411 177.584 -0.099 0.000 1.163 493 A CA 0.885 52.862 52.037 -0.100 0.000 0.652 493 A CB -0.209 18.743 19.000 -0.081 0.000 0.808 493 A HN 0.236 nan 8.150 nan 0.000 0.449 494 L N -2.905 118.242 121.223 -0.127 0.000 2.145 494 L HA -0.002 4.337 4.340 -0.002 0.000 0.201 494 L C 2.320 179.056 176.870 -0.223 0.000 1.075 494 L CA 1.010 55.740 54.840 -0.182 0.000 0.773 494 L CB -0.362 41.567 42.059 -0.216 0.000 0.936 494 L HN 0.426 nan 8.230 nan 0.000 0.451 495 Y N -1.184 119.056 120.300 -0.100 0.000 2.476 495 Y HA 0.001 4.550 4.550 -0.002 0.000 0.283 495 Y C 2.059 178.013 175.900 0.091 0.000 1.109 495 Y CA 0.570 58.690 58.100 0.034 0.000 1.246 495 Y CB 0.422 38.982 38.460 0.167 0.000 1.068 495 Y HN 0.097 nan 8.280 nan 0.000 0.552 496 S N -1.132 114.677 115.700 0.182 0.000 1.703 496 S HA -0.285 4.184 4.470 -0.002 0.000 0.232 496 S C -0.066 174.718 174.600 0.307 0.000 0.865 496 S CA 1.758 60.064 58.200 0.176 0.000 1.462 496 S CB -1.241 62.026 63.200 0.112 0.000 1.879 496 S HN 0.538 nan 8.310 nan 0.000 0.532 497 D N -0.340 120.280 120.400 0.366 0.000 2.481 497 D HA 0.644 5.283 4.640 -0.002 0.000 0.244 497 D C 0.526 176.968 176.300 0.236 0.000 1.057 497 D CA -0.539 53.628 54.000 0.277 0.000 0.848 497 D CB 1.209 42.101 40.800 0.154 0.000 1.388 497 D HN 0.047 nan 8.370 nan 0.000 0.475 498 I N 2.001 122.502 120.570 -0.115 0.000 2.493 498 I HA -0.096 4.073 4.170 -0.002 0.000 0.254 498 I C 0.949 176.936 176.117 -0.215 0.000 1.160 498 I CA 1.280 62.251 61.300 -0.548 0.000 1.445 498 I CB 0.025 37.657 38.000 -0.614 0.000 1.086 498 I HN 0.377 nan 8.210 nan 0.000 0.433 499 D N -0.295 120.062 120.400 -0.070 0.000 2.378 499 D HA 0.011 4.650 4.640 -0.002 0.000 0.227 499 D C 1.776 178.097 176.300 0.034 0.000 1.012 499 D CA 0.632 54.620 54.000 -0.020 0.000 0.905 499 D CB 0.303 41.098 40.800 -0.008 0.000 0.895 499 D HN 0.297 nan 8.370 nan 0.000 0.532 500 V N 0.105 120.068 119.914 0.082 0.000 3.605 500 V HA 0.124 4.244 4.120 -0.002 0.000 0.284 500 V C 0.681 176.883 176.094 0.181 0.000 1.386 500 V CA -0.281 62.120 62.300 0.169 0.000 1.053 500 V CB 0.030 32.000 31.823 0.245 0.000 0.857 500 V HN 0.062 nan 8.190 nan 0.000 0.436 501 M N 1.867 121.466 119.600 -0.002 0.000 2.252 501 M HA 0.147 4.626 4.480 -0.002 0.000 0.348 501 M C 0.303 176.559 176.300 -0.073 0.000 1.334 501 M CA 0.389 55.529 55.300 -0.266 0.000 1.071 501 M CB -0.253 32.204 32.600 -0.238 0.000 1.763 501 M HN 0.316 nan 8.290 nan 0.000 0.452 502 E N 3.346 123.508 120.200 -0.063 0.000 2.349 502 E HA 0.081 4.430 4.350 -0.002 0.000 0.265 502 E C 0.587 177.240 176.600 0.089 0.000 1.064 502 E CA -0.506 55.961 56.400 0.112 0.000 0.886 502 E CB 0.890 30.710 29.700 0.201 0.000 1.036 502 E HN 0.776 nan 8.360 nan 0.000 0.413 503 L N 2.832 124.144 121.223 0.149 0.000 2.005 503 L HA -0.201 4.138 4.340 -0.002 0.000 0.207 503 L C 2.123 179.045 176.870 0.088 0.000 1.072 503 L CA 1.794 56.699 54.840 0.109 0.000 0.744 503 L CB -0.638 41.463 42.059 0.069 0.000 0.895 503 L HN 0.706 nan 8.230 nan 0.000 0.433 504 Y N 1.093 121.390 120.300 -0.006 0.000 2.070 504 Y HA -0.132 4.417 4.550 -0.001 0.000 0.280 504 Y C -0.594 175.311 175.900 0.009 