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 1ots_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.293 176.300 -0.011 0.000 0.893 18 R CA 0.000 56.094 56.100 -0.010 0.000 0.921 18 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 19 R N 2.255 122.749 120.500 -0.010 0.000 2.185 19 R HA -0.147 4.193 4.340 -0.001 0.000 0.247 19 R C 2.004 178.297 176.300 -0.012 0.000 1.159 19 R CA 2.544 58.638 56.100 -0.009 0.000 0.988 19 R CB -0.497 29.798 30.300 -0.008 0.000 0.871 19 R HN 0.539 nan 8.270 nan 0.000 0.458 20 Q N -0.420 119.372 119.800 -0.015 0.000 1.993 20 Q HA -0.194 4.146 4.340 -0.001 0.000 0.202 20 Q C 1.907 177.894 176.000 -0.022 0.000 0.984 20 Q CA 1.884 57.675 55.803 -0.019 0.000 0.837 20 Q CB -0.384 28.339 28.738 -0.024 0.000 0.902 20 Q HN 0.363 nan 8.270 nan 0.000 0.423 21 L N 1.259 122.468 121.223 -0.023 0.000 1.997 21 L HA -0.252 4.087 4.340 -0.001 0.000 0.216 21 L C 2.270 179.130 176.870 -0.017 0.000 1.074 21 L CA 1.910 56.736 54.840 -0.023 0.000 0.763 21 L CB -0.709 41.338 42.059 -0.020 0.000 0.890 21 L HN 0.433 nan 8.230 nan 0.000 0.434 22 I N -0.876 119.686 120.570 -0.013 0.000 2.194 22 I HA -0.368 3.802 4.170 -0.001 0.000 0.246 22 I C 2.646 178.757 176.117 -0.010 0.000 1.093 22 I CA 1.667 62.962 61.300 -0.010 0.000 1.355 22 I CB -0.520 37.475 38.000 -0.008 0.000 1.046 22 I HN 0.351 nan 8.210 nan 0.000 0.413 23 R N 1.405 121.899 120.500 -0.011 0.000 2.081 23 R HA -0.179 4.161 4.340 -0.001 0.000 0.235 23 R C 2.102 178.396 176.300 -0.011 0.000 1.131 23 R CA 1.735 57.829 56.100 -0.010 0.000 0.960 23 R CB -0.530 29.763 30.300 -0.011 0.000 0.856 23 R HN 0.432 nan 8.270 nan 0.000 0.436 24 Q N -0.124 119.667 119.800 -0.015 0.000 2.049 24 Q HA -0.035 4.305 4.340 -0.001 0.000 0.198 24 Q C 2.230 178.225 176.000 -0.008 0.000 0.971 24 Q CA 1.623 57.417 55.803 -0.015 0.000 0.833 24 Q CB -0.151 28.569 28.738 -0.029 0.000 0.896 24 Q HN 0.312 nan 8.270 nan 0.000 0.434 25 L N 0.564 121.782 121.223 -0.009 0.000 1.971 25 L HA -0.263 4.077 4.340 -0.001 0.000 0.215 25 L C 2.304 179.172 176.870 -0.003 0.000 1.072 25 L CA 1.301 56.138 54.840 -0.004 0.000 0.758 25 L CB -0.681 41.374 42.059 -0.005 0.000 0.889 25 L HN 0.278 nan 8.230 nan 0.000 0.433 26 L N -0.666 120.554 121.223 -0.005 0.000 2.447 26 L HA -0.169 4.171 4.340 -0.001 0.000 0.225 26 L C 1.899 178.767 176.870 -0.003 0.000 1.148 26 L CA 0.742 55.580 54.840 -0.004 0.000 0.808 26 L CB -0.335 41.721 42.059 -0.005 0.000 0.928 26 L HN 0.299 nan 8.230 nan 0.000 0.448 27 E N -0.593 119.606 120.200 -0.001 0.000 2.562 27 E HA 0.108 4.458 4.350 -0.001 0.000 0.214 27 E C 0.457 177.060 176.600 0.007 0.000 0.979 27 E CA -0.129 56.272 56.400 0.001 0.000 1.002 27 E CB 0.359 30.060 29.700 0.001 0.000 1.048 27 E HN 0.324 nan 8.360 nan 0.000 0.488 28 R N 1.829 122.333 120.500 0.007 0.000 2.734 28 R HA -0.056 4.283 4.340 -0.001 0.000 0.266 28 R C -0.192 176.115 176.300 0.011 0.000 1.044 28 R CA 0.377 56.486 56.100 0.014 0.000 1.128 28 R CB 0.243 30.550 30.300 0.013 0.000 1.010 28 R HN -0.159 nan 8.270 nan 0.000 0.461 29 D N 1.773 122.183 120.400 0.017 0.000 2.697 29 D HA -0.158 4.482 4.640 -0.001 0.000 0.238 29 D C -1.373 174.928 176.300 0.002 0.000 1.152 29 D CA 1.234 55.237 54.000 0.006 0.000 0.666 29 D CB -0.528 40.266 40.800 -0.010 0.000 1.037 29 D HN 0.539 nan 8.370 nan 0.000 0.423 30 K N 1.014 121.420 120.400 0.011 0.000 2.592 30 K HA 0.305 4.625 4.320 -0.001 0.000 0.212 30 K C -0.597 176.011 176.600 0.014 0.000 1.013 30 K CA -0.612 55.679 56.287 0.008 0.000 1.034 30 K CB 1.289 33.793 32.500 0.007 0.000 1.292 30 K HN 0.011 nan 8.250 nan 0.000 0.521 31 T N 3.005 117.566 114.554 0.012 0.000 2.771 31 T HA 0.227 4.576 4.350 -0.001 0.000 0.291 31 T C -2.359 172.351 174.700 0.016 0.000 0.954 31 T CA -1.664 60.447 62.100 0.018 0.000 1.045 31 T CB 0.849 69.727 68.868 0.018 0.000 0.917 31 T HN 0.150 nan 8.240 nan 0.000 0.484 32 P HA 0.004 nan 4.420 nan 0.000 0.257 32 P C 1.050 178.363 177.300 0.021 0.000 1.162 32 P CA 0.025 63.135 63.100 0.016 0.000 0.762 32 P CB 0.328 32.039 31.700 0.018 0.000 0.753 33 L N 3.754 124.986 121.223 0.016 0.000 2.197 33 L HA -0.303 4.036 4.340 -0.001 0.000 0.215 33 L C 1.901 178.800 176.870 0.049 0.000 1.095 33 L CA 1.902 56.757 54.840 0.025 0.000 0.764 33 L CB -0.319 41.741 42.059 0.001 0.000 0.897 33 L HN 0.419 nan 8.230 nan 0.000 0.436 34 A N 0.085 122.925 122.820 0.033 0.000 1.898 34 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 34 A C 2.097 179.719 177.584 0.063 0.000 1.181 34 A CA 1.695 53.760 52.037 0.047 0.000 0.620 34 A CB -0.622 18.391 19.000 0.022 0.000 0.819 34 A HN 0.483 nan 8.150 nan 0.000 0.442 35 I N -0.085 120.510 120.570 0.041 0.000 2.179 35 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 35 I C 2.388 178.520 176.117 0.026 0.000 1.088 35 I CA 1.152 62.469 61.300 0.028 0.000 1.357 35 I CB -0.374 37.642 38.000 0.025 0.000 1.051 35 I HN 0.309 nan 8.210 nan 0.000 0.409 36 L N -0.331 120.918 121.223 0.043 0.000 2.012 36 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 36 L C 2.633 179.530 176.870 0.045 0.000 1.073 36 L CA 1.521 56.386 54.840 0.042 0.000 0.748 36 L CB -0.790 41.301 42.059 0.053 0.000 0.891 36 L HN 0.208 nan 8.230 nan 0.000 0.431 37 F N 0.194 120.110 119.950 -0.056 0.000 2.216 37 F HA -0.205 4.322 4.527 -0.001 0.000 0.300 37 F C 2.472 178.209 175.800 -0.104 0.000 1.085 37 F CA 1.325 59.279 58.000 -0.077 0.000 1.326 37 F CB -0.049 38.893 39.000 -0.097 0.000 1.027 37 F HN -0.018 nan 8.300 nan 0.000 0.497 38 M N -0.144 119.360 119.600 -0.159 0.000 2.419 38 M HA 0.030 4.509 4.480 -0.001 0.000 0.264 38 M C 2.424 178.596 176.300 -0.213 0.000 1.082 38 M CA 1.169 56.317 55.300 -0.252 0.000 1.119 38 M CB -1.691 30.841 32.600 -0.113 0.000 1.398 38 M HN 0.297 nan 8.290 nan 0.000 0.453 39 A N 0.251 122.986 122.820 -0.142 0.000 1.930 39 A HA 0.059 4.378 4.320 -0.001 0.000 0.217 39 A C 2.418 179.916 177.584 -0.143 0.000 1.175 39 A CA 1.752 53.729 52.037 -0.100 0.000 0.627 39 A CB -0.675 18.300 19.000 -0.042 0.000 0.815 39 A HN 0.437 nan 8.150 nan 0.000 0.443 40 A N -0.601 122.088 122.820 -0.219 0.000 1.877 40 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 40 A C 2.340 179.756 177.584 -0.280 0.000 1.186 40 A CA 1.783 53.675 52.037 -0.241 0.000 0.620 40 A CB -1.142 17.673 19.000 -0.309 0.000 0.822 40 A HN 0.864 nan 8.150 nan 0.000 0.443 41 V N -0.313 119.351 119.914 -0.418 0.000 2.343 41 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 41 V C 2.362 178.348 176.094 -0.180 0.000 1.051 41 V CA 2.374 64.483 62.300 -0.318 0.000 1.036 41 V CB -0.443 31.154 31.823 -0.378 0.000 0.654 41 V HN 0.309 nan 8.190 nan 0.000 0.451 42 V N 1.113 120.929 119.914 -0.162 0.000 2.220 42 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 42 V C 2.791 178.825 176.094 -0.100 0.000 1.049 42 V CA 2.425 64.658 62.300 -0.112 0.000 1.003 42 V CB -1.674 30.093 31.823 -0.094 0.000 0.634 42 V HN 0.638 nan 8.190 nan 0.000 0.444 43 G N -0.491 108.252 108.800 -0.095 0.000 2.529 43 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.219 43 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.219 43 G C 1.671 176.532 174.900 -0.066 0.000 1.177 43 G CA 1.880 46.936 45.100 -0.073 0.000 0.773 43 G HN 0.487 nan 8.290 nan 0.000 0.573 44 T N 1.371 115.879 114.554 -0.077 0.000 2.720 44 T HA -0.080 4.270 4.350 -0.001 0.000 0.268 44 T C 2.424 177.089 174.700 -0.059 0.000 1.037 44 T CA 1.226 63.291 62.100 -0.058 0.000 1.144 44 T CB -0.230 68.597 68.868 -0.070 0.000 0.864 44 T HN 0.189 nan 8.240 nan 0.000 0.444 45 L N 0.577 121.754 121.223 -0.077 0.000 2.027 45 L HA -0.076 4.264 4.340 -0.001 0.000 0.206 45 L C 2.730 179.549 176.870 -0.084 0.000 1.074 45 L CA 0.922 55.712 54.840 -0.084 0.000 0.745 45 L CB -0.849 41.153 42.059 -0.095 0.000 0.898 45 L HN 0.140 nan 8.230 nan 0.000 0.433 46 V N 0.487 120.353 119.914 -0.080 0.000 2.287 46 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 46 V C 2.657 178.718 176.094 -0.055 0.000 1.053 46 V CA 2.147 64.403 62.300 -0.074 0.000 1.027 46 V CB -1.408 30.371 31.823 -0.074 0.000 0.646 46 V HN 0.585 nan 8.190 nan 0.000 0.447 47 G N -0.330 108.445 108.800 -0.042 0.000 2.421 47 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 47 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 47 G C 1.582 176.454 174.900 -0.047 0.000 1.171 47 G CA 0.955 46.047 45.100 -0.014 0.000 0.775 47 G HN 0.462 nan 8.290 nan 0.000 0.543 48 L N 0.617 121.792 121.223 -0.080 0.000 2.131 48 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 48 L C 3.384 180.175 176.870 -0.131 0.000 1.092 48 L CA 0.958 55.706 54.840 -0.153 0.000 0.759 48 L CB -0.389 41.598 42.059 -0.120 0.000 0.903 48 L HN 0.337 nan 8.230 nan 0.000 0.435 49 A N 0.047 122.822 122.820 -0.074 0.000 1.873 49 A HA -0.107 4.213 4.320 -0.001 0.000 0.215 49 A C 2.561 180.209 177.584 0.107 0.000 1.186 49 A CA 1.510 53.540 52.037 -0.012 0.000 0.616 49 A CB -0.652 18.317 19.000 -0.052 0.000 0.823 49 A HN 0.371 nan 8.150 nan 0.000 0.442 50 A N -0.439 122.411 122.820 0.051 0.000 1.908 50 A HA -0.026 4.294 4.320 -0.001 0.000 0.218 50 A C 2.241 179.899 177.584 0.122 0.000 1.181 50 A CA 1.882 53.980 52.037 0.101 0.000 0.627 50 A CB -0.987 18.042 19.000 0.049 0.000 0.818 50 A HN 0.375 nan 8.150 nan 0.000 0.445 51 V N -0.128 119.791 119.914 0.008 0.000 2.233 51 V HA -0.281 3.839 4.120 -0.001 0.000 0.247 51 V C 3.095 179.153 176.094 -0.060 0.000 1.050 51 V CA 2.097 64.337 62.300 -0.100 0.000 1.010 51 V CB -1.388 30.170 31.823 -0.442 0.000 0.637 51 V HN 0.633 nan 8.190 nan 0.000 0.444 52 A N -0.494 122.308 122.820 -0.030 0.000 1.917 52 A HA -0.297 4.022 4.320 -0.001 0.000 0.219 52 A C 2.125 179.802 177.584 0.155 0.000 1.182 52 A CA 2.408 54.497 52.037 0.086 0.000 0.633 52 A CB -0.790 18.306 19.000 0.160 0.000 0.819 52 A HN 0.537 nan 8.150 nan 0.000 0.448 53 F N 1.104 121.073 119.950 0.031 0.000 2.051 53 F HA -0.169 4.357 4.527 -0.001 0.000 0.296 53 F C 1.928 177.616 175.800 -0.186 0.000 1.122 53 F CA 2.138 59.960 58.000 -0.297 0.000 1.201 53 F CB -0.746 38.109 39.000 -0.241 0.000 0.978 53 F HN 0.390 nan 8.300 nan 0.000 0.472 54 D N 0.019 120.343 120.400 -0.126 0.000 2.133 54 D HA -0.217 4.423 4.640 -0.001 0.000 0.195 54 D C 2.059 178.273 176.300 -0.143 0.000 0.997 54 D CA 1.659 55.571 54.000 -0.148 0.000 0.840 54 D CB -0.068 40.761 40.800 0.049 0.000 0.947 54 D HN 0.103 nan 8.370 nan 0.000 0.452 55 K N -0.112 120.238 120.400 -0.084 0.000 2.057 55 K HA -0.009 4.310 4.320 -0.001 0.000 0.206 55 K C 2.261 178.845 176.600 -0.027 0.000 1.050 55 K CA 1.166 57.435 56.287 -0.030 0.000 0.935 55 K CB -0.877 31.611 32.500 -0.019 0.000 0.715 55 K HN 0.306 nan 8.250 nan 0.000 0.439 56 G N 1.247 109.974 108.800 -0.121 0.000 2.421 56 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.216 56 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.216 56 G C 1.734 176.583 174.900 -0.085 0.000 1.171 56 G CA 0.938 45.977 45.100 -0.102 0.000 0.775 56 G HN 0.107 nan 8.290 nan 0.000 0.543 57 V N 1.728 121.452 119.914 -0.316 0.000 2.255 57 V HA -0.187 3.932 4.120 -0.001 0.000 0.247 57 V C 3.361 179.399 176.094 -0.094 0.000 1.051 57 V CA 2.180 64.313 62.300 -0.278 0.000 1.018 57 V CB -1.053 30.500 31.823 -0.450 0.000 0.641 57 V HN 0.484 nan 8.190 nan 0.000 0.445 58 A N -1.196 121.591 122.820 -0.054 0.000 1.940 58 A HA -0.292 4.028 4.320 -0.001 0.000 0.219 58 A C 1.962 179.586 177.584 0.066 0.000 1.176 58 A CA 2.044 54.089 52.037 0.013 0.000 0.631 58 A CB -0.913 18.110 19.000 0.037 0.000 0.814 58 A HN 0.761 nan 8.150 nan 0.000 0.446 59 W N 0.424 121.681 121.300 -0.073 0.000 2.388 59 W HA -0.067 4.593 4.660 -0.001 0.000 0.294 59 W C 1.722 178.210 176.519 -0.052 0.000 1.212 59 W CA 1.654 58.969 57.345 -0.049 0.000 1.271 59 W CB -0.173 29.262 29.460 -0.042 0.000 1.126 59 W HN 0.246 nan 8.180 nan 0.000 0.535 60 L N 0.132 121.403 121.223 0.081 0.000 2.027 60 L HA -0.220 4.120 4.340 -0.001 0.000 0.206 60 L C 2.585 179.345 176.870 -0.182 0.000 1.074 60 L CA 1.495 56.277 54.840 -0.096 0.000 0.745 60 L CB -1.078 41.005 42.059 0.039 0.000 0.898 60 L HN 0.008 nan 8.230 nan 0.000 0.433 61 Q N -0.331 119.405 119.800 -0.107 0.000 2.226 61 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 61 Q C 1.912 177.834 176.000 -0.130 0.000 0.975 61 Q CA 1.549 57.298 55.803 -0.091 0.000 0.866 61 Q CB -0.276 28.434 28.738 -0.046 0.000 0.915 61 Q HN 0.551 nan 8.270 nan 0.000 0.440 62 N N -0.078 118.510 118.700 -0.187 0.000 2.051 62 N HA -0.200 4.540 4.740 -0.001 0.000 0.192 62 N C 1.735 177.059 175.510 -0.309 0.000 1.049 62 N CA 0.791 53.708 53.050 -0.222 0.000 0.845 62 N CB 0.191 38.523 38.487 -0.258 0.000 1.031 62 N HN 0.141 nan 8.380 nan 0.000 0.425 63 Q N 0.969 120.460 119.800 -0.514 0.000 2.133 63 Q HA -0.189 4.151 4.340 -0.001 0.000 0.208 63 Q C 2.116 177.928 176.000 -0.314 0.000 0.991 63 Q CA 1.435 56.930 55.803 -0.512 0.000 0.867 63 Q CB -0.563 27.728 28.738 -0.746 0.000 0.911 63 Q HN 0.483 nan 8.270 nan 0.000 0.417 64 R N -0.463 119.889 120.500 -0.247 0.000 2.091 64 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 64 R C 2.314 178.524 176.300 -0.149 0.000 1.136 64 R CA 1.490 57.490 56.100 -0.165 0.000 0.959 64 R CB -0.305 29.927 30.300 -0.114 0.000 0.856 64 R HN 0.182 nan 8.270 nan 0.000 0.437 65 M N -0.144 119.375 119.600 -0.135 0.000 2.086 65 M HA -0.063 4.417 4.480 -0.001 0.000 0.261 65 M C 2.259 178.476 176.300 -0.138 0.000 1.067 65 M CA 1.834 57.078 55.300 -0.093 0.000 1.116 65 M CB -0.753 31.809 32.600 -0.064 0.000 1.348 65 M HN 0.283 nan 8.290 nan 0.000 0.407 66 G N -1.124 107.554 108.800 -0.204 0.000 2.432 66 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.219 66 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.219 66 G C 1.565 176.219 174.900 -0.411 0.000 1.135 66 G CA 0.974 45.896 45.100 -0.296 0.000 0.767 66 G HN 0.606 nan 8.290 nan 0.000 0.550 67 A N 0.390 123.031 122.820 -0.297 0.000 1.972 67 A HA 0.154 4.473 4.320 -0.001 0.000 0.219 67 A C 2.373 179.851 177.584 -0.176 0.000 1.169 67 A CA 1.010 52.904 52.037 -0.239 0.000 0.635 67 A CB -0.258 18.643 19.000 -0.165 0.000 0.810 67 A HN 0.372 nan 8.150 nan 0.000 0.446 68 L N -0.744 120.377 121.223 -0.170 0.000 2.179 68 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 68 L C 2.402 179.232 176.870 -0.066 0.000 1.096 68 L CA 0.663 55.410 54.840 -0.156 0.000 0.779 68 L CB -0.475 41.457 42.059 -0.211 0.000 0.922 68 L HN 0.226 nan 8.230 nan 0.000 0.443 69 V N -0.574 119.311 119.914 -0.049 0.000 2.427 69 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 69 V C 2.173 178.360 176.094 0.154 0.000 1.051 69 V CA 1.720 64.049 62.300 0.049 0.000 1.048 69 V CB -0.823 31.029 31.823 0.049 0.000 0.666 69 V HN 0.519 nan 8.190 nan 0.000 0.456 70 H N 0.007 119.067 119.070 -0.018 0.000 2.529 70 H HA -0.021 4.535 4.556 -0.001 0.000 0.277 70 H C 1.643 176.962 175.328 -0.016 0.000 0.999 70 H CA 1.229 57.268 56.048 -0.015 0.000 1.256 70 H CB 0.252 30.002 29.762 -0.020 0.000 1.402 70 H HN 0.595 nan 8.280 nan 0.000 0.566 71 T N -2.719 111.887 114.554 0.088 0.000 3.415 71 T HA 0.530 4.879 4.350 -0.001 0.000 0.282 71 T C 1.389 176.097 174.700 0.012 0.000 1.007 71 T CA 0.060 62.179 62.100 0.032 0.000 0.958 71 T CB 0.532 69.397 68.868 -0.007 0.000 1.171 71 T HN 0.246 nan 8.240 nan 0.000 0.500 72 A N 2.558 125.405 122.820 0.045 0.000 1.845 72 A HA 0.011 4.331 4.320 -0.001 0.000 0.215 72 A C 1.341 178.980 177.584 0.093 0.000 1.195 72 A CA 1.206 53.285 52.037 0.070 0.000 0.616 72 A CB -0.792 18.265 19.000 0.095 0.000 0.832 72 A HN 0.845 nan 8.150 nan 0.000 0.443 73 D N -0.369 120.078 120.400 0.078 0.000 2.419 73 D HA -0.015 4.625 4.640 -0.001 0.000 0.236 73 D C 0.056 176.405 176.300 0.080 0.000 1.165 73 D CA 0.529 54.576 54.000 0.078 0.000 0.882 73 D CB -0.140 40.693 40.800 0.054 0.000 1.201 73 D HN 0.570 nan 8.370 nan 0.000 0.443 74 N N 0.767 119.526 118.700 0.097 0.000 2.531 74 N HA -0.263 4.476 4.740 -0.001 0.000 0.279 74 N C -0.149 175.449 175.510 0.146 0.000 1.267 74 N CA -0.063 53.047 53.050 0.101 0.000 0.663 74 N CB -0.835 37.685 38.487 0.055 0.000 0.886 74 N HN 0.518 nan 8.380 nan 0.000 0.544 75 Y N 3.836 124.164 120.300 0.046 0.000 2.014 75 Y HA -0.140 4.409 4.550 -0.001 0.000 0.272 75 Y C -0.914 175.009 175.900 0.039 0.000 1.164 75 Y CA 2.472 60.616 58.100 0.073 0.000 1.114 75 Y CB -1.169 37.349 38.460 0.097 0.000 0.961 75 Y HN 0.505 nan 8.280 nan 0.000 0.489 76 P HA -0.199 nan 4.420 nan 0.000 0.220 76 P C 1.705 178.961 177.300 -0.074 0.000 1.144 76 P CA 1.636 64.707 63.100 -0.048 0.000 0.800 76 P CB -0.180 31.533 31.700 0.021 0.000 0.772 77 L N -0.252 120.948 121.223 -0.039 0.000 2.023 77 L HA -0.092 4.248 4.340 -0.001 0.000 0.205 77 L C 1.817 178.631 176.870 -0.093 0.000 1.073 77 L CA 1.762 56.573 54.840 -0.049 0.000 0.745 77 L CB -1.504 40.544 42.059 -0.018 0.000 0.900 77 L HN -0.114 nan 8.230 nan 0.000 0.435 78 L N -1.965 119.179 121.223 -0.132 0.000 2.156 78 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 78 L C 2.165 178.845 176.870 -0.317 0.000 1.095 78 L CA 1.524 56.222 54.840 -0.237 0.000 0.770 78 L CB -1.680 40.192 42.059 -0.312 0.000 0.914 78 L HN 0.181 nan 8.230 nan 0.000 0.439 79 L N -0.302 120.730 121.223 -0.318 0.000 2.265 79 L HA -0.120 4.220 4.340 -0.001 0.000 0.215 79 L C 2.292 179.090 176.870 -0.121 0.000 1.117 79 L CA 1.325 55.998 54.840 -0.277 0.000 0.782 79 L CB -0.947 40.891 42.059 -0.369 0.000 0.914 79 L HN 0.399 nan 8.230 nan 0.000 0.441 80 T N -0.368 114.119 114.554 -0.113 0.000 2.814 80 T HA -0.103 4.247 4.350 -0.001 0.000 0.254 80 T C 1.940 176.641 174.700 0.001 0.000 1.037 80 T CA 1.438 63.504 62.100 -0.057 0.000 1.143 80 T CB -0.147 68.677 68.868 -0.074 0.000 0.866 80 T HN 0.302 nan 8.240 nan 0.000 0.431 81 V N 1.034 120.919 119.914 -0.047 0.000 2.594 81 V HA 0.013 4.132 4.120 -0.001 0.000 0.253 81 V C 2.605 178.678 176.094 -0.035 0.000 1.069 81 V CA 1.378 63.655 62.300 -0.038 0.000 1.082 81 V CB -1.596 30.183 31.823 -0.072 0.000 0.680 81 V HN 0.416 nan 8.190 nan 0.000 0.469 82 A N 0.409 123.187 122.820 -0.071 0.000 1.858 82 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 82 A C 2.072 179.672 177.584 0.027 0.000 1.190 82 A CA 1.926 53.926 52.037 -0.063 0.000 0.617 82 A CB -0.893 18.042 19.000 -0.107 0.000 0.827 82 A HN 0.611 nan 8.150 nan 0.000 0.443 83 F N 0.859 120.772 119.950 -0.062 0.000 2.026 83 F HA -0.180 4.347 4.527 -0.001 0.000 0.296 83 F C 2.044 177.833 175.800 -0.019 0.000 1.133 83 F CA 1.893 59.876 58.000 -0.028 0.000 1.188 83 F CB -0.570 38.411 39.000 -0.032 0.000 0.968 83 F HN 0.153 nan 8.300 nan 0.000 0.476 84 L N -0.438 121.019 121.223 0.391 0.000 1.978 84 L HA -0.381 3.958 4.340 -0.001 0.000 0.218 84 L C 2.715 179.634 176.870 0.082 0.000 1.075 84 L CA 1.899 56.885 54.840 0.244 0.000 0.767 84 L CB -1.525 40.617 42.059 0.140 0.000 0.890 84 L HN 0.313 nan 8.230 nan 0.000 0.434 85 C N -0.623 118.696 119.300 0.032 0.000 2.401 85 C HA -0.184 4.275 4.460 -0.001 0.000 0.276 85 C C 3.154 178.132 174.990 -0.021 0.000 1.233 85 C CA 1.403 60.416 59.018 -0.008 0.000 1.753 85 C CB -0.861 26.855 27.740 -0.039 0.000 2.029 85 C HN 0.540 nan 8.230 nan 0.000 0.478 86 S N 0.487 116.154 115.700 -0.056 0.000 2.406 86 S HA -0.009 4.461 4.470 -0.001 0.000 0.228 86 S C 2.123 176.672 174.600 -0.085 0.000 1.020 86 S CA 1.100 59.255 58.200 -0.076 0.000 0.965 86 S CB -0.347 62.778 63.200 -0.125 0.000 0.798 86 S HN 0.718 nan 8.310 nan 0.000 0.488 87 A N 1.294 124.027 122.820 -0.146 0.000 1.873 87 A HA -0.001 4.319 4.320 -0.001 0.000 0.215 87 A C 2.295 179.896 177.584 0.028 0.000 1.186 87 A CA 1.315 53.285 52.037 -0.112 0.000 0.616 87 A CB -0.927 18.021 19.000 -0.087 0.000 0.823 87 A HN 0.322 nan 8.150 nan 0.000 0.442 88 V N 0.271 120.218 119.914 0.055 0.000 2.392 88 V HA -0.246 3.874 4.120 -0.001 0.000 0.249 88 V C 2.488 178.666 176.094 0.139 0.000 1.059 88 V CA 1.899 64.253 62.300 0.092 0.000 1.051 88 V CB -0.732 31.131 31.823 0.067 0.000 0.658 88 V HN 0.537 nan 8.190 nan 0.000 0.455 89 L N -0.345 120.944 121.223 0.110 0.000 2.131 89 L HA 0.009 4.349 4.340 -0.001 0.000 0.206 89 L C 2.714 179.738 176.870 0.258 0.000 1.087 89 L CA 1.153 56.087 54.840 0.156 0.000 0.767 89 L CB -0.754 41.353 42.059 0.080 0.000 0.917 89 L HN 0.329 nan 8.230 nan 0.000 0.441 90 A N 0.229 123.170 122.820 0.203 0.000 1.877 90 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 90 A C 2.319 180.150 177.584 0.411 0.000 1.186 90 A CA 1.621 53.836 52.037 0.297 0.000 0.620 90 A CB -0.445 18.679 19.000 0.206 0.000 0.822 90 A HN 0.289 nan 8.150 nan 0.000 0.443 91 M N -1.978 117.775 119.600 0.255 0.000 2.086 91 M HA -0.101 4.378 4.480 -0.001 0.000 0.261 91 M C 2.158 178.655 176.300 0.329 0.000 1.067 91 M CA 1.929 57.363 55.300 0.224 0.000 1.116 91 M CB -0.517 32.156 32.600 0.120 0.000 1.348 91 M HN 0.538 nan 8.290 nan 0.000 0.407 92 F N 1.033 121.109 119.950 0.210 0.000 2.192 92 F HA -0.144 4.382 4.527 -0.001 0.000 0.301 92 F C 2.009 177.962 175.800 0.255 0.000 1.079 92 F CA 1.742 59.890 58.000 0.247 0.000 1.303 92 F CB -0.551 38.557 39.000 0.180 0.000 1.024 92 F HN 0.056 nan 8.300 nan 0.000 0.494 93 G N -1.116 107.885 108.800 0.336 0.000 2.404 93 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.214 93 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.214 93 G C 1.319 176.244 174.900 0.042 0.000 1.189 93 G CA 0.763 45.963 45.100 0.167 0.000 0.789 93 G HN 0.431 nan 8.290 nan 0.000 0.533 94 Y N -0.111 120.201 120.300 0.020 0.000 2.224 94 Y HA -0.015 4.535 4.550 -0.001 0.000 0.289 94 Y C 2.348 178.204 175.900 -0.073 0.000 1.146 94 Y CA 1.061 59.118 58.100 -0.070 0.000 1.182 94 Y CB -0.599 37.846 38.460 -0.024 0.000 0.983 94 Y HN 0.254 nan 8.280 nan 0.000 0.524 95 F N -0.140 119.811 119.950 0.002 0.000 2.026 95 F HA -0.295 4.232 4.527 -0.001 0.000 0.296 95 F C 2.066 177.807 175.800 -0.097 0.000 1.133 95 F CA 0.951 58.909 58.000 -0.070 0.000 1.188 95 F CB -0.339 38.620 39.000 -0.069 0.000 0.968 95 F HN -0.101 nan 8.300 nan 0.000 0.476 96 L N 0.418 121.424 121.223 -0.361 0.000 2.137 96 L HA -0.248 4.092 4.340 -0.001 0.000 0.213 96 L C 2.232 178.982 176.870 -0.199 0.000 1.085 96 L CA 1.282 55.892 54.840 -0.384 0.000 0.760 96 L CB -1.440 40.361 42.059 -0.430 0.000 0.893 96 L HN 0.211 nan 8.230 nan 0.000 0.434 97 V N -1.000 118.789 119.914 -0.208 0.000 2.300 97 V HA -0.130 3.990 4.120 -0.001 0.000 0.241 97 V C 2.605 178.544 176.094 -0.258 0.000 1.034 97 V CA 0.966 63.134 62.300 -0.219 0.000 1.021 97 V CB -0.464 31.194 31.823 -0.275 0.000 0.662 97 V HN 0.318 nan 8.190 nan 0.000 0.458 98 R N 0.495 120.811 120.500 -0.307 0.000 2.127 98 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 98 R C 2.193 178.345 176.300 -0.247 0.000 1.134 98 R CA 1.485 57.391 56.100 -0.324 0.000 0.975 98 R CB -0.450 29.664 30.300 -0.309 0.000 0.865 98 R HN 0.403 nan 8.270 nan 0.000 0.447 99 K N -0.466 119.741 120.400 -0.321 0.000 2.099 99 K HA -0.024 4.295 4.320 -0.001 0.000 0.203 99 K C 1.197 177.403 176.600 -0.656 0.000 1.047 99 K CA 1.186 57.144 56.287 -0.548 0.000 0.963 99 K CB 0.056 31.960 32.500 -0.993 0.000 0.759 99 K HN 0.103 nan 8.250 nan 0.000 0.451 100 Y N -1.263 118.856 120.300 -0.303 0.000 2.445 100 Y HA 0.527 5.077 4.550 -0.001 0.000 0.247 100 Y C -0.272 175.515 175.900 -0.189 0.000 1.129 100 Y CA -0.168 57.800 58.100 -0.220 0.000 1.251 100 Y CB 1.162 39.486 38.460 -0.228 0.000 1.176 100 Y HN 0.055 nan 8.280 nan 0.000 0.522 101 A N -0.396 122.376 122.820 -0.078 0.000 2.730 101 A HA 0.394 4.714 4.320 -0.001 0.000 0.280 101 A C -2.485 175.010 177.584 -0.148 0.000 1.307 101 A CA -0.738 51.230 52.037 -0.116 0.000 0.933 101 A CB 0.104 19.032 19.000 -0.120 0.000 1.431 101 A HN -0.038 nan 8.150 nan 0.000 0.601 102 P HA -0.230 nan 4.420 nan 0.000 0.217 102 P C 1.306 178.520 177.300 -0.143 0.000 1.148 102 P CA 2.000 64.996 63.100 -0.172 0.000 0.828 102 P CB 0.219 31.842 31.700 -0.127 0.000 0.783 103 E N -0.197 119.933 120.200 -0.117 0.000 2.204 103 E HA -0.052 4.298 4.350 -0.001 0.000 0.194 103 E C 1.499 178.036 176.600 -0.105 0.000 0.989 103 E CA 0.893 57.234 56.400 -0.098 0.000 0.824 103 E CB -0.805 28.837 29.700 -0.096 0.000 0.756 103 E HN 0.111 nan 8.360 nan 0.000 0.477 104 A N 1.630 124.374 122.820 -0.126 0.000 2.310 104 A HA 0.308 4.628 4.320 -0.001 0.000 0.230 104 A C 0.839 178.341 177.584 -0.136 0.000 1.294 104 A CA 0.221 52.185 52.037 -0.123 0.000 0.898 104 A CB -0.434 18.492 19.000 -0.123 0.000 0.917 104 A HN 0.257 nan 8.150 nan 0.000 0.491 105 G N -2.322 106.391 108.800 -0.145 0.000 2.434 105 G HA2 0.594 4.554 3.960 -0.001 0.000 0.330 105 G HA3 0.594 4.554 3.960 -0.001 0.000 0.330 105 G C 0.624 175.448 174.900 -0.127 0.000 1.155 105 G CA 0.100 45.095 45.100 -0.176 0.000 0.917 105 G HN 1.377 nan 8.290 nan 0.000 0.493 106 G N -0.050 108.655 108.800 -0.159 0.000 2.547 106 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.271 106 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.271 106 G C 1.500 176.473 174.900 0.122 0.000 1.209 106 G CA 1.059 46.054 45.100 -0.173 0.000 0.959 106 G HN 1.719 nan 8.290 nan 0.000 0.563 107 S N -0.531 115.392 115.700 0.372 0.000 2.374 107 S HA 0.316 4.785 4.470 -0.001 0.000 0.207 107 S C 2.278 176.955 174.600 0.129 0.000 1.042 107 S CA 3.443 61.879 58.200 0.393 0.000 1.034 107 S CB -0.619 62.899 63.200 0.530 0.000 1.018 107 S HN 2.829 nan 8.310 nan 0.000 0.419 108 G N -0.257 108.585 108.800 0.071 0.000 2.480 108 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.193 108 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.193 108 G C 0.927 175.784 174.900 -0.072 0.000 1.004 108 G CA 0.240 45.327 45.100 -0.023 0.000 0.696 108 G HN 0.497 nan 8.290 nan 0.000 0.478 109 I N 1.750 122.247 120.570 -0.120 0.000 2.179 109 I HA -0.057 4.113 4.170 -0.001 0.000 0.242 109 I C 0.052 176.005 176.117 -0.274 0.000 1.088 109 I CA 1.722 62.844 61.300 -0.296 0.000 1.357 109 I CB -0.839 36.760 38.000 -0.668 0.000 1.051 109 I HN 0.155 nan 8.210 nan 0.000 0.409 110 P HA -0.182 nan 4.420 nan 0.000 0.215 110 P C 1.412 178.692 177.300 -0.033 0.000 1.153 110 P CA 1.333 64.421 63.100 -0.020 0.000 0.853 110 P CB 0.086 31.861 31.700 0.126 0.000 0.788 111 E N -0.278 119.902 120.200 -0.033 0.000 2.023 111 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 111 E C 1.961 178.527 176.600 -0.058 0.000 1.003 111 E CA 1.229 57.606 56.400 -0.039 0.000 0.809 111 E CB -1.077 28.596 29.700 -0.045 0.000 0.755 111 E HN 0.015 nan 8.360 nan 0.000 0.449 112 I N 1.285 121.804 120.570 -0.084 0.000 2.361 112 I HA -0.214 3.955 4.170 -0.001 0.000 0.251 112 I C 1.995 178.049 176.117 -0.104 0.000 1.133 112 I CA 1.386 62.631 61.300 -0.091 0.000 1.413 112 I CB -1.083 36.851 38.000 -0.110 0.000 1.073 112 I HN 0.284 nan 8.210 nan 0.000 0.424 113 E N 0.609 120.735 120.200 -0.123 0.000 2.106 113 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 113 E C 2.313 178.870 176.600 -0.071 0.000 0.984 113 E CA 1.143 57.470 56.400 -0.121 0.000 0.806 113 E CB -0.301 29.328 29.700 -0.117 0.000 0.750 113 E HN 0.556 nan 8.360 nan 0.000 0.458 114 G N 1.627 110.402 108.800 -0.043 0.000 2.446 114 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.217 114 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.217 