0.000 1.148 504 Y CA 1.997 60.081 58.100 -0.025 0.000 1.125 504 Y CB -1.890 36.513 38.460 -0.096 0.000 0.975 504 Y HN 0.236 nan 8.280 nan 0.000 0.492 505 P HA -0.154 nan 4.420 nan 0.000 0.216 505 P C 1.395 178.593 177.300 -0.170 0.000 1.150 505 P CA 2.430 65.402 63.100 -0.213 0.000 0.837 505 P CB -0.356 31.359 31.700 0.025 0.000 0.786 506 A N -0.698 122.064 122.820 -0.097 0.000 1.969 506 A HA -0.134 4.185 4.320 -0.002 0.000 0.218 506 A C 2.170 179.714 177.584 -0.068 0.000 1.169 506 A CA 1.224 53.221 52.037 -0.066 0.000 0.635 506 A CB -1.603 17.383 19.000 -0.023 0.000 0.810 506 A HN 0.126 nan 8.150 nan 0.000 0.445 507 L N -0.688 120.481 121.223 -0.089 0.000 2.093 507 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 507 L C 2.271 179.090 176.870 -0.085 0.000 1.085 507 L CA 0.930 55.728 54.840 -0.069 0.000 0.755 507 L CB -0.360 41.668 42.059 -0.051 0.000 0.904 507 L HN 0.376 nan 8.230 nan 0.000 0.435 508 L N -0.773 120.354 121.223 -0.161 0.000 2.341 508 L HA -0.035 4.304 4.340 -0.002 0.000 0.214 508 L C 2.019 178.833 176.870 -0.094 0.000 1.115 508 L CA 0.406 55.167 54.840 -0.130 0.000 0.820 508 L CB -0.213 41.724 42.059 -0.203 0.000 0.944 508 L HN 0.235 nan 8.230 nan 0.000 0.452 509 V N -4.298 115.560 119.914 -0.093 0.000 3.578 509 V HA 0.163 4.282 4.120 -0.002 0.000 0.290 509 V C 0.901 176.950 176.094 -0.075 0.000 1.376 509 V CA -0.349 61.907 62.300 -0.073 0.000 1.083 509 V CB -0.182 31.606 31.823 -0.059 0.000 0.911 509 V HN 0.235 nan 8.190 nan 0.000 0.433 510 E N 2.329 122.486 120.200 -0.073 0.000 2.415 510 E HA 0.055 4.404 4.350 -0.002 0.000 0.262 510 E C 0.272 176.827 176.600 -0.075 0.000 1.038 510 E CA -0.335 56.018 56.400 -0.079 0.000 0.921 510 E CB 0.543 30.226 29.700 -0.029 0.000 0.950 510 E HN 0.503 nan 8.360 nan 0.000 0.438 511 K N 5.297 125.641 120.400 -0.094 0.000 2.430 511 K HA 0.070 4.389 4.320 -0.002 0.000 0.280 511 K C -2.297 174.273 176.600 -0.050 0.000 1.063 511 K CA -1.184 55.060 56.287 -0.072 0.000 1.071 511 K CB 0.320 32.775 32.500 -0.075 0.000 0.899 511 K HN 0.218 nan 8.250 nan 0.000 0.473 512 P HA 0.186 nan 4.420 nan 0.000 0.277 512 P C -0.840 176.421 177.300 -0.064 0.000 1.240 512 P CA -0.542 62.517 63.100 -0.069 0.000 0.798 512 P CB 0.644 32.285 31.700 -0.098 0.000 0.979 513 R N 2.415 122.860 120.500 -0.091 0.000 2.784 513 R HA 0.185 4.524 4.340 -0.002 0.000 0.266 513 R C -1.927 174.361 176.300 -0.021 0.000 1.044 513 R CA -1.089 54.962 56.100 -0.082 0.000 1.151 513 R CB -1.473 28.670 30.300 -0.261 0.000 1.037 513 R HN 0.401 nan 8.270 nan 0.000 0.478 514 P HA -0.072 nan 4.420 nan 0.000 0.258 514 P C -0.824 176.479 177.300 0.005 0.000 1.172 514 P CA 0.753 63.879 63.100 0.044 0.000 0.762 514 P CB 0.262 32.028 31.700 0.111 0.000 0.764 515 D N -0.088 120.289 120.400 -0.039 0.000 2.955 515 D HA -0.214 4.425 4.640 -0.002 0.000 0.226 515 D C 0.296 176.523 176.300 -0.121 0.000 1.178 515 D CA 1.697 55.651 54.000 -0.077 0.000 0.808 515 D CB -1.433 39.325 40.800 -0.070 0.000 1.099 515 D HN 0.477 nan 8.370 nan 0.000 0.421 516 A N -0.440 122.302 122.820 -0.129 0.000 2.299 516 A HA 0.751 5.071 4.320 -0.002 0.000 0.332 516 A C 1.200 178.605 