114 G C 1.747 176.637 174.900 -0.017 0.000 1.168 114 G CA 1.000 46.090 45.100 -0.017 0.000 0.771 114 G HN 0.349 nan 8.290 nan 0.000 0.551 115 A N 0.462 123.268 122.820 -0.022 0.000 1.978 115 A HA 0.068 4.387 4.320 -0.001 0.000 0.220 115 A C 2.405 179.984 177.584 -0.008 0.000 1.170 115 A CA 1.291 53.329 52.037 0.001 0.000 0.636 115 A CB -0.365 18.637 19.000 0.002 0.000 0.810 115 A HN 0.377 nan 8.150 nan 0.000 0.448 116 L N -0.742 120.431 121.223 -0.083 0.000 2.201 116 L HA -0.090 4.250 4.340 -0.001 0.000 0.212 116 L C 1.999 178.710 176.870 -0.265 0.000 1.105 116 L CA 0.820 55.527 54.840 -0.222 0.000 0.775 116 L CB -0.300 41.616 42.059 -0.240 0.000 0.913 116 L HN 0.320 nan 8.230 nan 0.000 0.440 117 E N -0.561 119.580 120.200 -0.098 0.000 2.489 117 E HA -0.075 4.275 4.350 -0.001 0.000 0.193 117 E C -0.152 176.473 176.600 0.041 0.000 1.057 117 E CA 0.173 56.555 56.400 -0.030 0.000 0.866 117 E CB 0.125 29.828 29.700 0.006 0.000 0.916 117 E HN 0.320 nan 8.360 nan 0.000 0.500 118 D N 0.630 121.072 120.400 0.069 0.000 2.870 118 D HA -0.171 4.469 4.640 -0.001 0.000 0.228 118 D C 0.469 176.806 176.300 0.063 0.000 1.147 118 D CA 0.536 54.597 54.000 0.103 0.000 0.757 118 D CB -0.727 40.158 40.800 0.143 0.000 1.091 118 D HN 0.256 nan 8.370 nan 0.000 0.429 119 Q N -0.747 119.078 119.800 0.041 0.000 2.189 119 Q HA 0.157 4.496 4.340 -0.001 0.000 0.223 119 Q C 0.381 176.395 176.000 0.023 0.000 0.828 119 Q CA 0.295 56.116 55.803 0.030 0.000 0.967 119 Q CB 1.221 29.974 28.738 0.024 0.000 1.139 119 Q HN 0.261 nan 8.270 nan 0.000 0.497 120 R N 0.744 121.258 120.500 0.023 0.000 2.604 120 R HA 0.453 4.793 4.340 -0.001 0.000 0.270 120 R C -2.680 173.631 176.300 0.019 0.000 1.052 120 R CA -1.565 54.543 56.100 0.013 0.000 0.902 120 R CB 1.563 31.862 30.300 -0.001 0.000 1.233 120 R HN -0.062 nan 8.270 nan 0.000 0.455 121 P HA 0.282 nan 4.420 nan 0.000 0.276 121 P C -0.402 176.890 177.300 -0.014 0.000 1.261 121 P CA -0.461 62.654 63.100 0.026 0.000 0.800 121 P CB 0.977 32.699 31.700 0.037 0.000 1.066 122 V N 2.264 122.178 119.914 -0.001 0.000 2.271 122 V HA 0.219 4.339 4.120 -0.001 0.000 0.259 122 V C 1.047 177.009 176.094 -0.220 0.000 1.030 122 V CA -0.486 61.790 62.300 -0.039 0.000 0.957 122 V CB -0.255 31.610 31.823 0.069 0.000 1.186 122 V HN 0.432 nan 8.190 nan 0.000 0.471 123 R N 3.352 123.536 120.500 -0.526 0.000 4.113 123 R HA 0.003 4.342 4.340 -0.001 0.000 0.179 123 R C 1.515 176.968 176.300 -1.413 0.000 1.781 123 R CA -0.156 55.066 56.100 -1.464 0.000 1.402 123 R CB -0.103 29.621 30.300 -0.961 0.000 1.375 123 R HN 0.936 nan 8.270 nan 0.000 0.786 124 W N 1.114 121.853 121.300 -0.936 0.000 2.350 124 W HA -0.225 4.434 4.660 -0.000 0.000 0.289 124 W C 0.713 177.015 176.519 -0.361 0.000 1.215 124 W CA 0.507 57.584 57.345 -0.446 0.000 1.236 124 W CB -0.962 28.411 29.460 -0.145 0.000 1.130 124 W HN 0.481 nan 8.180 nan 0.000 0.541 125 W N 1.611 122.526 121.300 -0.642 0.000 2.468 125 W HA 0.123 4.782 4.660 -0.001 0.000 0.262 125 W C 2.079 178.493 176.519 -0.175 0.000 1.241 125 W CA 1.226 58.251 57.345 -0.534 0.000 1.232 125 W CB -1.174 27.734 29.460 -0.921 0.000 1.124 125 W HN -0.214 nan 8.180 nan 0.000 0.597 126 R N 0.339 120.414 120.500 -0.708 0.000 2.084 126 R HA 0.059 4.399 4.340 -0.001 0.000 0.209 126 R C 2.264 178.430 176.300 -0.222 0.000 1.173 126 R CA 0.891 56.778 56.100 -0.354 0.000 1.053 126 R CB -0.706 29.353 30.300 -0.402 0.000 0.948 126 R HN 0.061 nan 8.270 nan 0.000 0.460 127 V N 2.429 122.173 119.914 -0.283 0.000 2.282 127 V HA -0.288 3.832 4.120 -0.001 0.000 0.249 127 V C 2.422 178.475 176.094 -0.068 0.000 1.057 127 V CA 1.820 64.023 62.300 -0.161 0.000 1.032 127 V CB -0.596 31.123 31.823 -0.175 0.000 0.645 127 V HN 0.276 nan 8.190 nan 0.000 0.447 128 L N 0.541 121.751 121.223 -0.023 0.000 1.963 128 L HA -0.176 4.164 4.340 -0.001 0.000 0.220 128 L C 0.452 177.352 176.870 0.050 0.000 1.076 128 L CA 2.485 57.334 54.840 0.016 0.000 0.772 128 L CB -2.258 39.840 42.059 0.065 0.000 0.892 128 L HN 0.380 nan 8.230 nan 0.000 0.435 129 P HA -0.089 nan 4.420 nan 0.000 0.221 129 P C 1.810 179.276 177.300 0.276 0.000 1.150 129 P CA 1.226 64.465 63.100 0.232 0.000 0.800 129 P CB 0.134 31.940 31.700 0.177 0.000 0.787 130 V N 0.771 120.738 119.914 0.087 0.000 2.302 130 V HA -0.155 3.964 4.120 -0.001 0.000 0.243 130 V C 2.792 178.914 176.094 0.047 0.000 1.036 130 V CA 1.976 64.293 62.300 0.029 0.000 1.020 130 V CB -1.103 30.686 31.823 -0.058 0.000 0.657 130 V HN 0.051 nan 8.190 nan 0.000 0.453 131 K N 0.126 120.526 120.400 -0.001 0.000 2.063 131 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 131 K C 1.882 178.453 176.600 -0.048 0.000 1.048 131 K CA 1.719 57.972 56.287 -0.056 0.000 0.928 131 K CB -0.686 31.749 32.500 -0.108 0.000 0.713 131 K HN 0.361 nan 8.250 nan 0.000 0.442 132 F N -0.248 119.606 119.950 -0.158 0.000 2.000 132 F HA -0.158 4.369 4.527 -0.001 0.000 0.295 132 F C 1.702 177.495 175.800 -0.012 0.000 1.159 132 F CA 1.822 59.700 58.000 -0.202 0.000 1.171 132 F CB -0.516 38.285 39.000 -0.332 0.000 0.971 132 F HN 0.002 nan 8.300 nan 0.000 0.479 133 F N 0.835 121.017 119.950 0.386 0.000 2.269 133 F HA -0.015 4.511 4.527 -0.001 0.000 0.301 133 F C 2.527 178.507 175.800 0.300 0.000 1.082 133 F CA 1.149 59.349 58.000 0.332 0.000 1.360 133 F CB -1.423 37.826 39.000 0.415 0.000 1.041 133 F HN 0.133 nan 8.300 nan 0.000 0.512 134 G N -0.250 108.734 108.800 0.306 0.000 2.404 134 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.214 134 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.214 134 G C 2.080 177.080 174.900 0.168 0.000 1.189 134 G CA 0.705 45.903 45.100 0.164 0.000 0.789 134 G HN 0.463 nan 8.290 nan 0.000 0.533 135 G N 0.633 109.521 108.800 0.146 0.000 2.422 135 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.218 135 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.218 135 G C 1.724 176.792 174.900 0.280 0.000 1.146 135 G CA 0.772 46.011 45.100 0.233 0.000 0.769 135 G HN 0.310 nan 8.290 nan 0.000 0.547 136 L N 1.514 122.888 121.223 0.251 0.000 2.081 136 L HA 0.003 4.343 4.340 -0.001 0.000 0.212 136 L C 2.872 179.787 176.870 0.076 0.000 1.080 136 L CA 1.956 56.795 54.840 -0.003 0.000 0.754 136 L CB -0.876 41.167 42.059 -0.027 0.000 0.893 136 L HN 0.230 nan 8.230 nan 0.000 0.433 137 G N -2.319 106.610 108.800 0.217 0.000 2.394 137 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.214 137 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.214 137 G C 1.527 176.526 174.900 0.165 0.000 1.176 137 G CA 1.099 46.343 45.100 0.240 0.000 0.786 137 G HN 0.468 nan 8.290 nan 0.000 0.533 138 T N -0.086 114.556 114.554 0.148 0.000 2.770 138 T HA 0.061 4.410 4.350 -0.001 0.000 0.263 138 T C 2.288 177.035 174.700 0.078 0.000 1.039 138 T CA 0.683 62.852 62.100 0.116 0.000 1.142 138 T CB -0.231 68.674 68.868 0.061 0.000 0.868 138 T HN -0.013 nan 8.240 nan 0.000 0.435 139 L N 1.585 122.844 121.223 0.060 0.000 2.072 139 L HA 0.171 4.510 4.340 -0.001 0.000 0.205 139 L C 3.018 179.862 176.870 -0.044 0.000 1.079 139 L CA 2.090 56.932 54.840 0.003 0.000 0.752 139 L CB -1.832 40.203 42.059 -0.040 0.000 0.906 139 L HN 0.536 nan 8.230 nan 0.000 0.436 140 G N -0.989 107.777 108.800 -0.056 0.000 2.598 140 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.215 140 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.215 140 G C 1.422 176.310 174.900 -0.021 0.000 1.131 140 G CA 0.644 45.712 45.100 -0.052 0.000 0.785 140 G HN 0.505 nan 8.290 nan 0.000 0.539 141 G N -0.741 108.063 108.800 0.007 0.000 3.042 141 G HA2 0.381 4.340 3.960 -0.001 0.000 0.212 141 G HA3 0.381 4.340 3.960 -0.001 0.000 0.212 141 G C 1.144 176.043 174.900 -0.001 0.000 1.166 141 G CA 0.411 45.515 45.100 0.006 0.000 0.767 141 G HN 1.290 nan 8.290 nan 0.000 0.546 142 G N -0.256 108.546 108.800 0.003 0.000 2.131 142 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.223 142 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.223 142 G C 0.422 175.335 174.900 0.022 0.000 0.990 142 G CA 0.151 45.256 45.100 0.009 0.000 0.671 142 G HN 0.382 nan 8.290 nan 0.000 0.521 143 M N 0.056 119.677 119.600 0.036 0.000 2.226 143 M HA 0.326 4.805 4.480 -0.001 0.000 0.324 143 M C 1.165 177.497 176.300 0.054 0.000 1.112 143 M CA -0.163 55.172 55.300 0.058 0.000 1.176 143 M CB 1.063 33.720 32.600 0.094 0.000 1.430 143 M HN -0.090 nan 8.290 nan 0.000 0.462 144 V N 4.421 124.376 119.914 0.069 0.000 1.973 144 V HA 0.173 4.292 4.120 -0.001 0.000 0.255 144 V C -0.146 176.002 176.094 0.091 0.000 1.605 144 V CA 0.340 62.677 62.300 0.062 0.000 1.542 144 V CB -1.690 30.173 31.823 0.068 0.000 1.504 144 V HN 0.520 nan 8.190 nan 0.000 0.505 145 L N 1.486 122.753 121.223 0.073 0.000 2.434 145 L HA 0.794 5.133 4.340 -0.001 0.000 0.260 145 L C 0.661 177.562 176.870 0.051 0.000 0.983 145 L CA -0.561 54.342 54.840 0.104 0.000 0.820 145 L CB 2.091 44.236 42.059 0.143 0.000 1.361 145 L HN 0.443 nan 8.230 nan 0.000 0.410 146 G N 0.259 109.100 108.800 0.068 0.000 2.535 146 G HA2 0.437 4.396 3.960 -0.001 0.000 0.303 146 G HA3 0.437 4.396 3.960 -0.001 0.000 0.303 146 G C 0.323 175.258 174.900 0.058 0.000 1.237 146 G CA -0.439 44.677 45.100 0.026 0.000 0.986 146 G HN 0.709 nan 8.290 nan 0.000 0.494 147 R N -0.752 119.752 120.500 0.007 0.000 2.223 147 R HA 0.050 4.389 4.340 -0.001 0.000 0.198 147 R C 2.261 178.495 176.300 -0.110 0.000 0.984 147 R CA 0.737 56.882 56.100 0.074 0.000 1.018 147 R CB 0.126 30.477 30.300 0.085 0.000 0.945 147 R HN 0.593 nan 8.270 nan 0.000 0.479 148 E N 0.676 120.752 120.200 -0.206 0.000 2.048 148 E HA -0.189 4.160 4.350 -0.001 0.000 0.202 148 E C 1.981 178.490 176.600 -0.152 0.000 1.021 148 E CA 1.608 57.843 56.400 -0.274 0.000 0.825 148 E CB -0.981 28.555 29.700 -0.273 0.000 0.756 148 E HN 0.368 nan 8.360 nan 0.000 0.454 149 G N 1.770 110.551 108.800 -0.033 0.000 2.721 149 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 149 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 149 G C -0.771 174.063 174.900 -0.110 0.000 1.265 149 G CA 1.474 46.574 45.100 0.000 0.000 0.796 149 G HN 0.290 nan 8.290 nan 0.000 0.620 150 P HA -0.168 nan 4.420 nan 0.000 0.215 150 P C 2.476 179.548 177.300 -0.381 0.000 1.163 150 P CA 2.959 65.828 63.100 -0.385 0.000 0.894 150 P CB -0.490 30.746 31.700 -0.774 0.000 0.791 151 T N -3.249 111.091 114.554 -0.356 0.000 2.746 151 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 151 T C 1.825 176.415 174.700 -0.182 0.000 1.039 151 T CA 1.485 63.430 62.100 -0.257 0.000 1.142 151 T CB -1.546 67.201 68.868 -0.203 0.000 0.866 151 T HN -0.137 nan 8.240 nan 0.000 0.444 152 V N 1.853 121.668 119.914 -0.166 0.000 2.343 152 V HA -0.203 3.917 4.120 -0.001 0.000 0.247 152 V C 2.939 178.968 176.094 -0.108 0.000 1.051 152 V CA 2.221 64.453 62.300 -0.114 0.000 1.036 152 V CB -0.968 30.809 31.823 -0.076 0.000 0.654 152 V HN 0.557 nan 8.190 nan 0.000 0.451 153 Q N -0.294 119.434 119.800 -0.120 0.000 2.049 153 Q HA -0.133 4.206 4.340 -0.001 0.000 0.198 153 Q C 2.259 178.194 176.000 -0.109 0.000 0.971 153 Q CA 1.762 57.500 55.803 -0.109 0.000 0.833 153 Q CB -0.132 28.541 28.738 -0.108 0.000 0.896 153 Q HN 0.614 nan 8.270 nan 0.000 0.434 154 I N 0.409 120.898 120.570 -0.135 0.000 2.335 154 I HA -0.216 3.954 4.170 -0.001 0.000 0.251 154 I C 2.174 178.231 176.117 -0.101 0.000 1.129 154 I CA 1.012 62.242 61.300 -0.116 0.000 1.402 154 I CB -0.625 37.294 38.000 -0.136 0.000 1.069 154 I HN 0.389 nan 8.210 nan 0.000 0.424 155 G N 0.805 109.541 108.800 -0.106 0.000 2.434 155 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.214 155 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.214 155 G C 1.724 176.576 174.900 -0.080 0.000 1.202 155 G CA 0.788 45.832 45.100 -0.092 0.000 0.788 155 G HN 0.456 nan 8.290 nan 0.000 0.539 156 G N 1.036 109.793 108.800 -0.073 0.000 2.476 156 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 156 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 156 G C 1.747 176.620 174.900 -0.045 0.000 1.164 156 G CA 1.340 46.406 45.100 -0.057 0.000 0.768 156 G HN 0.465 nan 8.290 nan 0.000 0.560 157 N N 0.337 119.011 118.700 -0.044 0.000 2.166 157 N HA -0.061 4.679 4.740 -0.001 0.000 0.186 157 N C 2.073 177.533 175.510 -0.083 0.000 1.019 157 N CA 0.734 53.779 53.050 -0.009 0.000 0.856 157 N CB -0.109 38.385 38.487 0.012 0.000 0.993 157 N HN 0.196 nan 8.380 nan 0.000 0.426 158 I N 0.211 120.713 120.570 -0.113 0.000 2.286 158 I HA -0.117 4.053 4.170 -0.001 0.000 0.248 158 I C 2.274 178.285 176.117 -0.176 0.000 1.115 158 I CA 1.206 62.404 61.300 -0.171 0.000 1.392 158 I CB -1.549 36.371 38.000 -0.132 0.000 1.065 158 I HN 0.182 nan 8.210 nan 0.000 0.418 159 G N 0.466 109.199 108.800 -0.112 0.000 2.422 159 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 159 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 159 G C 1.870 176.728 174.900 -0.070 0.000 1.140 159 G CA 0.734 45.787 45.100 -0.079 0.000 0.775 159 G HN 0.246 nan 8.290 nan 0.000 0.545 160 R N 0.149 120.606 120.500 -0.071 0.000 2.075 160 R HA 0.177 4.516 4.340 -0.001 0.000 0.226 160 R C 2.440 178.632 176.300 -0.181 0.000 1.114 160 R CA 1.492 57.586 56.100 -0.010 0.000 0.972 160 R CB -0.689 29.692 30.300 0.135 0.000 0.869 160 R HN 0.337 nan 8.270 nan 0.000 0.437 161 M N 0.431 119.669 119.600 -0.603 0.000 2.144 161 M HA -0.173 4.307 4.480 -0.001 0.000 0.260 161 M C 1.746 177.700 176.300 -0.577 0.000 1.067 161 M CA 2.375 56.928 55.300 -1.244 0.000 1.095 161 M CB -0.071 31.648 32.600 -1.468 0.000 1.365 161 M HN 0.171 nan 8.290 nan 0.000 0.406 162 V N -1.367 118.384 119.914 -0.271 0.000 2.453 162 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 162 V C 2.215 178.388 176.094 0.131 0.000 1.048 162 V CA 1.364 63.666 62.300 0.004 0.000 1.049 162 V CB -1.298 30.600 31.823 0.125 0.000 0.672 162 V HN 0.551 nan 8.190 nan 0.000 0.457 163 L N 1.466 122.725 121.223 0.059 0.000 2.012 163 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 163 L C 2.176 179.104 176.870 0.095 0.000 1.073 163 L CA 2.577 57.477 54.840 0.100 0.000 0.748 163 L CB -0.919 41.184 42.059 0.074 0.000 0.891 163 L HN 0.325 nan 8.230 nan 0.000 0.431 164 D N -0.565 119.875 120.400 0.067 0.000 2.123 164 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 164 D C 2.312 178.613 176.300 0.002 0.000 0.976 164 D CA 1.548 55.615 54.000 0.111 0.000 0.831 164 D CB -0.123 40.873 40.800 0.327 0.000 0.974 164 D HN 0.409 nan 8.370 nan 0.000 0.469 165 I N -0.399 120.073 120.570 -0.162 0.000 2.614 165 I HA -0.181 3.989 4.170 -0.001 0.000 0.258 165 I C 0.821 176.582 176.117 -0.593 0.000 1.189 165 I CA 0.716 61.775 61.300 -0.402 0.000 1.462 165 I CB 0.011 37.625 38.000 -0.643 0.000 1.092 165 I HN -0.103 nan 8.210 nan 0.000 0.442 166 F N 0.259 120.213 119.950 0.007 0.000 2.654 166 F HA 0.289 4.815 4.527 -0.001 0.000 0.303 166 F C 0.968 176.781 175.800 0.023 0.000 1.099 166 F CA -0.547 57.463 58.000 0.017 0.000 1.270 166 F CB -0.168 38.844 39.000 0.021 0.000 1.024 166 F HN -0.153 nan 8.300 nan 0.000 0.548 167 R N 0.119 120.681 120.500 0.104 0.000 3.591 167 R HA -0.233 4.107 4.340 -0.001 0.000 0.268 167 R C -0.198 176.161 176.300 0.099 0.000 1.102 167 R CA 0.160 56.310 56.100 0.084 0.000 0.732 167 R CB -2.445 27.890 30.300 0.058 0.000 1.117 167 R HN 0.310 nan 8.270 nan 0.000 0.472 168 L N 1.084 122.385 121.223 0.130 0.000 2.540 168 L HA -0.007 4.333 4.340 -0.001 0.000 0.276 168 L C 0.961 177.871 176.870 0.065 0.000 1.212 168 L CA 0.974 55.874 54.840 0.100 0.000 0.893 168 L CB 0.312 42.433 42.059 0.104 0.000 1.138 168 L HN 0.136 nan 8.230 nan 0.000 0.491 169 K N 2.190 122.618 120.400 0.046 0.000 2.221 169 K HA 0.773 5.092 4.320 -0.001 0.000 0.243 169 K C -0.222 176.386 176.600 0.013 0.000 0.968 169 K CA 0.037 56.342 56.287 0.029 0.000 0.846 169 K CB 1.718 34.233 32.500 0.025 0.000 1.141 169 K HN 0.708 nan 8.250 nan 0.000 0.434 170 G N 2.035 110.833 108.800 -0.003 0.000 2.570 170 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.686 170 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.686 170 G C -0.353 174.507 174.900 -0.066 0.000 1.257 170 G CA -0.372 44.714 45.100 -0.023 0.000 0.846 170 G HN 0.669 nan 8.290 nan 0.000 0.627 171 D N -0.167 120.169 120.400 -0.106 0.000 2.077 171 D HA -0.045 4.594 4.640 -0.001 0.000 0.196 171 D C 2.117 178.280 176.300 -0.228 0.000 0.986 171 D CA 1.489 55.337 54.000 -0.253 0.000 0.829 171 D CB -0.252 40.414 40.800 -0.223 0.000 0.983 171 D HN 0.687 nan 8.370 nan 0.000 0.453 172 E N 0.420 120.569 120.200 -0.084 0.000 2.086 172 E HA -0.288 4.061 4.350 -0.001 0.000 0.205 172 E C 1.914 178.516 176.600 0.004 0.000 1.027 172 E CA 1.639 58.034 56.400 -0.009 0.000 0.830 172 E CB -0.082 29.629 29.700 0.018 0.000 0.751 172 E HN 0.200 nan 8.360 nan 0.000 0.456 173 A N 0.956 123.774 122.820 -0.005 0.000 1.902 173 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 173 A C 2.193 179.790 177.584 0.023 0.000 1.181 173 A CA 1.633 53.679 52.037 0.015 0.000 0.623 173 A CB -0.558 18.455 19.000 0.021 0.000 0.818 173 A HN 0.259 nan 8.150 nan 0.000 0.443 174 R N -1.194 119.303 120.500 -0.004 0.000 2.066 174 R HA -0.147 4.193 4.340 -0.001 0.000 0.232 174 R C 2.071 178.442 176.300 0.118 0.000 1.131 174 R CA 1.808 57.926 56.100 0.029 0.000 0.955 174 R CB -0.434 29.854 30.300 -0.021 0.000 0.851 174 R HN 0.792 nan 8.270 nan 0.000 0.432 175 H N -1.422 117.650 119.070 0.005 0.000 2.363 175 H HA -0.036 4.519 4.556 -0.001 0.000 0.301 175 H C 1.930 177.244 175.328 -0.023 0.000 1.074 175 H CA 1.404 57.444 56.048 -0.014 0.000 1.354 175 H CB 0.227 29.976 29.762 -0.022 0.000 1.397 175 H HN 0.227 nan 8.280 nan 0.000 0.516 176 T N 1.191 115.814 114.554 0.116 0.000 2.701 176 T HA -0.094 4.256 4.350 -0.001 0.000 0.263 176 T C 2.129 176.845 174.700 0.027 0.000 1.040 176 T CA 0.764 62.894 62.100 0.051 0.000 1.147 176 T CB -0.217 68.673 68.868 0.038 0.000 0.865 176 T HN 0.196 nan 8.240 nan 0.000 0.426 177 L N 0.557 121.796 121.223 0.027 0.000 2.265 177 L HA -0.036 4.303 4.340 -0.001 0.000 0.215 177 L C 2.380 179.249 176.870 -0.002 0.000 1.117 177 L CA 0.755 55.598 54.840 0.005 0.000 0.782 177 L CB -0.532 41.532 42.059 0.009 0.000 0.914 177 L HN 0.256 nan 8.230 nan 0.000 0.441 178 L N 0.168 121.401 121.223 0.017 0.000 2.068 178 L HA -0.004 4.335 4.340 -0.001 0.000 0.204 178 L C 2.661 179.515 176.870 -0.026 0.000 1.076 178 L CA 1.860 56.701 54.840 0.002 0.000 0.753 178 L CB -0.633 41.444 42.059 0.030 0.000 0.910 178 L HN 0.080 nan 8.230 nan 0.000 0.439 179 A N -1.000 121.806 122.820 -0.025 0.000 1.902 179 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 179 A C 2.372 179.933 177.584 -0.039 0.000 1.181 179 A CA 2.464 54.471 52.037 -0.049 0.000 0.623 179 A CB -1.373 17.597 19.000 -0.049 0.000 0.818 179 A HN 0.622 nan 8.150 nan 0.000 0.443 180 T N -2.932 111.606 114.554 -0.027 0.000 2.857 180 T HA 0.061 4.410 4.350 -0.001 0.000 0.266 180 T C 1.919 176.593 174.700 -0.043 0.000 1.048 180 T CA 1.590 63.672 62.100 -0.029 0.000 1.139 180 T CB -0.874 67.981 68.868 -0.022 0.000 0.874 180 T HN 0.404 nan 8.240 nan 0.000 0.455 181 G N 0.973 109.744 108.800 -0.048 0.000 2.448 181 G HA2 0.094 4.053 3.960 -0.001 0.000 0.219 181 G HA3 0.094 4.053 3.960 -0.001 0.000 0.219 181 G C 1.821 176.684 174.900 -0.062 0.000 1.127 181 G CA 0.807 45.871 45.100 -0.060 0.000 0.766 181 G HN 0.762 nan 8.290 nan 0.000 0.552 182 A N 1.034 123.821 122.820 -0.055 0.000 1.874 182 A HA 0.442 4.761 4.320 -0.001 0.000 0.214 182 A C 2.805 180.375 177.584 -0.022 0.000 1.189 182 A CA 1.883 53.891 52.037 -0.049 0.000 0.615 182 A CB -0.756 18.207 19.000 -0.061 0.000 0.830 182 A HN 0.659 nan 8.150 nan 0.000 0.443 183 A N 0.113 122.923 122.820 -0.018 0.000 1.877 183 A HA 0.149 4.469 4.320 -0.001 0.000 0.216 183 A C 2.499 180.056 177.584 -0.046 0.000 1.186 183 A CA 2.151 54.185 52.037 -0.006 0.000 0.620 183 A CB -1.123 17.864 19.000 -0.023 0.000 0.822 183 A HN 1.103 nan 8.150 nan 0.000 0.443 184 A N -0.590 122.195 122.820 -0.059 0.000 2.024 184 A HA 0.094 4.413 4.320 -0.001 0.000 0.220 184 A C 2.321 179.856 177.584 -0.082 0.000 1.164 184 A CA 1.949 53.944 52.037 -0.069 0.000 0.643 184 A CB -1.238 17.724 19.000 -0.063 0.000 0.806 184 A HN 0.728 nan 8.150 nan 0.000 0.451 185 G N -0.469 108.280 108.800 -0.085 0.000 2.394 185 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.215 185 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.215 185 G C 1.460 176.267 174.900 -0.155 0.000 1.165 185 G CA 1.075 46.108 45.100 -0.112 0.000 0.784 185 G HN 0.439 nan 8.290 nan 0.000 0.535 186 L N 1.277 122.418 121.223 -0.138 0.000 2.027 186 L HA 0.237 4.576 4.340 -0.001 0.000 0.206 186 L C 3.138 179.907 176.870 -0.167 0.000 1.074 186 L CA 1.984 56.705 54.840 -0.197 0.000 0.745 186 L CB -0.750 41.210 42.059 -0.165 0.000 0.898 186 L HN 0.235 nan 8.230 nan 0.000 0.433 187 A N -0.243 122.504 122.820 -0.121 0.000 1.873 187 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 187 A C 2.319 179.782 177.584 -0.202 0.000 1.193 187 A CA 2.197 54.159 52.037 -0.125 0.000 0.629 187 A CB -1.348 17.587 19.000 -0.109 0.000 0.826 187 A HN 0.552 nan 8.150 nan 0.000 0.447 188 A N -1.150 121.560 122.820 -0.183 0.000 2.239 188 A HA 0.413 4.733 4.320 -0.001 0.000 0.209 188 A C 2.118 179.541 177.584 -0.268 0.000 1.171 188 A CA 1.453 53.371 52.037 -0.198 0.000 0.768 188 A CB -0.607 18.373 19.000 -0.033 0.000 0.790 188 A HN 0.951 nan 8.150 nan 0.000 0.478 189 A N -1.202 121.410 122.820 -0.346 0.000 1.911 189 A HA 0.334 4.653 4.320 -0.001 0.000 0.212 189 A C 1.422 178.665 177.584 -0.568 0.000 1.189 189 A CA 0.853 52.598 52.037 -0.485 0.000 0.639 189 A CB -0.236 18.308 19.000 -0.761 0.000 0.839 189 A HN 0.486 nan 8.150 nan 0.000 0.449 190 F N -1.312 118.533 119.950 -0.176 0.000 2.682 190 F HA 0.231 4.758 4.527 -0.001 0.000 0.308 190 F C 0.804 176.407 175.800 -0.328 0.000 1.093 190 F CA 0.100 57.995 58.000 -0.174 0.000 1.244 190 F CB 0.240 39.188 39.000 -0.088 0.000 1.052 190 F HN 0.280 nan 8.300 nan 0.000 0.573 191 N N 1.772 120.209 118.700 -0.438 0.000 2.740 191 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 191 N C -0.654 174.751 175.510 -0.175 0.000 1.062 191 N CA 0.682 53.418 53.050 -0.523 0.000 0.704 191 N CB -0.930 37.256 38.487 -0.502 0.000 0.968 191 N HN 0.330 nan 8.380 nan 0.000 0.547 192 A N 0.302 123.059 122.820 -0.106 0.000 2.978 192 A HA 0.492 4.811 4.320 -0.001 0.000 0.341 192 A C -0.896 176.642 177.584 -0.078 0.000 1.105 192 A CA -0.693 51.310 52.037 -0.057 0.000 0.819 192 A CB 0.928 19.922 19.000 -0.010 0.000 1.080 192 A HN 0.259 nan 8.150 nan 0.000 0.476 193 P HA -0.242 nan 4.420 nan 0.000 0.216 193 P C 1.468 178.665 177.300 -0.172 0.000 1.154 193 P CA 1.192 64.211 63.100 -0.135 0.000 0.865 193 P CB 0.149 31.772 31.700 -0.129 0.000 0.789 194 L N -0.936 120.203 121.223 -0.141 0.000 2.093 194 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 194 L C 2.882 179.702 176.870 -0.085 0.000 1.085 194 L CA 1.417 56.175 54.840 -0.136 0.000 0.755 194 L CB -1.183 40.827 42.059 -0.083 0.000 0.904 194 L HN -0.042 nan 8.230 nan 0.000 0.435 195 A N 0.597 123.382 122.820 -0.060 0.000 1.898 195 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 195 A C 2.440 180.022 177.584 -0.004 0.000 1.181 195 A CA 1.609 53.629 52.037 -0.028 0.000 0.620 195 A CB -1.257 17.717 19.000 -0.044 0.000 0.819 195 A HN 0.414 nan 8.150 nan 0.000 0.442 196 G N 0.282 109.059 108.800 -0.038 0.000 2.476 196 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.218 196 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.218 196 G C 1.520 176.427 174.900 0.011 0.000 1.164 196 G CA 1.322 46.414 45.100 -0.014 0.000 0.768 196 G HN 0.501 nan 8.290 nan 0.000 0.560 197 I N 0.197 120.721 120.570 -0.076 0.000 2.252 197 I HA -0.072 4.098 4.170 -0.001 0.000 0.245 197 I C 2.518 178.638 176.117 0.006 0.000 1.102 197 I CA 0.355 61.606 61.300 -0.082 0.000 1.385 197 I CB -0.192 37.661 38.000 -0.244 0.000 1.064 197 I HN 0.058 nan 8.210 nan 0.000 0.414 198 L N -0.188 121.052 121.223 0.029 0.000 2.141 198 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 198 L C 2.501 179.461 176.870 0.148 0.000 1.094 198 L CA 1.796 56.679 54.840 0.071 0.000 0.763 198 L CB -1.192 40.905 42.059 0.062 0.000 0.908 198 L HN 0.219 nan 8.230 nan 0.000 0.437 199 F N 0.875 120.815 119.950 -0.018 0.000 2.069 199 F HA -0.249 4.278 4.527 -0.001 0.000 0.298 199 F C 2.380 178.165 175.800 -0.025 0.000 1.113 199 F CA 1.262 59.261 58.000 -0.002 0.000 1.214 199 F CB -0.346 38.642 39.000 -0.021 0.000 0.978 199 F HN -0.033 nan 8.300 nan 0.000 0.474 200 I N 1.015 121.580 120.570 -0.008 0.000 2.163 200 I HA -0.261 3.909 4.170 -0.001 0.000 0.243 200 I C 2.352 178.397 176.117 -0.119 0.000 1.085 200 I CA 1.547 62.769 61.300 -0.130 0.000 1.347 200 I CB -1.022 36.939 38.000 -0.065 0.000 1.044 200 I HN 0.324 nan 8.210 nan 0.000 0.408 201 I N -2.355 118.184 120.570 -0.051 0.000 3.749 201 I HA 0.063 4.233 4.170 -0.001 0.000 0.314 201 I C 1.615 177.699 176.117 -0.054 0.000 1.267 201 I CA 0.872 62.140 61.300 -0.053 0.000 1.169 201 I CB -0.281 37.711 38.000 -0.014 0.000 1.009 201 I HN 0.354 nan 8.210 nan 0.000 0.444 202 E N 0.878 121.043 120.200 -0.058 0.000 2.489 202 E HA -0.063 4.287 4.350 -0.001 0.000 0.208 202 E C 1.478 178.028 176.600 -0.084 0.000 0.814 202 E CA 0.279 56.653 56.400 -0.043 0.000 1.348 202 E CB 0.500 30.216 29.700 0.027 0.000 1.334 202 E HN 0.449 nan 8.360 nan 0.000 0.672 203 E N -0.171 119.932 120.200 -0.161 0.000 2.756 203 E HA 0.102 4.451 4.350 -0.001 0.000 0.192 203 E C 1.936 178.330 176.600 -0.344 0.000 1.022 203 E CA 0.570 56.830 56.400 -0.235 0.000 1.224 203 E CB -0.100 29.435 29.700 -0.276 0.000 1.252 203 E HN 0.020 nan 8.360 nan 0.000 0.494 204 M N 1.904 121.176 119.600 -0.545 0.000 2.082 204 M HA -0.097 4.383 4.480 -0.001 0.000 0.258 204 M C 1.048 177.183 176.300 -0.275 0.000 1.071 204 M CA 1.405 56.437 55.300 -0.446 0.000 1.103 204 M CB -1.606 30.718 32.600 -0.461 0.000 1.307 204 M HN 0.117 nan 8.290 nan 0.000 0.409 205 R N 1.444 121.799 120.500 -0.242 0.000 2.740 205 R HA 0.033 4.373 4.340 -0.001 0.000 0.263 205 R C -2.523 173.660 176.300 -0.195 0.000 0.997 205 R CA -0.907 55.068 56.100 -0.209 0.000 1.108 205 R CB -1.460 28.728 30.300 -0.187 0.000 0.969 205 R HN 0.039 nan 8.270 nan 0.000 0.431 206 P HA -0.049 nan 4.420 nan 0.000 0.260 206 P C -0.443 176.756 177.300 -0.168 0.000 1.185 206 P CA 0.262 63.290 63.100 -0.120 0.000 0.763 206 P CB 0.788 32.425 31.700 -0.106 0.000 0.776 207 Q N 2.198 121.839 119.800 -0.265 0.000 2.432 207 Q HA 0.082 4.422 4.340 -0.001 0.000 0.205 207 Q C 0.253 175.712 176.000 -0.903 0.000 0.945 207 Q CA 1.363 56.770 55.803 -0.661 0.000 0.924 207 Q CB -0.145 28.003 28.738 -0.983 0.000 1.016 207 Q HN 0.472 nan 8.270 nan 0.000 0.503 208 F N -1.161 118.782 119.950 -0.011 0.000 2.746 208 F HA 0.324 4.851 4.527 -0.001 0.000 0.320 208 F C 0.229 176.044 175.800 0.024 0.000 1.097 208 F CA -0.579 57.426 58.000 0.008 0.000 1.195 208 F CB 0.503 39.508 39.000 0.009 0.000 1.056 208 F HN -0.151 nan 8.300 nan 0.000 0.562 209 R N -1.695 118.893 120.500 0.145 0.000 2.774 209 R HA 0.418 4.757 4.340 -0.001 0.000 0.272 209 R C -1.147 175.221 176.300 0.114 0.000 