177.584 -0.298 0.000 1.131 516 A CA -0.476 51.442 52.037 -0.198 0.000 0.844 516 A CB 1.090 20.015 19.000 -0.124 0.000 1.251 516 A HN 0.132 nan 8.150 nan 0.000 0.486 517 I N -1.125 119.150 120.570 -0.492 0.000 2.703 517 I HA 0.199 4.368 4.170 -0.002 0.000 0.259 517 I C -0.637 175.062 176.117 -0.697 0.000 1.151 517 I CA 0.495 61.367 61.300 -0.714 0.000 1.470 517 I CB -0.020 37.327 38.000 -1.088 0.000 1.112 517 I HN 0.488 nan 8.210 nan 0.000 0.437 518 F N -0.106 119.687 119.950 -0.262 0.000 2.556 518 F HA 0.628 5.154 4.527 -0.002 0.000 0.327 518 F C 0.869 176.564 175.800 -0.176 0.000 1.059 518 F CA -1.075 56.784 58.000 -0.234 0.000 0.953 518 F CB 0.544 39.398 39.000 -0.244 0.000 1.227 518 F HN -0.222 nan 8.300 nan 0.000 0.478 519 G N -0.341 108.510 108.800 0.086 0.000 2.532 519 G HA2 0.226 4.185 3.960 -0.002 0.000 0.291 519 G HA3 0.226 4.185 3.960 -0.002 0.000 0.291 519 G C 0.623 175.533 174.900 0.017 0.000 1.349 519 G CA -0.306 44.804 45.100 0.018 0.000 1.038 519 G HN 0.728 nan 8.290 nan 0.000 0.518 520 E N -1.166 119.049 120.200 0.025 0.000 2.038 520 E HA -0.167 4.182 4.350 -0.002 0.000 0.195 520 E C 2.433 179.042 176.600 0.015 0.000 1.000 520 E CA 1.856 58.268 56.400 0.021 0.000 0.803 520 E CB -0.236 29.495 29.700 0.051 0.000 0.750 520 E HN 0.460 nan 8.360 nan 0.000 0.448 521 T N 1.059 115.632 114.554 0.032 0.000 2.746 521 T HA -0.219 4.130 4.350 -0.002 0.000 0.267 521 T C 1.760 176.425 174.700 -0.058 0.000 1.039 521 T CA 1.636 63.734 62.100 -0.004 0.000 1.142 521 T CB -0.277 68.615 68.868 0.040 0.000 0.866 521 T HN 0.174 nan 8.240 nan 0.000 0.444 522 M N 1.319 120.880 119.600 -0.065 0.000 2.108 522 M HA -0.062 4.417 4.480 -0.002 0.000 0.261 522 M C 2.098 178.303 176.300 -0.158 0.000 1.066 522 M CA 1.422 56.628 55.300 -0.156 0.000 1.107 522 M CB -0.603 31.814 32.600 -0.305 0.000 1.356 522 M HN 0.080 nan 8.290 nan 0.000 0.406 523 V N 0.144 120.009 119.914 -0.082 0.000 2.358 523 V HA -0.192 3.927 4.120 -0.002 0.000 0.246 523 V C 2.290 178.384 176.094 0.000 0.000 1.047 523 V CA 1.780 64.076 62.300 -0.007 0.000 1.035 523 V CB -0.931 30.935 31.823 0.072 0.000 0.658 523 V HN 0.426 nan 8.190 nan 0.000 0.452 524 E N -0.056 120.129 120.200 -0.024 0.000 2.358 524 E HA 0.012 4.361 4.350 -0.002 0.000 0.195 524 E C 2.086 178.570 176.600 -0.194 0.000 1.010 524 E CA 0.665 57.050 56.400 -0.025 0.000 0.856 524 E CB 0.057 29.769 29.700 0.021 0.000 0.795 524 E HN 0.528 nan 8.360 nan 0.000 0.504 525 L N -0.691 120.318 121.223 -0.356 0.000 2.200 525 L HA 0.130 4.469 4.340 -0.002 0.000 0.200 525 L C 2.436 179.140 176.870 -0.276 0.000 1.072 525 L CA 0.993 55.386 54.840 -0.745 0.000 0.787 525 L CB -0.888 40.829 42.059 -0.570 0.000 0.957 525 L HN 0.111 nan 8.230 nan 0.000 0.459 526 G N 0.355 109.147 108.800 -0.014 0.000 2.421 526 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.216 526 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.216 526 G C 1.791 176.784 174.900 0.155 0.000 1.171 526 G CA 0.980 46.202 45.100 0.204 0.000 0.775 526 G HN 0.420 nan 8.290 nan 0.000 0.543 527 A N 1.678 124.547 122.820 0.081 0.000 1.877 527 A HA 0.048 4.367 4.320 -0.002 0.000 0.216 527 