1.000 209 R CA -0.938 55.247 56.100 0.142 0.000 0.906 209 R CB 0.918 31.307 30.300 0.148 0.000 1.227 209 R HN -0.054 nan 8.270 nan 0.000 0.468 210 Y N 1.069 121.392 120.300 0.038 0.000 2.546 210 Y HA 0.172 4.721 4.550 -0.001 0.000 0.351 210 Y C -0.570 175.354 175.900 0.040 0.000 1.266 210 Y CA 1.363 59.480 58.100 0.029 0.000 1.487 210 Y CB 0.902 39.382 38.460 0.033 0.000 1.365 210 Y HN 0.739 nan 8.280 nan 0.000 0.642 211 T N 4.757 118.876 114.554 -0.724 0.000 2.894 211 T HA 0.321 4.671 4.350 -0.001 0.000 0.309 211 T C -0.962 173.483 174.700 -0.424 0.000 1.208 211 T CA -0.794 61.102 62.100 -0.340 0.000 1.016 211 T CB 1.165 69.884 68.868 -0.248 0.000 1.192 211 T HN 0.403 nan 8.240 nan 0.000 0.491 212 L N 1.929 123.144 121.223 -0.012 0.000 2.990 212 L HA 0.435 4.775 4.340 -0.001 0.000 0.231 212 L C -0.227 176.660 176.870 0.028 0.000 1.341 212 L CA 0.298 55.160 54.840 0.036 0.000 1.208 212 L CB -0.969 41.151 42.059 0.103 0.000 1.571 212 L HN 0.485 nan 8.230 nan 0.000 0.453 213 I N -0.635 119.905 120.570 -0.049 0.000 2.331 213 I HA 0.187 4.356 4.170 -0.001 0.000 0.292 213 I C 0.705 176.812 176.117 -0.017 0.000 0.998 213 I CA -0.216 61.072 61.300 -0.020 0.000 1.267 213 I CB 1.518 39.481 38.000 -0.061 0.000 1.386 213 I HN 0.146 nan 8.210 nan 0.000 0.476 214 S N 6.358 122.066 115.700 0.013 0.000 2.399 214 S HA 0.349 4.818 4.470 -0.001 0.000 0.301 214 S C 1.248 175.870 174.600 0.037 0.000 1.093 214 S CA -0.602 57.611 58.200 0.022 0.000 1.077 214 S CB 0.254 63.471 63.200 0.027 0.000 0.980 214 S HN 0.533 nan 8.310 nan 0.000 0.494 215 I N 4.733 125.328 120.570 0.042 0.000 2.151 215 I HA -0.215 3.955 4.170 -0.001 0.000 0.243 215 I C 2.608 178.813 176.117 0.147 0.000 1.080 215 I CA 1.324 62.683 61.300 0.099 0.000 1.339 215 I CB -0.265 37.790 38.000 0.091 0.000 1.039 215 I HN 0.661 nan 8.210 nan 0.000 0.409 216 K N 1.108 121.536 120.400 0.046 0.000 2.160 216 K HA -0.224 4.096 4.320 -0.001 0.000 0.206 216 K C 2.083 178.732 176.600 0.083 0.000 1.047 216 K CA 1.583 57.873 56.287 0.005 0.000 0.930 216 K CB -0.062 32.410 32.500 -0.047 0.000 0.720 216 K HN 0.365 nan 8.250 nan 0.000 0.450 217 A N 0.187 123.049 122.820 0.070 0.000 1.930 217 A HA -0.030 4.290 4.320 -0.001 0.000 0.215 217 A C 2.143 179.770 177.584 0.072 0.000 1.176 217 A CA 0.986 53.057 52.037 0.057 0.000 0.632 217 A CB -0.287 18.732 19.000 0.032 0.000 0.819 217 A HN 0.138 nan 8.150 nan 0.000 0.445 218 V N -1.063 118.906 119.914 0.091 0.000 2.295 218 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 218 V C 2.236 178.382 176.094 0.086 0.000 1.049 218 V CA 2.100 64.439 62.300 0.065 0.000 1.024 218 V CB -1.019 30.839 31.823 0.057 0.000 0.648 218 V HN 0.535 nan 8.190 nan 0.000 0.447 219 F N 0.171 120.111 119.950 -0.016 0.000 2.043 219 F HA -0.264 4.262 4.527 -0.001 0.000 0.297 219 F C 2.259 178.048 175.800 -0.018 0.000 1.118 219 F CA 2.259 60.251 58.000 -0.013 0.000 1.202 219 F CB -0.475 38.519 39.000 -0.010 0.000 0.965 219 F HN 0.033 nan 8.300 nan 0.000 0.482 220 I N -0.550 120.145 120.570 0.208 0.000 2.194 220 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 220 I C 2.681 178.812 176.117 0.025 0.000 1.093 220 I CA 1.578 62.934 61.300 0.094 0.000 1.355 220 I CB -1.326 36.704 38.000 0.051 0.000 1.046 220 I HN 0.277 nan 8.210 nan 0.000 0.413 221 G N 0.516 109.318 108.800 0.004 0.000 2.404 221 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.215 221 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.215 221 G C 1.703 176.579 174.900 -0.041 0.000 1.174 221 G CA 0.886 45.966 45.100 -0.034 0.000 0.780 221 G HN 0.239 nan 8.290 nan 0.000 0.537 222 V N 1.354 121.236 119.914 -0.053 0.000 2.233 222 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 222 V C 2.778 178.835 176.094 -0.061 0.000 1.050 222 V CA 1.796 64.044 62.300 -0.086 0.000 1.010 222 V CB -0.579 31.145 31.823 -0.166 0.000 0.637 222 V HN 0.386 nan 8.190 nan 0.000 0.444 223 I N -0.698 119.847 120.570 -0.042 0.000 2.113 223 I HA -0.346 3.823 4.170 -0.001 0.000 0.242 223 I C 2.652 178.772 176.117 0.004 0.000 1.064 223 I CA 1.766 63.064 61.300 -0.005 0.000 1.320 223 I CB -0.377 37.648 38.000 0.042 0.000 1.028 223 I HN 0.284 nan 8.210 nan 0.000 0.406 224 M N 0.341 119.939 119.600 -0.003 0.000 2.149 224 M HA -0.174 4.305 4.480 -0.001 0.000 0.261 224 M C 2.641 178.943 176.300 0.002 0.000 1.064 224 M CA 2.246 57.542 55.300 -0.007 0.000 1.102 224 M CB -1.511 31.068 32.600 -0.036 0.000 1.369 224 M HN 0.428 nan 8.290 nan 0.000 0.408 225 S N -1.375 114.320 115.700 -0.008 0.000 2.414 225 S HA -0.056 4.414 4.470 -0.001 0.000 0.227 225 S C 1.905 176.536 174.600 0.052 0.000 1.022 225 S CA 1.387 59.591 58.200 0.007 0.000 0.958 225 S CB -0.782 62.404 63.200 -0.024 0.000 0.797 225 S HN 0.411 nan 8.310 nan 0.000 0.493 226 T N 2.933 117.506 114.554 0.031 0.000 2.746 226 T HA 0.124 4.473 4.350 -0.001 0.000 0.267 226 T C 1.682 176.460 174.700 0.130 0.000 1.039 226 T CA 1.482 63.620 62.100 0.063 0.000 1.142 226 T CB -0.470 68.404 68.868 0.009 0.000 0.866 226 T HN 0.390 nan 8.240 nan 0.000 0.444 227 I N 0.724 121.344 120.570 0.083 0.000 2.286 227 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 227 I C 2.438 178.617 176.117 0.103 0.000 1.115 227 I CA 0.903 62.248 61.300 0.076 0.000 1.392 227 I CB -0.288 37.739 38.000 0.044 0.000 1.065 227 I HN 0.221 nan 8.210 nan 0.000 0.418 228 M N -0.532 119.143 119.600 0.124 0.000 2.175 228 M HA -0.228 4.252 4.480 -0.001 0.000 0.264 228 M C 2.426 178.875 176.300 0.248 0.000 1.063 228 M CA 1.833 57.239 55.300 0.178 0.000 1.119 228 M CB -1.263 31.394 32.600 0.095 0.000 1.377 228 M HN 0.253 nan 8.290 nan 0.000 0.415 229 Y N 1.658 122.007 120.300 0.082 0.000 2.114 229 Y HA -0.195 4.354 4.550 -0.001 0.000 0.284 229 Y C 2.419 178.389 175.900 0.117 0.000 1.143 229 Y CA 1.795 59.945 58.100 0.084 0.000 1.135 229 Y CB -0.162 38.319 38.460 0.036 0.000 0.980 229 Y HN 0.088 nan 8.280 nan 0.000 0.499 230 R N 0.513 121.094 120.500 0.135 0.000 2.127 230 R HA -0.136 4.203 4.340 -0.001 0.000 0.238 230 R C 2.184 178.326 176.300 -0.263 0.000 1.134 230 R CA 1.604 57.698 56.100 -0.009 0.000 0.975 230 R CB -1.021 29.322 30.300 0.071 0.000 0.865 230 R HN 0.500 nan 8.270 nan 0.000 0.447 231 I N -0.109 120.350 120.570 -0.185 0.000 3.176 231 I HA -0.156 4.014 4.170 -0.001 0.000 0.275 231 I C 0.778 176.423 176.117 -0.786 0.000 1.298 231 I CA 1.044 62.054 61.300 -0.482 0.000 1.445 231 I CB -0.057 37.742 38.000 -0.334 0.000 1.075 231 I HN -0.008 nan 8.210 nan 0.000 0.482 232 F N -0.878 118.850 119.950 -0.370 0.000 2.831 232 F HA 0.207 4.734 4.527 -0.000 0.000 0.334 232 F C 1.458 177.120 175.800 -0.231 0.000 1.071 232 F CA -0.127 57.719 58.000 -0.256 0.000 1.172 232 F CB 0.033 38.923 39.000 -0.184 0.000 1.054 232 F HN -0.042 nan 8.300 nan 0.000 0.572 233 N N -0.676 117.906 118.700 -0.197 0.000 2.143 233 N HA 0.027 4.767 4.740 -0.001 0.000 0.222 233 N C 0.142 175.678 175.510 0.043 0.000 1.264 233 N CA -0.088 52.848 53.050 -0.191 0.000 0.897 233 N CB -0.124 37.927 38.487 -0.726 0.000 1.092 233 N HN 0.451 nan 8.380 nan 0.000 0.516 234 H N 1.160 120.167 119.070 -0.105 0.000 3.044 234 H HA 0.010 4.565 4.556 -0.001 0.000 0.356 234 H C -0.049 175.268 175.328 -0.018 0.000 1.134 234 H CA 0.017 56.046 56.048 -0.032 0.000 1.387 234 H CB 0.503 30.247 29.762 -0.032 0.000 1.325 234 H HN -0.141 nan 8.280 nan 0.000 0.609 235 E N -0.882 119.339 120.200 0.035 0.000 3.628 235 E HA -0.161 4.188 4.350 -0.001 0.000 0.309 235 E C -1.088 175.509 176.600 -0.006 0.000 0.839 235 E CA 0.981 57.351 56.400 -0.050 0.000 1.123 235 E CB -1.736 27.850 29.700 -0.190 0.000 1.568 235 E HN 0.496 nan 8.360 nan 0.000 0.440 236 V N -0.404 119.535 119.914 0.041 0.000 2.614 236 V HA 0.635 4.755 4.120 -0.001 0.000 0.281 236 V C 0.321 176.461 176.094 0.076 0.000 1.031 236 V CA -0.474 61.854 62.300 0.047 0.000 0.899 236 V CB 1.638 33.488 31.823 0.046 0.000 1.037 236 V HN 0.302 nan 8.190 nan 0.000 0.456 237 A N 3.801 126.656 122.820 0.058 0.000 2.425 237 A HA 0.609 4.928 4.320 -0.001 0.000 0.242 237 A C 1.152 178.757 177.584 0.035 0.000 1.077 237 A CA -0.078 51.992 52.037 0.055 0.000 0.781 237 A CB 0.417 19.430 19.000 0.022 0.000 1.020 237 A HN 0.867 nan 8.150 nan 0.000 0.494 238 L N 0.555 121.779 121.223 0.002 0.000 2.072 238 L HA 0.050 4.389 4.340 -0.001 0.000 0.205 238 L C 0.175 176.942 176.870 -0.172 0.000 1.079 238 L CA 1.169 55.952 54.840 -0.096 0.000 0.752 238 L CB -0.212 41.706 42.059 -0.236 0.000 0.906 238 L HN 0.586 nan 8.230 nan 0.000 0.436 239 I N -0.244 120.234 120.570 -0.153 0.000 2.493 239 I HA 0.157 4.327 4.170 -0.001 0.000 0.279 239 I C -1.079 175.007 176.117 -0.051 0.000 1.045 239 I CA -0.469 60.763 61.300 -0.114 0.000 1.106 239 I CB 1.769 39.672 38.000 -0.162 0.000 1.216 239 I HN -0.132 nan 8.210 nan 0.000 0.459 240 D N 6.005 126.393 120.400 -0.021 0.000 2.396 240 D HA 0.256 4.895 4.640 -0.001 0.000 0.225 240 D C 0.382 176.679 176.300 -0.004 0.000 1.121 240 D CA -0.092 53.903 54.000 -0.009 0.000 0.853 240 D CB 1.959 42.760 40.800 0.001 0.000 1.043 240 D HN 0.217 nan 8.370 nan 0.000 0.500 241 V N 2.832 122.743 119.914 -0.006 0.000 3.578 241 V HA 0.297 4.416 4.120 -0.001 0.000 0.290 241 V C 1.277 177.372 176.094 0.001 0.000 1.376 241 V CA 0.520 62.819 62.300 -0.000 0.000 1.083 241 V CB -0.417 31.405 31.823 -0.001 0.000 0.911 241 V HN 0.870 nan 8.190 nan 0.000 0.433 242 G N 1.702 110.502 108.800 -0.000 0.000 2.877 242 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.279 242 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.279 242 G C -0.315 174.586 174.900 0.001 0.000 1.431 242 G CA 0.052 45.153 45.100 0.001 0.000 0.883 242 G HN 0.509 nan 8.290 nan 0.000 0.547 243 K N 0.476 120.877 120.400 0.002 0.000 2.285 243 K HA 0.555 4.874 4.320 -0.001 0.000 0.286 243 K C 0.880 177.481 176.600 0.002 0.000 1.072 243 K CA -0.563 55.724 56.287 0.001 0.000 0.913 243 K CB 0.229 32.731 32.500 0.003 0.000 1.067 243 K HN 0.471 nan 8.250 nan 0.000 0.479 244 L N 2.300 123.521 121.223 -0.003 0.000 2.490 244 L HA 0.277 4.616 4.340 -0.001 0.000 0.245 244 L C 0.956 177.824 176.870 -0.003 0.000 1.185 244 L CA -0.222 54.619 54.840 0.001 0.000 0.813 244 L CB 0.966 43.023 42.059 -0.004 0.000 1.233 244 L HN 0.957 nan 8.230 nan 0.000 0.489 245 S N -0.489 115.216 115.700 0.009 0.000 2.626 245 S HA 0.109 4.578 4.470 -0.001 0.000 0.257 245 S C -0.183 174.403 174.600 -0.023 0.000 1.288 245 S CA -0.515 57.690 58.200 0.009 0.000 0.980 245 S CB 1.048 64.272 63.200 0.041 0.000 0.975 245 S HN 0.522 nan 8.310 nan 0.000 0.577 246 D N 0.043 120.427 120.400 -0.028 0.000 2.529 246 D HA 0.712 5.352 4.640 -0.001 0.000 0.273 246 D C -0.690 175.566 176.300 -0.074 0.000 1.197 246 D CA -0.004 53.956 54.000 -0.066 0.000 1.070 246 D CB 1.028 41.793 40.800 -0.057 0.000 1.134 246 D HN 0.843 nan 8.370 nan 0.000 0.590 247 A N 0.725 123.472 122.820 -0.121 0.000 2.375 247 A HA 0.583 4.902 4.320 -0.001 0.000 0.291 247 A C -2.543 174.973 177.584 -0.113 0.000 1.160 247 A CA -1.193 50.766 52.037 -0.130 0.000 0.747 247 A CB 0.658 19.486 19.000 -0.286 0.000 1.170 247 A HN 0.282 nan 8.150 nan 0.000 0.458 248 P HA 0.192 nan 4.420 nan 0.000 0.269 248 P C 0.988 178.241 177.300 -0.079 0.000 1.215 248 P CA -0.389 62.672 63.100 -0.066 0.000 0.780 248 P CB 0.623 32.294 31.700 -0.049 0.000 0.898 249 L N 1.258 122.446 121.223 -0.058 0.000 2.131 249 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 249 L C 1.801 178.664 176.870 -0.011 0.000 1.092 249 L CA 1.300 56.116 54.840 -0.039 0.000 0.759 249 L CB -0.738 41.305 42.059 -0.027 0.000 0.903 249 L HN 0.523 nan 8.230 nan 0.000 0.435 250 N N -1.588 117.086 118.700 -0.043 0.000 2.515 250 N HA -0.093 4.646 4.740 -0.001 0.000 0.191 250 N C 1.073 176.495 175.510 -0.147 0.000 1.182 250 N CA 0.759 53.782 53.050 -0.044 0.000 0.879 250 N CB -0.088 38.385 38.487 -0.023 0.000 0.984 250 N HN 0.062 nan 8.380 nan 0.000 0.453 251 T N 0.144 114.608 114.554 -0.150 0.000 2.985 251 T HA 0.325 4.674 4.350 -0.001 0.000 0.254 251 T C 1.669 176.419 174.700 0.085 0.000 1.021 251 T CA -0.345 61.631 62.100 -0.205 0.000 0.957 251 T CB 0.335 69.104 68.868 -0.165 0.000 1.047 251 T HN 0.067 nan 8.240 nan 0.000 0.511 252 L N 1.284 122.599 121.223 0.153 0.000 2.042 252 L HA -0.083 4.256 4.340 -0.001 0.000 0.210 252 L C 2.799 179.820 176.870 0.250 0.000 1.076 252 L CA 1.415 56.370 54.840 0.191 0.000 0.749 252 L CB -0.576 41.529 42.059 0.076 0.000 0.893 252 L HN 0.558 nan 8.230 nan 0.000 0.432 253 W N 0.563 121.910 121.300 0.079 0.000 2.350 253 W HA -0.195 4.465 4.660 -0.001 0.000 0.289 253 W C 1.742 178.339 176.519 0.130 0.000 1.215 253 W CA 0.711 58.105 57.345 0.082 0.000 1.236 253 W CB -1.319 28.168 29.460 0.045 0.000 1.130 253 W HN 0.172 nan 8.180 nan 0.000 0.541 254 L N -0.100 120.649 121.223 -0.790 0.000 2.083 254 L HA -0.240 4.099 4.340 -0.001 0.000 0.209 254 L C 2.617 179.387 176.870 -0.165 0.000 1.083 254 L CA 1.688 56.134 54.840 -0.657 0.000 0.752 254 L CB -1.077 40.639 42.059 -0.572 0.000 0.899 254 L HN -0.119 nan 8.230 nan 0.000 0.433 255 Y N -0.865 119.424 120.300 -0.019 0.000 2.439 255 Y HA -0.200 4.350 4.550 -0.001 0.000 0.292 255 Y C 2.193 178.031 175.900 -0.103 0.000 1.130 255 Y CA 0.583 58.644 58.100 -0.065 0.000 1.254 255 Y CB -0.222 38.156 38.460 -0.136 0.000 1.000 255 Y HN 0.087 nan 8.280 nan 0.000 0.554 256 L N 0.114 121.388 121.223 0.085 0.000 2.027 256 L HA -0.148 4.192 4.340 -0.001 0.000 0.206 256 L C 2.058 178.942 176.870 0.023 0.000 1.074 256 L CA 1.575 56.459 54.840 0.072 0.000 0.745 256 L CB -0.852 41.287 42.059 0.133 0.000 0.898 256 L HN 0.199 nan 8.230 nan 