A C 0.814 178.427 177.584 0.049 0.000 1.186 527 A CA 2.067 54.165 52.037 0.102 0.000 0.620 527 A CB -1.228 17.842 19.000 0.117 0.000 0.822 527 A HN 0.381 nan 8.150 nan 0.000 0.443 528 P HA -0.134 nan 4.420 nan 0.000 0.215 528 P C 1.213 178.427 177.300 -0.143 0.000 1.157 528 P CA 1.137 64.194 63.100 -0.071 0.000 0.868 528 P CB -0.218 31.445 31.700 -0.063 0.000 0.788 529 F N -0.641 119.194 119.950 -0.192 0.000 2.134 529 F HA -0.181 4.345 4.527 -0.002 0.000 0.299 529 F C 2.756 178.164 175.800 -0.653 0.000 1.097 529 F CA 1.389 59.036 58.000 -0.588 0.000 1.264 529 F CB -0.859 37.402 39.000 -1.232 0.000 1.001 529 F HN -0.043 nan 8.300 nan 0.000 0.479 530 S N 0.622 116.204 115.700 -0.197 0.000 2.345 530 S HA -0.143 4.326 4.470 -0.002 0.000 0.220 530 S C 2.010 176.697 174.600 0.145 0.000 1.031 530 S CA 1.167 59.451 58.200 0.139 0.000 0.996 530 S CB -0.494 62.950 63.200 0.407 0.000 0.882 530 S HN 0.294 nan 8.310 nan 0.000 0.445 531 L N 0.892 122.192 121.223 0.128 0.000 2.093 531 L HA -0.025 4.314 4.340 -0.002 0.000 0.208 531 L C 2.665 179.628 176.870 0.155 0.000 1.085 531 L CA 1.413 56.339 54.840 0.143 0.000 0.755 531 L CB -0.470 41.669 42.059 0.134 0.000 0.904 531 L HN 0.301 nan 8.230 nan 0.000 0.435 532 K N 0.846 121.321 120.400 0.124 0.000 2.097 532 K HA -0.094 4.225 4.320 -0.002 0.000 0.205 532 K C 1.938 178.611 176.600 0.120 0.000 1.050 532 K CA 1.526 57.901 56.287 0.147 0.000 0.938 532 K CB -0.656 31.870 32.500 0.042 0.000 0.718 532 K HN 0.182 nan 8.250 nan 0.000 0.442 533 G N 0.436 109.262 108.800 0.045 0.000 2.408 533 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.217 533 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.217 533 G C 1.456 176.396 174.900 0.066 0.000 1.150 533 G CA 0.960 46.055 45.100 -0.009 0.000 0.776 533 G HN 0.290 nan 8.290 nan 0.000 0.542 534 L N -0.224 121.075 121.223 0.127 0.000 2.102 534 L HA 0.105 4.444 4.340 -0.002 0.000 0.202 534 L C 2.821 179.799 176.870 0.180 0.000 1.076 534 L CA 0.522 55.448 54.840 0.144 0.000 0.761 534 L CB -0.226 41.910 42.059 0.130 0.000 0.921 534 L HN 0.088 nan 8.230 nan 0.000 0.444 535 M N -0.488 119.240 119.600 0.215 0.000 2.447 535 M HA 0.082 4.562 4.480 -0.002 0.000 0.264 535 M C 2.118 178.677 176.300 0.431 0.000 1.095 535 M CA 0.900 56.331 55.300 0.219 0.000 1.125 535 M CB -1.369 31.213 32.600 -0.031 0.000 1.389 535 M HN 0.235 nan 8.290 nan 0.000 0.459 536 G N 0.589 109.660 108.800 0.452 0.000 2.848 536 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.208 536 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.208 536 G C 0.771 175.871 174.900 0.335 0.000 1.152 536 G CA -0.150 45.193 45.100 0.406 0.000 0.789 536 G HN 0.402 nan 8.290 nan 0.000 0.531 537 N N 1.143 120.015 118.700 0.286 0.000 2.492 537 N HA 0.056 4.795 4.740 -0.002 0.000 0.262 537 N C -1.091 174.537 175.510 0.196 0.000 1.202 537 N CA -1.332 51.838 53.050 0.200 0.000 0.926 537 N CB 1.958 40.554 38.487 0.181 0.000 1.078 537 N HN -0.074 nan 8.380 nan 0.000 0.454 538 P HA -0.173 nan 4.420 nan 0.000 0.218 538 P C 1.469 178.590 177.300 -0.299 0.000 1.146 538 P CA 1.250 64.222 63.100 -0.213 0.000 0.813 538 P CB -0.131 31.290 