0.000 0.433 257 I N -0.841 119.735 120.570 0.010 0.000 2.151 257 I HA -0.321 3.849 4.170 -0.001 0.000 0.243 257 I C 2.383 178.397 176.117 -0.173 0.000 1.080 257 I CA 1.476 62.781 61.300 0.008 0.000 1.339 257 I CB -0.386 37.678 38.000 0.106 0.000 1.039 257 I HN 0.352 nan 8.210 nan 0.000 0.409 258 L N 1.008 121.907 121.223 -0.540 0.000 2.127 258 L HA -0.112 4.227 4.340 -0.001 0.000 0.211 258 L C 2.179 178.955 176.870 -0.158 0.000 1.089 258 L CA 2.154 56.510 54.840 -0.806 0.000 0.757 258 L CB -1.107 40.278 42.059 -1.125 0.000 0.899 258 L HN 0.192 nan 8.230 nan 0.000 0.434 259 G N -0.746 108.011 108.800 -0.073 0.000 2.430 259 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.216 259 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.216 259 G C 1.612 176.552 174.900 0.068 0.000 1.146 259 G CA 0.739 45.857 45.100 0.030 0.000 0.793 259 G HN 0.458 nan 8.290 nan 0.000 0.537 260 I N 0.413 121.005 120.570 0.037 0.000 2.315 260 I HA -0.086 4.083 4.170 -0.001 0.000 0.248 260 I C 2.528 178.678 176.117 0.055 0.000 1.117 260 I CA 0.695 62.031 61.300 0.060 0.000 1.404 260 I CB -0.090 37.952 38.000 0.069 0.000 1.071 260 I HN 0.159 nan 8.210 nan 0.000 0.419 261 I N -0.165 120.411 120.570 0.009 0.000 2.233 261 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 261 I C 2.281 178.383 176.117 -0.025 0.000 1.093 261 I CA 1.525 62.800 61.300 -0.043 0.000 1.380 261 I CB -0.335 37.573 38.000 -0.154 0.000 1.067 261 I HN 0.039 nan 8.210 nan 0.000 0.413 262 F N 1.059 120.981 119.950 -0.046 0.000 2.269 262 F HA -0.146 4.380 4.527 -0.001 0.000 0.301 262 F C 2.442 178.265 175.800 0.038 0.000 1.082 262 F CA 1.511 59.517 58.000 0.011 0.000 1.360 262 F CB -0.637 38.333 39.000 -0.050 0.000 1.041 262 F HN 0.040 nan 8.300 nan 0.000 0.512 263 G N 0.152 109.061 108.800 0.181 0.000 2.448 263 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.218 263 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.218 263 G C 1.596 176.541 174.900 0.075 0.000 1.135 263 G CA 0.908 46.067 45.100 0.099 0.000 0.784 263 G HN 0.535 nan 8.290 nan 0.000 0.543 264 I N -3.646 116.977 120.570 0.088 0.000 2.852 264 I HA 0.340 4.510 4.170 -0.001 0.000 0.264 264 I C 2.278 178.439 176.117 0.073 0.000 1.179 264 I CA 0.303 61.647 61.300 0.073 0.000 1.480 264 I CB -0.136 37.911 38.000 0.079 0.000 1.111 264 I HN -0.005 nan 8.210 nan 0.000 0.441 265 F N 2.822 122.731 119.950 -0.070 0.000 2.367 265 F HA 0.302 4.828 4.527 -0.001 0.000 0.298 265 F C 2.196 177.939 175.800 -0.096 0.000 1.094 265 F CA 0.776 58.707 58.000 -0.115 0.000 1.409 265 F CB -0.443 38.465 39.000 -0.152 0.000 1.064 265 F HN 0.067 nan 8.300 nan 0.000 0.528 266 G N 1.237 109.999 108.800 -0.064 0.000 2.545 266 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 266 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 266 G C -0.608 174.170 174.900 -0.203 0.000 1.218 266 G CA 1.053 46.088 45.100 -0.109 0.000 0.787 266 G HN 0.275 nan 8.290 nan 0.000 0.571 267 P HA -0.083 nan 4.420 nan 0.000 0.214 267 P C 2.010 179.134 177.300 -0.292 0.000 1.163 267 P CA 0.909 63.911 63.100 -0.164 0.000 0.889 267 P CB -0.113 31.530 31.700 -0.096 0.000 0.790 268 I N -2.011 118.319 120.570 -0.400 0.000 2.151 268 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 268 I C 2.264 177.700 176.117 -1.134 0.000 1.080 268 I CA 1.624 62.527 61.300 -0.662 0.000 1.339 268 I CB -0.720 36.891 38.000 -0.647 0.000 1.039 268 I HN -0.114 nan 8.210 nan 0.000 0.409 269 F N 1.866 121.018 119.950 -1.330 0.000 2.269 269 F HA -0.194 4.332 4.527 -0.001 0.000 0.301 269 F C 2.063 177.555 175.800 -0.513 0.000 1.082 269 F CA 1.689 59.002 58.000 -1.143 0.000 1.360 269 F CB -0.611 37.737 39.000 -1.086 0.000 1.041 269 F HN 0.100 nan 8.300 nan 0.000 0.512 270 N N -0.060 118.379 118.700 -0.435 0.000 2.135 270 N HA -0.164 4.576 4.740 -0.001 0.000 0.186 270 N C 1.739 177.115 175.510 -0.224 0.000 1.027 270 N CA 1.073 53.954 53.050 -0.281 0.000 0.849 270 N CB -0.076 38.319 38.487 -0.154 0.000 1.002 270 N HN 0.255 nan 8.380 nan 0.000 0.425 271 K N 0.297 120.569 120.400 -0.214 0.000 2.044 271 K HA -0.173 4.146 4.320 -0.001 0.000 0.210 271 K C 1.703 178.343 176.600 0.068 0.000 1.049 271 K CA 1.297 57.547 56.287 -0.061 0.000 0.927 271 K CB -0.158 32.325 32.500 -0.028 0.000 0.713 271 K HN 0.318 nan 8.250 nan 0.000 0.443 272 W N 0.372 121.543 121.300 -0.216 0.000 2.358 272 W HA -0.116 4.544 4.660 -0.001 0.000 0.303 272 W C 2.197 178.572 176.519 -0.240 0.000 1.208 272 W CA 0.094 57.307 57.345 -0.220 0.000 1.274 272 W CB -1.303 28.000 29.460 -0.262 0.000 1.138 272 W HN -0.067 nan 8.180 nan 0.000 0.515 273 V N 0.792 120.628 119.914 -0.129 0.000 2.358 273 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 273 V C 2.045 178.151 176.094 0.021 0.000 1.047 273 V CA 1.713 63.964 62.300 -0.081 0.000 1.035 273 V CB -0.429 31.313 31.823 -0.135 0.000 0.658 273 V HN 0.079 nan 8.190 nan 0.000 0.452 274 L N 0.242 121.469 121.223 0.006 0.000 2.044 274 L HA 0.046 4.385 4.340 -0.001 0.000 0.205 274 L C 2.759 179.641 176.870 0.020 0.000 1.075 274 L CA 1.649 56.502 54.840 0.021 0.000 0.747 274 L CB -1.420 40.647 42.059 0.013 0.000 0.903 274 L HN 0.463 nan 8.230 nan 0.000 0.435 275 G N -0.172 108.647 108.800 0.032 0.000 2.440 275 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.218 275 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.218 275 G C 1.533 176.437 174.900 0.006 0.000 1.154 275 G CA 0.829 45.945 45.100 0.027 0.000 0.767 275 G HN 0.171 nan 8.290 nan 0.000 0.552 276 M N 0.227 119.834 119.600 0.012 0.000 2.460 276 M HA 0.117 4.596 4.480 -0.001 0.000 0.263 276 M C 2.378 178.680 176.300 0.004 0.000 1.071 276 M CA 1.003 56.302 55.300 -0.002 0.000 1.096 276 M CB -0.204 32.403 32.600 0.011 0.000 1.408 276 M HN 0.313 nan 8.290 nan 0.000 0.463 277 Q N -0.431 119.375 119.800 0.010 0.000 2.083 277 Q HA -0.151 4.189 4.340 -0.001 0.000 0.198 277 Q C 1.336 177.333 176.000 -0.005 0.000 0.969 277 Q CA 1.479 57.286 55.803 0.008 0.000 0.838 277 Q CB 0.103 28.840 28.738 -0.001 0.000 0.900 277 Q HN 0.519 nan 8.270 nan 0.000 0.436 278 D N 0.656 121.048 120.400 -0.014 0.000 2.084 278 D HA -0.160 4.479 4.640 -0.001 0.000 0.199 278 D C 1.904 178.187 176.300 -0.030 0.000 0.981 278 D CA 0.661 54.653 54.000 -0.014 0.000 0.841 278 D CB -0.416 40.375 40.800 -0.014 0.000 0.997 278 D HN 0.180 nan 8.370 nan 0.000 0.454 279 L N 0.641 121.838 121.223 -0.044 0.000 2.137 279 L HA -0.188 4.151 4.340 -0.001 0.000 0.213 279 L C 2.282 179.081 176.870 -0.118 0.000 1.085 279 L CA 0.933 55.730 54.840 -0.072 0.000 0.760 279 L CB -0.051 41.971 42.059 -0.062 0.000 0.893 279 L HN 0.038 nan 8.230 nan 0.000 0.434 280 L N -1.879 119.277 121.223 -0.111 0.000 2.341 280 L HA -0.158 4.181 4.340 -0.001 0.000 0.214 280 L C 2.261 178.861 176.870 -0.450 0.000 1.115 280 L CA 0.283 55.016 54.840 -0.180 0.000 0.820 280 L CB -0.366 41.664 42.059 -0.049 0.000 0.944 280 L HN 0.310 nan 8.230 nan 0.000 0.452 281 H N 0.490 119.277 119.070 -0.471 0.000 2.457 281 H HA -0.063 4.493 4.556 -0.001 0.000 0.294 281 H C 2.292 177.169 175.328 -0.752 0.000 1.064 281 H CA 1.382 57.025 56.048 -0.675 0.000 1.330 281 H CB 0.236 29.837 29.762 -0.268 0.000 1.395 281 H HN 0.102 nan 8.280 nan 0.000 0.541 282 R N -0.627 119.596 120.500 -0.462 0.000 2.073 282 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 282 R C 2.277 178.311 176.300 -0.444 0.000 1.134 282 R CA 1.418 57.294 56.100 -0.374 0.000 0.952 282 R CB -0.437 29.738 30.300 -0.209 0.000 0.850 282 R HN 0.172 nan 8.270 nan 0.000 0.433 283 V N 1.357 120.984 119.914 -0.478 0.000 2.527 283 V HA -0.251 3.868 4.120 -0.001 0.000 0.255 283 V C 1.513 177.406 176.094 -0.336 0.000 1.081 283 V CA 2.333 64.419 62.300 -0.355 0.000 1.092 283 V CB -0.778 30.881 31.823 -0.274 0.000 0.673 283 V HN 0.607 nan 8.190 nan 0.000 0.470 284 H N -2.766 116.109 119.070 -0.326 0.000 3.233 284 H HA 0.472 5.027 4.556 -0.001 0.000 0.263 284 H C 1.546 176.681 175.328 -0.322 0.000 1.168 284 H CA 0.045 55.919 56.048 -0.291 0.000 1.159 284 H CB -0.261 29.306 29.762 -0.325 0.000 1.593 284 H HN 0.192 nan 8.280 nan 0.000 0.580 285 G N 0.707 109.221 108.800 -0.478 0.000 2.280 285 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.282 285 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.282 285 G C 1.390 176.096 174.900 -0.322 0.000 1.000 285 G CA 1.254 46.102 45.100 -0.420 0.000 0.751 285 G HN 1.643 nan 8.290 nan 0.000 0.515 286 G N -1.234 107.481 108.800 -0.142 0.000 2.195 286 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.224 286 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.224 286 G C 0.183 175.275 174.900 0.320 0.000 0.990 286 G CA 0.670 45.893 45.100 0.206 0.000 0.639 286 G HN 1.689 nan 8.290 nan 0.000 0.514 287 N N 0.901 119.718 118.700 0.196 0.000 2.438 287 N HA 0.322 5.062 4.740 -0.001 0.000 0.267 287 N C 1.589 177.235 175.510 0.227 0.000 1.222 287 N CA 0.377 53.528 53.050 0.167 0.000 0.930 287 N CB 0.239 38.783 38.487 0.095 0.000 1.083 287 N HN 0.323 nan 8.380 nan 0.000 0.476 288 I N 2.599 123.286 120.570 0.195 0.000 2.399 288 I HA -0.319 3.851 4.170 -0.001 0.000 0.254 288 I C 1.036 177.241 176.117 0.146 0.000 1.146 288 I CA 1.335 62.739 61.300 0.175 0.000 1.412 288 I CB 0.076 38.149 38.000 0.121 0.000 1.076 288 I HN 0.604 nan 8.210 nan 0.000 0.432 289 T N 0.172 114.787 114.554 0.100 0.000 2.937 289 T HA -0.057 4.292 4.350 -0.001 0.000 0.260 289 T C 1.748 176.489 174.700 0.069 0.000 1.051 289 T CA 0.838 62.969 62.100 0.051 0.000 1.141 289 T CB 0.049 68.928 68.868 0.017 0.000 0.879 289 T HN 0.332 nan 8.240 nan 0.000 0.459 290 K N -0.091 120.368 120.400 0.099 0.000 2.296 290 K HA 0.000 4.320 4.320 -0.001 0.000 0.200 290 K C 1.873 178.556 176.600 0.138 0.000 1.048 290 K CA 0.391 56.736 56.287 0.096 0.000 0.966 290 K CB 0.082 32.637 32.500 0.091 0.000 0.754 290 K HN 0.308 nan 8.250 nan 0.000 0.466 291 W N 1.060 122.315 121.300 -0.074 0.000 2.452 291 W HA -0.082 4.578 4.660 -0.001 0.000 0.313 291 W C 1.712 178.116 176.519 -0.191 0.000 1.176 291 W CA 0.661 57.858 57.345 -0.246 0.000 1.350 291 W CB -0.590 28.631 29.460 -0.398 0.000 1.148 291 W HN -0.271 nan 8.180 nan 0.000 0.498 292 V N 1.416 121.440 119.914 0.182 0.000 2.453 292 V HA -0.315 3.804 4.120 -0.001 0.000 0.252 292 V C 2.370 178.432 176.094 -0.053 0.000 1.068 292 V CA 1.757 64.084 62.300 0.045 0.000 1.070 292 V CB -0.940 30.913 31.823 0.049 0.000 0.664 292 V HN 0.116 nan 8.190 nan 0.000 0.461 293 L N -1.455 119.760 121.223 -0.013 0.000 2.179 293 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 293 L C 2.386 179.230 176.870 -0.043 0.000 1.096 293 L CA 1.358 56.187 54.840 -0.019 0.000 0.779 293 L CB -0.375 41.689 42.059 0.008 0.000 0.922 293 L HN 0.353 nan 8.230 nan 0.000 0.443 294 M N -0.097 119.476 119.600 -0.045 0.000 2.077 294 M HA -0.122 4.357 4.480 -0.001 0.000 0.261 294 M C 2.156 178.347 176.300 -0.181 0.000 1.070 294 M CA 2.200 57.469 55.300 -0.051 0.000 1.125 294 M CB -0.463 32.146 32.600 0.014 0.000 1.339 294 M HN 0.247 nan 8.290 nan 0.000 0.409 295 G N -0.705 107.802 108.800 -0.489 0.000 2.442 295 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 295 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 295 G C 1.401 176.007 174.900 -0.490 0.000 1.141 295 G CA 0.901 45.313 45.100 -1.148 0.000 0.763 295 G HN 0.632 nan 8.290 nan 0.000 0.554 296 G N 0.755 109.382 108.800 -0.289 0.000 2.448 296 G HA2 0.096 4.055 3.960 -0.001 0.000 0.219 296 G HA3 0.096 4.055 3.960 -0.001 0.000 0.219 296 G C 1.890 176.726 174.900 -0.107 0.000 1.127 296 G CA 1.472 46.508 45.100 -0.107 0.000 0.766 296 G HN 0.650 nan 8.290 nan 0.000 0.552 297 A N 0.815 123.598 122.820 -0.062 0.000 1.855 297 A HA 0.199 4.519 4.320 -0.001 0.000 0.213 297 A C 2.346 179.875 177.584 -0.091 0.000 1.195 297 A CA 0.936 52.990 52.037 0.028 0.000 0.610 297 A CB -0.264 18.795 19.000 0.099 0.000 0.837 297 A HN 0.313 nan 8.150 nan 0.000 0.444 298 I N 0.056 120.591 120.570 -0.058 0.000 2.226 298 I HA -0.209 3.960 4.170 -0.001 0.000 0.245 298 I C 2.683 178.766 176.117 -0.057 0.000 1.100 298 I CA 1.149 62.440 61.300 -0.015 0.000 1.374 298 I CB -0.755 37.283 38.000 0.062 0.000 1.057 298 I HN 0.395 nan 8.210 nan 0.000 0.413 299 G N 0.809 109.567 108.800 -0.070 0.000 2.433 299 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.216 299 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.216 299 G C 1.743 176.484 174.900 -0.265 0.000 1.186 299 G CA 0.865 45.924 45.100 -0.069 0.000 0.779 299 G HN 0.489 nan 8.290 nan 0.000 0.543 300 G N 0.649 109.084 108.800 -0.608 0.000 2.450 300 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.220 300 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.220 300 G C 1.748 176.135 174.900 -0.855 0.000 1.130 300 G CA 1.080 45.422 45.100 -1.264 0.000 0.760 300 G HN 0.431 nan 8.290 nan 0.000 0.557 301 L N 0.630 121.573 121.223 -0.466 0.000 2.083 301 L HA -0.013 4.327 4.340 -0.001 0.000 0.209 301 L C 2.666 179.519 176.870 -0.029 0.000 1.083 301 L CA 1.516 56.313 54.840 -0.071 0.000 0.752 301 L CB -0.872 41.199 42.059 0.021 0.000 0.899 301 L HN 0.242 nan 8.230 nan 0.000 0.433 302 C N -0.083 119.182 119.300 -0.058 0.000 2.440 302 C HA 0.039 4.499 4.460 -0.001 0.000 0.278 302 C C 2.687 177.678 174.990 0.002 0.000 1.295 302 C CA 0.604 59.618 59.018 -0.007 0.000 1.738 302 C CB -1.848 25.896 27.740 0.007 0.000 1.987 302 C HN 0.744 nan 8.230 nan 0.000 0.492 303 G N -0.160 108.615 108.800 -0.042 0.000 2.534 303 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.217 303 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.217 303 G C 1.485 176.414 174.900 