31.700 -0.464 0.000 0.778 539 I N -3.371 117.176 120.570 -0.039 0.000 2.756 539 I HA -0.113 4.056 4.170 -0.002 0.000 0.262 539 I C 1.594 178.020 176.117 0.515 0.000 1.225 539 I CA 1.357 62.856 61.300 0.333 0.000 1.472 539 I CB -1.150 37.193 38.000 0.572 0.000 1.094 539 I HN -0.159 nan 8.210 nan 0.000 0.454 540 C N 1.336 120.821 119.300 0.310 0.000 2.618 540 C HA 0.201 4.660 4.460 -0.002 0.000 0.264 540 C C 1.749 176.830 174.990 0.153 0.000 1.334 540 C CA 0.174 59.329 59.018 0.228 0.000 1.731 540 C CB -1.744 26.157 27.740 0.269 0.000 1.852 540 C HN 0.702 nan 8.230 nan 0.000 0.566 541 S N 2.326 117.927 115.700 -0.165 0.000 2.592 541 S HA 0.210 4.679 4.470 -0.002 0.000 0.271 541 S C -1.238 173.314 174.600 -0.079 0.000 1.326 541 S CA -0.654 57.163 58.200 -0.638 0.000 1.024 541 S CB 0.816 63.622 63.200 -0.656 0.000 0.921 541 S HN 0.166 nan 8.310 nan 0.000 0.527 542 P HA -0.149 nan 4.420 nan 0.000 0.218 542 P C 1.200 178.411 177.300 -0.149 0.000 1.148 542 P CA 1.242 63.999 63.100 -0.571 0.000 0.822 542 P CB 0.036 31.233 31.700 -0.838 0.000 0.784 543 Q N -1.755 118.007 119.800 -0.063 0.000 2.311 543 Q HA -0.076 4.263 4.340 -0.002 0.000 0.203 543 Q C 2.027 177.995 176.000 -0.053 0.000 0.954 543 Q CA 1.129 56.903 55.803 -0.049 0.000 0.885 543 Q CB -0.371 28.339 28.738 -0.048 0.000 0.963 543 Q HN 0.475 nan 8.270 nan 0.000 0.471 544 Y N -1.702 118.605 120.300 0.011 0.000 2.389 544 Y HA -0.007 4.542 4.550 -0.002 0.000 0.292 544 Y C 1.166 177.175 175.900 0.181 0.000 1.117 544 Y CA -0.184 57.946 58.100 0.051 0.000 1.195 544 Y CB 0.282 38.812 38.460 0.118 0.000 1.076 544 Y HN 0.172 nan 8.280 nan 0.000 0.548 545 W N 5.192 126.676 121.300 0.307 0.000 1.839 545 W HA 0.194 4.853 4.660 -0.002 0.000 0.489 545 W C -0.715 175.959 176.519 0.257 0.000 0.789 545 W CA 0.302 57.909 57.345 0.437 0.000 1.900 545 W CB -0.587 29.189 29.460 0.527 0.000 1.773 545 W HN 0.091 nan 8.180 nan 0.000 0.251 546 K N 3.032 123.317 120.400 -0.190 0.000 2.568 546 K HA 0.344 4.663 4.320 -0.002 0.000 0.273 546 K C -2.668 173.541 176.600 -0.651 0.000 0.951 546 K CA -1.514 54.476 56.287 -0.496 0.000 0.854 546 K CB 1.437 33.786 32.500 -0.252 0.000 1.424 546 K HN -0.269 nan 8.250 nan 0.000 0.427 547 P HA -0.254 nan 4.420 nan 0.000 0.217 547 P C 1.411 178.602 177.300 -0.180 0.000 1.151 547 P CA 1.569 64.336 63.100 -0.555 0.000 0.849 547 P CB 0.156 31.626 31.700 -0.383 0.000 0.787 548 S N -1.587 113.996 115.700 -0.196 0.000 2.400 548 S HA -0.160 4.309 4.470 -0.002 0.000 0.232 548 S C 1.777 176.285 174.600 -0.154 0.000 1.025 548 S CA 2.031 60.162 58.200 -0.116 0.000 0.993 548 S CB -1.251 61.873 63.200 -0.126 0.000 0.808 548 S HN 0.186 nan 8.310 nan 0.000 0.478 549 T N 0.672 115.015 114.554 -0.351 0.000 2.867 549 T HA 0.009 4.358 4.350 -0.002 0.000 0.268 549 T C 0.746 175.143 174.700 -0.505 0.000 1.057 549 T CA 1.124 62.885 62.100 -0.566 0.000 1.136 549 T CB -0.352 67.954 68.868 -0.938 0.000 0.874 549 T HN 0.549 nan 8.240 nan 0.000 0.466 550 F N 0.432 120.448 119.950 0.109 0.000 2.684 550 F HA 0.491 5.017 4.527 -0.001 0.000 0.298 550 F C 1.608 177.539 175.800 0.218 0.000 1.120 550 F CA -0.510 57.601 58.000 