0.048 0.000 1.128 303 G CA 0.467 45.562 45.100 -0.009 0.000 0.784 303 G HN 0.480 nan 8.290 nan 0.000 0.542 304 L N 0.149 121.408 121.223 0.061 0.000 2.068 304 L HA 0.286 4.626 4.340 -0.001 0.000 0.204 304 L C 2.549 179.520 176.870 0.168 0.000 1.076 304 L CA 1.150 56.072 54.840 0.137 0.000 0.753 304 L CB -0.279 41.892 42.059 0.187 0.000 0.910 304 L HN 0.124 nan 8.230 nan 0.000 0.439 305 L N -0.266 121.033 121.223 0.126 0.000 2.275 305 L HA -0.057 4.282 4.340 -0.001 0.000 0.215 305 L C 1.867 178.814 176.870 0.127 0.000 1.119 305 L CA 0.810 55.725 54.840 0.124 0.000 0.790 305 L CB -1.060 41.050 42.059 0.085 0.000 0.919 305 L HN 0.480 nan 8.230 nan 0.000 0.443 306 G N -1.763 107.114 108.800 0.129 0.000 3.340 306 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.240 306 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.240 306 G C 0.524 175.565 174.900 0.235 0.000 1.327 306 G CA -0.017 45.164 45.100 0.135 0.000 1.170 306 G HN 0.386 nan 8.290 nan 0.000 0.520 307 F N -0.732 119.255 119.950 0.062 0.000 3.064 307 F HA 0.083 4.609 4.527 -0.001 0.000 0.406 307 F C 1.164 177.032 175.800 0.114 0.000 1.027 307 F CA 0.362 58.407 58.000 0.075 0.000 0.960 307 F CB 0.524 39.553 39.000 0.048 0.000 1.418 307 F HN 0.093 nan 8.300 nan 0.000 0.536 308 V N -1.292 118.680 119.914 0.096 0.000 3.432 308 V HA 0.858 4.977 4.120 -0.001 0.000 0.298 308 V C 0.325 176.479 176.094 0.100 0.000 1.464 308 V CA 0.585 62.935 62.300 0.085 0.000 1.046 308 V CB 0.283 32.222 31.823 0.194 0.000 0.887 308 V HN 0.649 nan 8.190 nan 0.000 0.441 309 A N -0.087 122.797 122.820 0.105 0.000 2.012 309 A HA 0.497 4.816 4.320 -0.001 0.000 0.237 309 A C -1.823 175.822 177.584 0.103 0.000 1.940 309 A CA 0.172 52.303 52.037 0.155 0.000 1.903 309 A CB -0.448 18.724 19.000 0.287 0.000 0.745 309 A HN 0.246 nan 8.150 nan 0.000 0.926 310 P HA -0.278 nan 4.420 nan 0.000 0.219 310 P C 1.747 179.078 177.300 0.052 0.000 1.153 310 P CA 2.478 65.622 63.100 0.073 0.000 0.865 310 P CB 0.274 32.022 31.700 0.081 0.000 0.788 311 A N -1.182 121.661 122.820 0.038 0.000 2.216 311 A HA -0.108 4.211 4.320 -0.001 0.000 0.214 311 A C 1.974 179.492 177.584 -0.111 0.000 1.160 311 A CA 1.907 53.929 52.037 -0.026 0.000 0.725 311 A CB -1.423 17.514 19.000 -0.105 0.000 0.784 311 A HN 0.370 nan 8.150 nan 0.000 0.472 312 T N -4.416 110.070 114.554 -0.113 0.000 3.015 312 T HA 0.243 4.592 4.350 -0.001 0.000 0.250 312 T C 1.073 175.735 174.700 -0.064 0.000 1.057 312 T CA 0.750 62.751 62.100 -0.165 0.000 1.066 312 T CB -0.079 68.656 68.868 -0.223 0.000 0.959 312 T HN 0.276 nan 8.240 nan 0.000 0.488 313 S N -0.432 115.260 115.700 -0.014 0.000 2.713 313 S HA 0.683 5.152 4.470 -0.001 0.000 0.296 313 S C 0.732 175.342 174.600 0.016 0.000 1.114 313 S CA 0.324 58.531 58.200 0.012 0.000 0.997 313 S CB 0.711 63.931 63.200 0.034 0.000 1.249 313 S HN 1.446 nan 8.310 nan 0.000 0.534 314 G N -0.165 108.647 108.800 0.021 0.000 2.877 314 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.279 314 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.279 314 G C 0.809 175.702 174.900 -0.011 0.000 1.431 314 G CA 0.038 45.147 45.100 0.014 0.000 0.883 314 G HN 1.546 nan 8.290 nan 0.000 0.547 315 G N -1.123 107.650 108.800 -0.046 0.000 2.432 315 G HA2 0.383 4.342 3.960 -0.001 0.000 0.219 315 G HA3 0.383 4.342 3.960 -0.001 0.000 0.219 315 G C 2.033 176.841 174.900 -0.154 0.000 1.135 315 G CA 2.035 47.048 45.100 -0.145 0.000 0.767 315 G HN 2.757 nan 8.290 nan 0.000 0.550 316 G N -0.724 108.053 108.800 -0.038 0.000 2.213 316 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.226 316 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.226 316 G C 1.213 176.230 174.900 0.195 0.000 0.992 316 G CA 0.407 45.535 45.100 0.048 0.000 0.632 316 G HN 0.413 nan 8.290 nan 0.000 0.511 317 F N 1.376 121.390 119.950 0.108 0.000 2.154 317 F HA -0.173 4.354 4.527 -0.000 0.000 0.301 317 F C 2.728 178.590 175.800 0.103 0.000 1.087 317 F CA 1.260 59.327 58.000 0.111 0.000 1.274 317 F CB -0.184 38.890 39.000 0.123 0.000 1.009 317 F HN 0.182 nan 8.300 nan 0.000 0.485 318 N N 1.132 120.013 118.700 0.301 0.000 2.149 318 N HA -0.180 4.559 4.740 -0.001 0.000 0.188 318 N C 1.734 177.365 175.510 0.201 0.000 1.019 318 N CA 1.680 54.855 53.050 0.208 0.000 0.857 318 N CB -0.438 38.150 38.487 0.169 0.000 0.997 318 N HN 0.355 nan 8.380 nan 0.000 0.426 319 L N -1.619 119.746 121.223 0.235 0.000 2.558 319 L HA 0.260 4.599 4.340 -0.001 0.000 0.225 319 L C 1.800 178.846 176.870 0.293 0.000 1.128 319 L CA 0.691 55.720 54.840 0.315 0.000 0.868 319 L CB -0.360 41.888 42.059 0.315 0.000 1.006 319 L HN -0.050 nan 8.230 nan 0.000 0.454 320 I N 0.573 121.277 120.570 0.224 0.000 2.163 320 I HA -0.095 4.074 4.170 -0.001 0.000 0.240 320 I C -0.091 176.100 176.117 0.124 0.000 1.081 320 I CA 1.191 62.598 61.300 0.179 0.000 1.353 320 I CB -1.418 36.682 38.000 0.166 0.000 1.054 320 I HN 0.251 nan 8.210 nan 0.000 0.407 321 P HA -0.155 nan 4.420 nan 0.000 0.215 321 P C 1.869 179.175 177.300 0.010 0.000 1.153 321 P CA 1.591 64.716 63.100 0.042 0.000 0.853 321 P CB 0.007 31.727 31.700 0.033 0.000 0.788 322 I N -0.612 119.953 120.570 -0.009 0.000 2.127 322 I HA -0.276 3.893 4.170 -0.001 0.000 0.241 322 I C 2.325 178.314 176.117 -0.213 0.000 1.075 322 I CA 1.737 62.928 61.300 -0.182 0.000 1.334 322 I CB -0.935 36.872 38.000 -0.321 0.000 1.040 322 I HN -0.084 nan 8.210 nan 0.000 0.405 323 A N 0.317 123.165 122.820 0.046 0.000 1.972 323 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 323 A C 2.341 179.998 177.584 0.121 0.000 1.169 323 A CA 2.254 54.425 52.037 0.223 0.000 0.635 323 A CB -1.015 18.227 19.000 0.403 0.000 0.810 323 A HN 0.425 nan 8.150 nan 0.000 0.446 324 T N 0.230 114.836 114.554 0.087 0.000 2.867 324 T HA 0.070 4.420 4.350 -0.001 0.000 0.268 324 T C 1.953 176.681 174.700 0.047 0.000 1.057 324 T CA 1.175 63.320 62.100 0.074 0.000 1.136 324 T CB -0.264 68.639 68.868 0.057 0.000 0.874 324 T HN 0.553 nan 8.240 nan 0.000 0.466 325 A N 0.610 123.434 122.820 0.006 0.000 2.235 325 A HA 0.478 4.798 4.320 -0.001 0.000 0.208 325 A C 1.974 179.549 177.584 -0.014 0.000 1.172 325 A CA 0.790 52.819 52.037 -0.013 0.000 0.786 325 A CB -0.932 18.040 19.000 -0.046 0.000 0.804 325 A HN 0.730 nan 8.150 nan 0.000 0.479 326 G N -0.341 108.458 108.800 -0.000 0.000 2.160 326 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.251 326 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.251 326 G C 0.449 175.332 174.900 -0.029 0.000 1.008 326 G CA 0.574 45.682 45.100 0.015 0.000 0.724 326 G HN 0.675 nan 8.290 nan 0.000 0.514 327 N N -1.086 117.534 118.700 -0.133 0.000 2.494 327 N HA 0.185 4.925 4.740 -0.001 0.000 0.182 327 N C 0.112 175.496 175.510 -0.209 0.000 1.076 327 N CA 0.048 52.973 53.050 -0.208 0.000 0.908 327 N CB 0.079 38.377 38.487 -0.315 0.000 0.967 327 N HN 0.363 nan 8.380 nan 0.000 0.449 328 F N 0.884 120.857 119.950 0.039 0.000 2.397 328 F HA 0.261 4.788 4.527 -0.001 0.000 0.331 328 F C 1.072 176.892 175.800 0.033 0.000 1.090 328 F CA -1.648 56.379 58.000 0.045 0.000 1.065 328 F CB 0.979 40.014 39.000 0.059 0.000 1.184 328 F HN -0.164 nan 8.300 nan 0.000 0.499 329 S N 1.961 117.814 115.700 0.256 0.000 2.645 329 S HA 0.225 4.694 4.470 -0.001 0.000 0.266 329 S C 1.069 175.736 174.600 0.112 0.000 1.258 329 S CA -0.727 57.552 58.200 0.132 0.000 0.990 329 S CB 0.785 64.042 63.200 0.094 0.000 0.967 329 S HN 0.734 nan 8.310 nan 0.000 0.556 330 M N 2.062 121.695 119.600 0.055 0.000 2.080 330 M HA 0.073 4.552 4.480 -0.001 0.000 0.260 330 M C 1.958 178.277 176.300 0.033 0.000 1.068 330 M CA 2.283 57.598 55.300 0.025 0.000 1.109 330 M CB -1.551 31.042 32.600 -0.011 0.000 1.342 330 M HN 0.913 nan 8.290 nan 0.000 0.405 331 G N -0.147 108.676 108.800 0.038 0.000 2.446 331 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 331 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 331 G C 1.480 176.433 174.900 0.088 0.000 1.168 331 G CA 1.306 46.433 45.100 0.046 0.000 0.771 331 G HN 0.512 nan 8.290 nan 0.000 0.551 332 M N 0.406 120.064 119.600 0.097 0.000 2.213 332 M HA 0.132 4.611 4.480 -0.001 0.000 0.263 332 M C 2.290 178.610 176.300 0.034 0.000 1.062 332 M CA 1.118 56.488 55.300 0.117 0.000 1.105 332 M CB -0.394 32.284 32.600 0.130 0.000 1.385 332 M HN 0.198 nan 8.290 nan 0.000 0.417 333 L N -1.673 119.561 121.223 0.018 0.000 2.027 333 L HA -0.172 4.167 4.340 -0.001 0.000 0.206 333 L C 2.252 179.135 176.870 0.022 0.000 1.074 333 L CA 0.914 55.739 54.840 -0.025 0.000 0.745 333 L CB -0.955 41.113 42.059 0.015 0.000 0.898 333 L HN 0.107 nan 8.230 nan 0.000 0.433 334 V N -0.126 119.819 119.914 0.051 0.000 2.343 334 V HA -0.334 3.785 4.120 -0.001 0.000 0.247 334 V C 2.195 178.394 176.094 0.175 0.000 1.051 334 V CA 2.034 64.389 62.300 0.092 0.000 1.036 334 V CB -0.650 31.213 31.823 0.067 0.000 0.654 334 V HN 0.374 nan 8.190 nan 0.000 0.451 335 F N 0.664 120.622 119.950 0.014 0.000 2.026 335 F HA -0.231 4.295 4.527 -0.001 0.000 0.296 335 F C 2.282 178.085 175.800 0.006 0.000 1.133 335 F CA 2.089 60.093 58.000 0.006 0.000 1.188 335 F CB -0.201 38.785 39.000 -0.024 0.000 0.968 335 F HN 0.023 nan 8.300 nan 0.000 0.476 336 I N -0.233 120.131 120.570 -0.343 0.000 2.145 336 I HA -0.353 3.816 4.170 -0.001 0.000 0.244 336 I C 2.314 178.300 176.117 -0.218 0.000 1.075 336 I CA 1.709 62.737 61.300 -0.454 0.000 1.332 336 I CB -0.701 37.084 38.000 -0.358 0.000 1.033 336 I HN 0.285 nan 8.210 nan 0.000 0.410 337 F N 1.446 121.272 119.950 -0.206 0.000 2.000 337 F HA -0.270 4.256 4.527 -0.001 0.000 0.296 337 F C 2.467 178.213 175.800 -0.090 0.000 1.159 337 F CA 2.081 59.999 58.000 -0.136 0.000 1.183 337 F CB -0.816 38.108 39.000 -0.126 0.000 0.959 337 F HN -0.235 nan 8.300 nan 0.000 0.490 338 V N 0.852 120.764 119.914 -0.003 0.000 2.250 338 V HA -0.407 3.713 4.120 -0.001 0.000 0.250 338 V C 2.730 178.749 176.094 -0.125 0.000 1.060 338 V CA 2.248 64.515 62.300 -0.054 0.000 1.030 338 V CB -1.813 30.065 31.823 0.093 0.000 0.643 338 V HN 0.589 nan 8.190 nan 0.000 0.445 339 A N -0.316 122.383 122.820 -0.201 0.000 1.917 339 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 339 A C 2.370 179.847 177.584 -0.180 0.000 1.182 339 A CA 2.182 54.072 52.037 -0.245 0.000 0.633 339 A CB -0.544 18.105 19.000 -0.586 0.000 0.819 339 A HN 0.547 nan 8.150 nan 0.000 0.448 340 R N -0.858 119.515 120.500 -0.212 0.000 2.115 340 R HA -0.018 4.321 4.340 -0.001 0.000 0.226 340 R C 2.008 178.254 176.300 -0.090 0.000 1.100 340 R CA 1.172 57.186 56.100 -0.143 0.000 0.980 340 R CB -0.468 29.742 30.300 -0.150 0.000 0.875 340 R HN 0.427 nan 8.270 nan 0.000 0.445 341 V N 1.533 121.352 119.914 -0.159 0.000 2.343 341 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 341 V C 2.263 178.443 176.094 0.144 0.000 1.051 341 V CA 1.713 64.037 62.300 0.040 0.000 1.036 341 V CB -0.368 31.482 31.823 0.046 0.000 0.654 341 V HN 0.251 nan 8.190 nan 0.000 0.451 342 I N 0.846 121.439 120.570 0.040 0.000 2.163 342 I HA -0.225 3.945 4.170 -0.001 0.000 0.240 342 I C 2.750 178.899 176.117 0.055 0.000 1.081 342 I CA 2.079 63.399 61.300 0.033 0.000 1.353 342 I CB -0.794 37.203 38.000 -0.004 0.000 1.054 342 I HN 0.483 nan 8.210 nan 0.000 0.407 343 T N -2.434 112.142 114.554 0.036 0.000 2.867 343 T HA -0.126 4.224 4.350 -0.001 0.000 0.268 343 T C 1.775 176.535 174.700 0.101 0.000 1.057 343 T CA 1.704 63.837 62.100 0.055 0.000 1.136 343 T CB -0.786 68.096 68.868 0.023 0.000 0.874 343 T HN 0.231 nan 8.240 nan 0.000 0.466 344 T N 2.377 117.004 114.554 0.122 0.000 2.701 344 T HA 0.149 4.498 4.350 -0.001 0.000 0.263 344 T C 1.931 176.776 174.700 0.242 0.000 1.040 344 T CA 1.044 63.255 62.100 0.185 0.000 1.147 344 T CB -0.501 68.501 68.868 0.224 0.000 0.865 344 T HN 0.268 nan 8.240 nan 0.000 0.426 345 L N 0.253 121.609 121.223 0.221 0.000 1.989 345 L HA -0.116 4.223 4.340 -0.001 0.000 0.211 345 L C 2.493 179.463 176.870 0.167 0.000 1.071 345 L CA 0.976 55.922 54.840 0.178 0.000 0.749 345 L CB -0.623 41.506 42.059 0.117 0.000 0.890 345 L HN 0.197 nan 8.230 nan 0.000 0.431 346 L N -0.612 120.690 121.223 0.132 0.000 2.012 346 L HA -0.271 4.068 4.340 -0.001 0.000 0.210 346 L C 2.610 179.586 176.870 0.177 0.000 1.073 346 L CA 1.804 56.718 54.840 0.124 0.000 0.748 346 L CB -0.752 41.363 42.059 0.093 0.000 0.891 346 L HN 0.365 nan 8.230 nan 0.000 0.431 347 C N -2.081 117.337 119.300 0.198 0.000 2.466 347 C HA -0.124 4.335 4.460 -0.001 0.000 0.278 347 C C 2.587 177.733 174.990 0.261 0.000 1.288 347 C CA 0.112 59.269 59.018 0.232 0.000 1.722 347 C CB -0.972 26.887 27.740 0.199 0.000 2.017 347 C HN 0.538 nan 8.230 nan 0.000 0.488 348 F N 2.084 122.111 119.950 0.129 0.000 2.094 348 F HA -0.052 4.474 4.527 -0.001 0.000 0.291 348 F C 2.546 178.425 175.800 0.133 0.000 1.109 348 F CA 1.878 59.951 58.000 0.121 0.000 1.221 348 F CB -0.702 38.369 39.000 0.119 0.000 1.014 348 F HN 0.032 nan 8.300 nan 0.000 0.473 349 S N -0.150 115.594 115.700 0.074 0.000 2.419 349 S HA -0.190 4.279 4.470 -0.001 0.000 0.235 349 S C 2.034 176.663 174.600 0.048 0.000 1.019 349 S CA 1.251 59.445 58.200 -0.010 0.000 0.982 349 S CB -0.834 62.412 63.200 0.076 0.000 0.789 349 S HN 0.569 nan 8.310 nan 0.000 0.490 350 S N 0.848 116.639 115.700 0.152 0.000 2.595 350 S HA 0.184 4.653 4.470 -0.001 0.000 0.235 350 S C 1.506 176.400 174.600 0.490 0.000 0.974 350 S CA 0.768 59.165 58.200 0.329 0.000 0.942 350 S CB -0.696 62.750 63.200 0.410 0.000 0.766 350 S HN 0.789 nan 8.310 nan 0.000 0.536 351 G N 0.507 109.413 108.800 0.178 0.000 2.155 351 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.257 