0.186 0.000 1.332 550 F CB 0.107 39.251 39.000 0.240 0.000 0.986 550 F HN 0.207 nan 8.300 nan 0.000 0.524 551 G N 0.258 109.258 108.800 0.334 0.000 2.136 551 G HA2 0.121 4.080 3.960 -0.002 0.000 0.242 551 G HA3 0.121 4.080 3.960 -0.002 0.000 0.242 551 G C 0.564 175.654 174.900 0.317 0.000 0.989 551 G CA -0.063 45.263 45.100 0.377 0.000 0.682 551 G HN 1.204 nan 8.290 nan 0.000 0.522 552 G N -1.261 107.668 108.800 0.215 0.000 2.409 552 G HA2 0.195 4.154 3.960 -0.002 0.000 0.421 552 G HA3 0.195 4.154 3.960 -0.002 0.000 0.421 552 G C 0.377 175.361 174.900 0.140 0.000 1.259 552 G CA 0.515 45.695 45.100 0.133 0.000 1.011 552 G HN 0.530 nan 8.290 nan 0.000 0.497 553 E N -0.515 119.743 120.200 0.097 0.000 2.204 553 E HA -0.037 4.312 4.350 -0.002 0.000 0.194 553 E C 2.792 179.484 176.600 0.152 0.000 0.989 553 E CA 1.408 57.891 56.400 0.139 0.000 0.824 553 E CB -0.157 29.594 29.700 0.084 0.000 0.756 553 E HN 0.401 nan 8.360 nan 0.000 0.477 554 V N 0.751 120.724 119.914 0.099 0.000 2.283 554 V HA -0.137 3.982 4.120 -0.002 0.000 0.243 554 V C 2.429 178.588 176.094 0.107 0.000 1.039 554 V CA 1.996 64.338 62.300 0.070 0.000 1.016 554 V CB -0.994 30.837 31.823 0.012 0.000 0.650 554 V HN 0.311 nan 8.190 nan 0.000 0.449 555 G N -1.221 107.677 108.800 0.163 0.000 2.422 555 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.218 555 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.218 555 G C 1.521 176.554 174.900 0.222 0.000 1.140 555 G CA 0.594 45.818 45.100 0.207 0.000 0.775 555 G HN 0.431 nan 8.290 nan 0.000 0.545 556 F N 1.302 121.289 119.950 0.061 0.000 2.186 556 F HA 0.128 4.654 4.527 -0.002 0.000 0.299 556 F C 2.466 178.227 175.800 -0.066 0.000 1.090 556 F CA 1.392 59.359 58.000 -0.055 0.000 1.307 556 F CB -0.074 38.910 39.000 -0.027 0.000 1.019 556 F HN 0.112 nan 8.300 nan 0.000 0.489 557 K N 0.491 120.899 120.400 0.014 0.000 2.097 557 K HA -0.155 4.164 4.320 -0.002 0.000 0.205 557 K C 2.165 178.731 176.600 -0.057 0.000 1.050 557 K CA 1.729 57.983 56.287 -0.055 0.000 0.938 557 K CB -0.317 32.192 32.500 0.015 0.000 0.718 557 K HN 0.319 nan 8.250 nan 0.000 0.442 558 I N 1.089 121.651 120.570 -0.012 0.000 2.194 558 I HA -0.344 3.825 4.170 -0.002 0.000 0.246 558 I C 2.208 178.325 176.117 -0.000 0.000 1.093 558 I CA 1.388 62.693 61.300 0.008 0.000 1.355 558 I CB -0.267 37.760 38.000 0.045 0.000 1.046 558 I HN 0.197 nan 8.210 nan 0.000 0.413 559 I N 0.602 121.139 120.570 -0.054 0.000 2.163 559 I HA -0.268 3.901 4.170 -0.002 0.000 0.240 559 I C 1.987 178.117 176.117 0.022 0.000 1.081 559 I CA 1.345 62.634 61.300 -0.019 0.000 1.353 559 I CB -0.474 37.454 38.000 -0.120 0.000 1.054 559 I HN 0.269 nan 8.210 nan 0.000 0.407 560 N N 0.196 118.829 118.700 -0.111 0.000 2.512 560 N HA -0.085 4.654 4.740 -0.002 0.000 0.183 560 N C 1.491 176.998 175.510 -0.004 0.000 1.073 560 N CA 1.563 54.577 53.050 -0.060 0.000 0.911 560 N CB -0.225 38.128 38.487 -0.223 0.000 0.964 560 N HN 0.480 nan 8.380 nan 0.000 0.447 561 T N -3.367 111.183 114.554 -0.008 0.000 3.044 561 T HA 0.474 4.823 4.350 -0.002 0.000 0.260 561 T C 0.617 175.327 174.700 0.017 0.000 1.019 561 T CA -0.526 61.577 62.100 0.005 0.000 0.921 561 T CB 0.235 69.100 68.868 -0.006 0.000 1.053 561 T HN 0.087 nan 8.240 nan 0.000 0.533 562 A N 1.988 124.831 122.820 0.039 0.000 2.462 562 A HA 0.637 4.956 4.320 -0.002 0.000 0.243 562 A C 0.635 178.241 177.584 0.037 0.000 1.076 562 A CA -0.165 51.901 52.037 0.048 0.000 0.773 562 A CB 0.056 19.113 19.000 0.095 0.000 1.010 562 A HN 0.924 nan 8.150 nan 0.000 0.493 563 S N 1.208 116.910 115.700 0.003 0.000 2.638 563 S HA 0.482 4.951 4.470 -0.002 0.000 0.274 563 S C 0.429 174.983 174.600 -0.078 0.000 1.157 563 S CA -0.108 58.074 58.200 -0.030 0.000 0.826 563 S CB 0.607 63.773 63.200 -0.056 0.000 1.139 563 S HN 1.013 nan 8.310 nan 0.000 0.474 564 I N 1.025 121.504 120.570 -0.151 0.000 2.394 564 I HA -0.025 4.144 4.170 -0.002 0.000 0.251 564 I C 2.443 178.399 176.117 -0.269 0.000 1.136 564 I CA 1.812 62.964 61.300 -0.248 0.000 1.425 564 I CB -0.496 37.160 38.000 -0.573 0.000 1.079 564 I HN 0.889 nan 8.210 nan 0.000 0.425 565 Q N 0.552 120.188 119.800 -0.273 0.000 2.079 565 Q HA -0.179 4.160 4.340 -0.002 0.000 0.200 565 Q C 2.396 178.290 176.000 -0.178 0.000 0.974 565 Q CA 2.494 58.141 55.803 -0.260 0.000 0.840 565 Q CB -0.521 28.067 28.738 -0.251 0.000 0.898 565 Q HN 0.672 nan 8.270 nan 0.000 0.430 566 S N -0.375 115.244 115.700 -0.135 0.000 2.383 566 S HA -0.138 4.331 4.470 -0.002 0.000 0.227 566 S C 1.891 176.416 174.600 -0.125 0.000 1.026 566 S CA 1.028 59.167 58.200 -0.103 0.000 0.981 566 S CB -0.649 62.511 63.200 -0.067 0.000 0.818 566 S HN 0.405 nan 8.310 nan 0.000 0.472 567 L N 0.787 121.916 121.223 -0.157 0.000 2.046 567 L HA 0.086 4.425 4.340 -0.002 0.000 0.208 567 L C 2.108 178.839 176.870 -0.232 0.000 1.077 567 L CA 1.543 56.245 54.840 -0.230 0.000 0.747 567 L CB -0.569 41.297 42.059 -0.322 0.000 0.896 567 L HN 0.255 nan 8.230 nan 0.000 0.432 568 I N -1.553 118.895 120.570 -0.203 0.000 2.333 568 I HA -0.226 3.944 4.170 -0.002 0.000 0.246 568 I C 2.657 178.685 176.117 -0.149 0.000 1.106 568 I CA 1.162 62.350 61.300 -0.186 0.000 1.411 568 I CB -0.740 37.151 38.000 -0.181 0.000 1.082 568 I HN 0.439 nan 8.210 nan 0.000 0.420 569 c N 1.105 119.626 118.600 -0.132 0.000 2.429 569 c HA -0.149 4.420 4.570 -0.002 0.000 0.277 569 c C 2.644 176.679 174.090 -0.091 0.000 1.262 569 c CA 1.191 57.462 56.329 -0.098 0.000 1.733 569 c CB -1.262 41.199 42.510 -0.083 0.000 2.010 569 c HN 0.516 nan 8.230 nan 0.000 0.483 570 N N 0.963 119.603 118.700 -0.101 0.000 2.409 570 N HA 0.007 4.746 4.740 -0.002 0.000 0.179 570 N C 1.001 176.448 175.510 -0.106 0.000 1.032 570 N CA 0.883 53.878 53.050 -0.091 0.000 0.898 570 N CB -0.380 38.057 38.487 -0.082 0.000 0.971 570 N HN 0.670 nan 8.380 nan 0.000 0.441 571 N N -0.397 118.223 118.700 -0.133 0.000 2.166 571 N HA 0.101 4.840 4.740 -0.002 0.000 0.213 571 N C -0.588 174.824 175.510 -0.163 0.000 1.222 571 N CA 0.134 53.092 53.050 -0.153 0.000 0.900 571 N CB 1.995 40.373 38.487 -0.182 0.000 1.055 571 N HN -0.105 nan 8.380 nan 0.000 0.515 572 V N 1.784 121.611 119.914 -0.144 0.000 2.448 572 V HA 0.228 4.347 4.120 -0.002 0.000 0.295 572 V C 0.394 176.430 176.094 -0.097 0.000 1.025 572 V CA -1.161 61.060 62.300 -0.133 0.000 0.859 572 V CB 2.550 34.295 31.823 -0.130 0.000 0.988 572 V HN -0.028 nan 8.190 nan 0.000 0.431 573 K N 2.826 123.173 120.400 -0.088 0.000 2.484 573 K HA 0.320 4.639 4.320 -0.002 0.000 0.280 573 K C 1.181 177.755 176.600 -0.042 0.000 1.013 573 K CA 1.276 57.526 56.287 -0.061 0.000 1.029 573 K CB 0.137 32.605 32.500 -0.053 0.000 0.902 573 K HN 1.188 nan 8.250 nan 0.000 0.481 574 G N 2.926 111.706 108.800 -0.034 0.000 2.175 574 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.244 574 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.244 574 G C 0.345 175.234 174.900 -0.018 0.000 0.982 574 G CA -0.199 44.889 45.100 -0.020 0.000 0.641 574 G HN 1.099 nan 8.290 nan 0.000 0.527 575 c N 1.084 119.665 118.600 -0.033 0.000 3.200 575 c HA -0.072 4.497 4.570 -0.002 0.000 0.263 575 c C -0.306 173.776 174.090 -0.013 0.000 1.345 575 c CA -0.044 56.264 56.329 -0.035 0.000 2.274 575 c CB -1.663 40.829 42.510 -0.030 0.000 1.459 575 c HN 0.755 nan 8.230 nan 0.000 0.501 576 P HA 0.245 nan 4.420 nan 0.000 0.274 576 P C -0.133 177.190 177.300 0.039 0.000 1.231 576 P CA -0.212 62.903 63.100 0.026 0.000 0.790 576 P CB 0.410 32.117 31.700 0.012 0.000 0.951 577 F N 1.835 121.761 119.950 -0.040 0.000 2.578 577 F HA 0.273 4.799 4.527 -0.001 0.000 0.376 577 F C 0.451 176.221 175.800 -0.049 0.000 1.085 577 F CA 1.142 59.115 58.000 -0.046 0.000 1.260 577 F CB 0.503 39.481 39.000 -0.037 0.000 1.095 577 F HN 0.254 nan 8.300 nan 0.000 0.573 578 T N 4.404 118.448 114.554 -0.849 0.000 2.896 578 T HA 0.614 4.963 4.350 -0.002 0.000 0.297 578 T C -1.362 172.795 174.700 -0.905 0.000 1.108 578 T CA -0.435 61.287 62.100 -0.629 0.000 1.004 578 T CB 1.446 70.115 68.868 -0.332 0.000 1.159 578 T HN 0.806 nan 8.240 nan 0.000 0.499 579 S N 1.190 116.585 115.700 -0.507 0.000 2.588 579 S HA 0.539 5.008 4.470 -0.002 0.000 0.269 579 S C -0.570 173.867 174.600 -0.271 0.000 1.157 579 S CA -0.612 57.334 58.200 -0.423 0.000 0.824 579 S CB 0.774 63.871 63.200 -0.171 0.000 1.126 579 S HN 0.667 nan 8.310 nan 0.000 0.464 580 F N 1.753 121.613 119.950 -0.150 0.000 2.789 580 F HA 0.216 4.742 4.527 -0.002 0.000 0.300 580 F C 1.028 176.546 175.800 -0.469 0.000 1.132 580 F CA -0.271 57.604 58.000 -0.208 0.000 1.404 580 F CB 0.198 39.068 39.000 -0.218 0.000 1.114 580 F HN 0.630 nan 8.300 nan 0.000 0.584 581 N N -1.481 117.116 118.700 -0.172 0.000 2.328 581 N HA 0.431 5.170 4.740 -0.002 0.000 0.299 581 N C -1.170 174.361 175.510 0.034 0.000 1.179 581 N CA -0.756 52.228 53.050 -0.110 0.000 0.793 581 N CB 1.369 39.829 38.487 -0.045 0.000 1.366 581 N HN -0.258 nan 8.380 nan 0.000 0.493 582 V N 1.188 121.130 119.914 0.048 0.000 2.686 582 V HA 0.132 4.251 4.120 -0.002 0.000 0.295 582 V C 0.497 176.628 176.094 0.062 0.000 1.055 582 V CA -0.387 61.954 62.300 0.069 0.000 1.050 582 V CB 0.868 32.723 31.823 0.054 0.000 0.984 582 V HN 0.664 nan 8.190 nan 0.000 0.482 583 Q N 0.000 119.837 119.800 0.062 0.000 2.315 583 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 583 Q CA 0.000 55.812 55.803 0.016 0.000 1.022 583 Q CB 0.000 28.710 28.738 -0.046 0.000 1.108 583 Q HN 0.000 nan 8.270 nan 0.000 0.481