351 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.257 351 G C 0.276 175.099 174.900 -0.128 0.000 0.983 351 G CA 0.090 45.241 45.100 0.085 0.000 0.676 351 G HN 1.384 nan 8.290 nan 0.000 0.528 352 A N 0.868 123.557 122.820 -0.218 0.000 2.445 352 A HA 0.604 4.924 4.320 -0.001 0.000 0.242 352 A C -1.177 176.228 177.584 -0.298 0.000 1.075 352 A CA -0.489 51.179 52.037 -0.614 0.000 0.777 352 A CB 0.337 19.039 19.000 -0.496 0.000 1.013 352 A HN 0.298 nan 8.150 nan 0.000 0.493 353 P HA 0.377 nan 4.420 nan 0.000 0.269 353 P C 0.117 177.406 177.300 -0.019 0.000 1.252 353 P CA 0.735 63.756 63.100 -0.131 0.000 0.780 353 P CB 0.525 32.145 31.700 -0.133 0.000 0.829 354 G N 1.974 110.814 108.800 0.066 0.000 2.355 354 G HA2 0.484 4.443 3.960 -0.001 0.000 0.296 354 G HA3 0.484 4.443 3.960 -0.001 0.000 0.296 354 G C -0.921 174.133 174.900 0.257 0.000 1.507 354 G CA -0.421 44.764 45.100 0.142 0.000 0.823 354 G HN 0.522 nan 8.290 nan 0.000 0.569 355 G N -1.186 107.736 108.800 0.202 0.000 2.477 355 G HA2 0.550 4.510 3.960 -0.001 0.000 0.304 355 G HA3 0.550 4.510 3.960 -0.001 0.000 0.304 355 G C 0.478 175.455 174.900 0.128 0.000 1.175 355 G CA -0.411 44.819 45.100 0.217 0.000 0.907 355 G HN 1.002 nan 8.290 nan 0.000 0.509 356 I N 0.485 120.998 120.570 -0.095 0.000 4.082 356 I HA 0.268 4.438 4.170 -0.001 0.000 0.337 356 I C 1.315 177.399 176.117 -0.055 0.000 1.352 356 I CA -0.428 60.685 61.300 -0.311 0.000 1.097 356 I CB 0.017 37.310 38.000 -1.179 0.000 1.048 356 I HN 0.575 nan 8.210 nan 0.000 0.393 357 F N 1.920 121.855 119.950 -0.025 0.000 2.031 357 F HA -0.182 4.344 4.527 -0.001 0.000 0.295 357 F C 2.492 178.333 175.800 0.068 0.000 1.133 357 F CA 2.406 60.441 58.000 0.059 0.000 1.188 357 F CB -0.235 38.876 39.000 0.185 0.000 0.974 357 F HN 0.108 nan 8.300 nan 0.000 0.473 358 A N 0.368 123.446 122.820 0.431 0.000 1.865 358 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 358 A C -0.205 177.402 177.584 0.038 0.000 1.191 358 A CA 2.025 54.222 52.037 0.265 0.000 0.623 358 A CB -2.209 16.832 19.000 0.069 0.000 0.826 358 A HN 0.343 nan 8.150 nan 0.000 0.444 359 P HA -0.177 nan 4.420 nan 0.000 0.217 359 P C 1.567 178.840 177.300 -0.045 0.000 1.148 359 P CA 1.455 64.543 63.100 -0.019 0.000 0.828 359 P CB -0.175 31.531 31.700 0.010 0.000 0.783 360 M N -2.149 117.396 119.600 -0.092 0.000 2.374 360 M HA -0.087 4.393 4.480 -0.001 0.000 0.264 360 M C 1.875 178.102 176.300 -0.121 0.000 1.067 360 M CA 1.325 56.526 55.300 -0.164 0.000 1.103 360 M CB -0.611 31.840 32.600 -0.249 0.000 1.402 360 M HN -0.017 nan 8.290 nan 0.000 0.444 361 L N -0.298 120.868 121.223 -0.095 0.000 2.005 361 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 361 L C 2.876 179.770 176.870 0.041 0.000 1.072 361 L CA 1.255 56.066 54.840 -0.047 0.000 0.744 361 L CB -0.948 41.134 42.059 0.038 0.000 0.895 361 L HN 0.268 nan 8.230 nan 0.000 0.433 362 A N 0.304 123.169 122.820 0.074 0.000 1.892 362 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 362 A C 2.251 179.897 177.584 0.103 0.000 1.188 362 A CA 1.786 53.883 52.037 0.099 0.000 0.631 362 A CB -0.878 18.165 19.000 0.071 0.000 0.822 362 A HN 0.385 nan 8.150 nan 0.000 0.447 363 L N -0.961 120.305 121.223 0.072 0.000 2.093 363 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 363 L C 2.846 179.881 176.870 0.276 0.000 1.085 363 L CA 0.989 55.922 54.840 0.155 0.000 0.755 363 L CB -0.851 41.203 42.059 -0.008 0.000 0.904 363 L HN 0.496 nan 8.230 nan 0.000 0.435 364 G N -0.554 108.386 108.800 0.233 0.000 2.418 364 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.217 364 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.217 364 G C 1.518 176.591 174.900 0.289 0.000 1.158 364 G CA 1.251 46.570 45.100 0.365 0.000 0.771 364 G HN 0.270 nan 8.290 nan 0.000 0.545 365 T N 1.102 115.751 114.554 0.159 0.000 2.545 365 T HA -0.174 4.175 4.350 -0.001 0.000 0.261 365 T C 2.460 177.257 174.700 0.163 0.000 1.097 365 T CA 1.725 63.910 62.100 0.143 0.000 1.189 365 T CB -0.756 68.192 68.868 0.134 0.000 0.863 365 T HN 0.002 nan 8.240 nan 0.000 0.405 366 V N 1.700 121.708 119.914 0.158 0.000 2.252 366 V HA -0.218 3.901 4.120 -0.001 0.000 0.255 366 V C 2.494 178.596 176.094 0.013 0.000 1.071 366 V CA 2.061 64.432 62.300 0.120 0.000 1.050 366 V CB -0.861 31.049 31.823 0.143 0.000 0.654 366 V HN 0.333 nan 8.190 nan 0.000 0.448 367 L N 0.959 122.149 121.223 -0.056 0.000 2.012 367 L HA -0.061 4.278 4.340 -0.001 0.000 0.210 367 L C 2.364 179.195 176.870 -0.066 0.000 1.073 367 L CA 2.546 57.179 54.840 -0.345 0.000 0.748 367 L CB -1.398 40.305 42.059 -0.594 0.000 0.891 367 L HN 0.290 nan 8.230 nan 0.000 0.431 368 G N -1.813 107.089 108.800 0.171 0.000 2.459 368 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.217 368 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.217 368 G C 1.419 176.455 174.900 0.227 0.000 1.183 368 G CA 1.358 46.611 45.100 0.254 0.000 0.776 368 G HN 0.445 nan 8.290 nan 0.000 0.552 369 T N 1.965 116.620 114.554 0.167 0.000 2.607 369 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 369 T C 2.804 177.548 174.700 0.075 0.000 1.049 369 T CA 2.182 64.369 62.100 0.145 0.000 1.162 369 T CB -0.719 68.235 68.868 0.144 0.000 0.863 369 T HN 0.434 nan 8.240 nan 0.000 0.424 370 A N 1.177 124.008 122.820 0.019 0.000 1.903 370 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 370 A C 2.058 179.593 177.584 -0.082 0.000 1.191 370 A CA 2.092 54.097 52.037 -0.054 0.000 0.638 370 A CB -1.231 17.689 19.000 -0.133 0.000 0.823 370 A HN 0.491 nan 8.150 nan 0.000 0.451 371 F N 1.012 120.844 119.950 -0.197 0.000 2.126 371 F HA -0.086 4.440 4.527 -0.001 0.000 0.299 371 F C 2.331 177.880 175.800 -0.419 0.000 1.096 371 F CA 1.605 59.440 58.000 -0.274 0.000 1.255 371 F CB -0.764 38.099 39.000 -0.228 0.000 0.997 371 F HN 0.219 nan 8.300 nan 0.000 0.479 372 G N 0.592 109.264 108.800 -0.213 0.000 2.511 372 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.216 372 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.216 372 G C 1.685 176.393 174.900 -0.321 0.000 1.218 372 G CA 1.249 46.119 45.100 -0.383 0.000 0.788 372 G HN 0.388 nan 8.290 nan 0.000 0.560 373 M N 0.014 119.519 119.600 -0.158 0.000 2.089 373 M HA -0.161 4.319 4.480 -0.001 0.000 0.257 373 M C 2.679 178.854 176.300 -0.208 0.000 1.071 373 M CA 1.367 56.590 55.300 -0.129 0.000 1.096 373 M CB -0.716 31.837 32.600 -0.077 0.000 1.330 373 M HN 0.139 nan 8.290 nan 0.000 0.403 374 V N 0.328 120.061 119.914 -0.301 0.000 2.407 374 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 374 V C 2.690 178.555 176.094 -0.382 0.000 1.055 374 V CA 1.914 64.010 62.300 -0.340 0.000 1.049 374 V CB -1.321 30.260 31.823 -0.404 0.000 0.662 374 V HN 0.535 nan 8.190 nan 0.000 0.455 375 A N -0.086 122.420 122.820 -0.523 0.000 1.902 375 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 375 A C 2.421 179.975 177.584 -0.051 0.000 1.181 375 A CA 2.016 53.847 52.037 -0.343 0.000 0.623 375 A CB -0.729 17.779 19.000 -0.820 0.000 0.818 375 A HN 0.315 nan 8.150 nan 0.000 0.443 376 V N 1.148 120.992 119.914 -0.117 0.000 2.252 376 V HA -0.356 3.764 4.120 -0.001 0.000 0.249 376 V C 2.633 178.680 176.094 -0.079 0.000 1.056 376 V CA 2.669 64.951 62.300 -0.030 0.000 1.022 376 V CB -1.012 30.791 31.823 -0.033 0.000 0.641 376 V HN 0.950 nan 8.190 nan 0.000 0.445 377 E N 0.102 120.213 120.200 -0.148 0.000 2.208 377 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 377 E C 2.013 178.441 176.600 -0.288 0.000 0.988 377 E CA 1.179 57.470 56.400 -0.180 0.000 0.828 377 E CB -0.367 29.233 29.700 -0.166 0.000 0.763 377 E HN 0.563 nan 8.360 nan 0.000 0.478 378 L N -0.440 120.521 121.223 -0.437 0.000 2.240 378 L HA 0.098 4.438 4.340 -0.001 0.000 0.211 378 L C 0.300 176.478 176.870 -1.154 0.000 1.106 378 L CA 0.435 54.751 54.840 -0.873 0.000 0.793 378 L CB 0.054 41.367 42.059 -1.243 0.000 0.927 378 L HN 0.105 nan 8.230 nan 0.000 0.446 379 F N -0.564 119.283 119.950 -0.171 0.000 2.660 379 F HA 0.317 4.843 4.527 -0.001 0.000 0.352 379 F C -1.719 173.974 175.800 -0.178 0.000 1.257 379 F CA -1.780 56.069 58.000 -0.251 0.000 1.200 379 F CB 0.379 39.148 39.000 -0.386 0.000 1.473 379 F HN -0.211 nan 8.300 nan 0.000 0.561 380 P HA -0.205 nan 4.420 nan 0.000 0.221 380 P C 1.286 178.473 177.300 -0.189 0.000 1.150 380 P CA 1.254 64.278 63.100 -0.126 0.000 0.800 380 P CB 0.294 31.909 31.700 -0.141 0.000 0.787 381 Q N -0.403 119.352 119.800 -0.075 0.000 2.364 381 Q HA -0.157 4.182 4.340 -0.001 0.000 0.207 381 Q C 1.500 177.743 176.000 0.405 0.000 0.970 381 Q CA 1.323 57.172 55.803 0.076 0.000 0.888 381 Q CB -1.253 27.520 28.738 0.058 0.000 0.951 381 Q HN 0.443 nan 8.270 nan 0.000 0.469 382 Y N -0.004 120.454 120.300 0.264 0.000 2.482 382 Y HA 0.023 4.573 4.550 -0.001 0.000 0.270 382 Y C -0.047 176.074 175.900 0.368 0.000 1.152 382 Y CA -0.205 58.081 58.100 0.311 0.000 1.292 382 Y CB 0.106 38.711 38.460 0.242 0.000 1.070 382 Y HN 0.281 nan 8.280 nan 0.000 0.528 383 H N -0.526 118.703 119.070 0.264 0.000 2.776 383 H HA -0.189 4.367 4.556 -0.001 0.000 0.300 383 H C 0.028 175.467 175.328 0.185 0.000 1.161 383 H CA 0.192 56.346 56.048 0.176 0.000 1.147 383 H CB -2.280 27.563 29.762 0.135 0.000 1.366 383 H HN 0.264 nan 8.280 nan 0.000 0.397 384 L N 0.089 121.495 121.223 0.306 0.000 2.483 384 L HA 0.060 4.399 4.340 -0.001 0.000 0.277 384 L C 1.090 178.102 176.870 0.237 0.000 1.248 384 L CA 0.887 55.916 54.840 0.315 0.000 0.825 384 L CB 0.345 42.630 42.059 0.377 0.000 1.096 384 L HN 0.438 nan 8.230 nan 0.000 0.512 385 E N 0.117 120.473 120.200 0.261 0.000 2.283 385 E HA 0.319 4.668 4.350 -0.001 0.000 0.258 385 E C 0.332 177.094 176.600 0.270 0.000 0.893 385 E CA -0.261 56.255 56.400 0.194 0.000 0.798 385 E CB 1.719 31.502 29.700 0.138 0.000 1.242 385 E HN 0.676 nan 8.360 nan 0.000 0.414 386 A N 3.715 126.669 122.820 0.224 0.000 1.985 386 A HA -0.262 4.058 4.320 -0.001 0.000 0.223 386 A C 1.915 179.677 177.584 0.298 0.000 1.189 386 A CA 2.311 54.501 52.037 0.255 0.000 0.658 386 A CB -1.021 18.051 19.000 0.121 0.000 0.820 386 A HN 0.781 nan 8.150 nan 0.000 0.464 387 G N -0.997 107.917 108.800 0.189 0.000 2.479 387 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.220 387 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.220 387 G C 1.616 176.591 174.900 0.126 0.000 1.115 387 G CA 2.023 47.207 45.100 0.140 0.000 0.757 387 G HN 0.842 nan 8.290 nan 0.000 0.560 388 T N -2.385 112.244 114.554 0.126 0.000 3.023 388 T HA 0.092 4.441 4.350 -0.001 0.000 0.266 388 T C 1.977 176.677 174.700 -0.001 0.000 1.093 388 T CA 0.515 62.617 62.100 0.003 0.000 1.129 388 T CB -0.332 68.488 68.868 -0.079 0.000 0.899 388 T HN 0.174 nan 8.240 nan 0.000 0.491 389 F N 1.687 121.745 119.950 0.180 0.000 2.416 389 F HA 0.456 4.983 4.527 -0.001 0.000 0.296 389 F C 2.830 178.695 175.800 0.109 0.000 1.099 389 F CA 0.265 58.347 58.000 0.138 0.000 1.427 389 F CB -0.582 38.481 39.000 0.105 0.000 1.079 389 F HN 0.236 nan 8.300 nan 0.000 0.536 390 A N 0.630 123.608 122.820 0.263 0.000 1.858 390 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 390 A C 2.218 179.858 177.584 0.093 0.000 1.190 390 A CA 1.655 53.797 52.037 0.174 0.000 0.617 390 A CB -1.051 18.039 19.000 0.149 0.000 0.827 390 A HN 0.362 nan 8.150 nan 0.000 0.443 391 I N -0.413 120.189 120.570 0.054 0.000 2.394 391 I HA -0.239 3.930 4.170 -0.001 0.000 0.251 391 I C 2.873 178.956 176.117 -0.057 0.000 1.136 391 I CA 0.876 62.167 61.300 -0.014 0.000 1.425 391 I CB -0.196 37.784 38.000 -0.034 0.000 1.079 391 I HN 0.379 nan 8.210 nan 0.000 0.425 392 A N 0.490 123.298 122.820 -0.020 0.000 1.969 392 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 392 A C 2.357 179.838 177.584 -0.171 0.000 1.169 392 A CA 1.750 53.754 52.037 -0.056 0.000 0.635 392 A CB -1.080 18.003 19.000 0.137 0.000 0.810 392 A HN 0.454 nan 8.150 nan 0.000 0.445 393 G N -1.085 107.636 108.800 -0.131 0.000 2.494 393 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.216 393 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.216 393 G C 1.512 176.180 174.900 -0.385 0.000 1.140 393 G CA 0.805 45.677 45.100 -0.380 0.000 0.801 393 G HN 0.473 nan 8.290 nan 0.000 0.536 394 M N 1.070 120.578 119.600 -0.154 0.000 2.146 394 M HA -0.095 4.384 4.480 -0.001 0.000 0.256 394 M C 2.029 178.201 176.300 -0.214 0.000 1.075 394 M CA 2.167 57.396 55.300 -0.118 0.000 1.082 394 M CB -0.110 32.445 32.600 -0.075 0.000 1.355 394 M HN 0.177 nan 8.290 nan 0.000 0.402 395 G N -1.935 106.691 108.800 -0.290 0.000 3.192 395 G HA2 0.418 4.378 3.960 -0.001 0.000 0.239 395 G HA3 0.418 4.378 3.960 -0.001 0.000 0.239 395 G C 1.125 175.794 174.900 -0.385 0.000 1.084 395 G CA 0.375 45.288 45.100 -0.312 0.000 0.784 395 G HN 0.575 nan 8.290 nan 0.000 0.540 396 A N 0.392 122.848 122.820 -0.607 0.000 2.014 396 A HA 0.207 4.526 4.320 -0.001 0.000 0.218 396 A C 2.086 179.341 177.584 -0.548 0.000 1.163 396 A CA 0.622 52.172 52.037 -0.811 0.000 0.652 396 A CB -0.190 17.824 19.000 -1.643 0.000 0.808 396 A HN 0.355 nan 8.150 nan 0.000 0.449 397 L N -0.467 120.548 121.223 -0.348 0.000 2.131 397 L HA -0.013 4.327 4.340 -0.001 0.000 0.206 397 L C 2.219 179.012 176.870 -0.128 0.000 1.087 397 L CA 1.167 56.031 54.840 0.040 0.000 0.767 397 L CB -0.413 41.709 42.059 0.106 0.000 0.917 397 L HN 0.404 nan 8.230 nan 0.000 0.441 398 L N -0.253 120.816 121.223 -0.258 0.000 2.191 398 L HA -0.175 4.164 4.340 -0.001 0.000 0.212 398 L C 2.620 179.379 176.870 -0.186 0.000 1.103 398 L CA 1.009 55.662 54.840 -0.312 0.000 0.769 398 L CB -0.564 41.212 42.059 -0.473 0.000 0.908 398 L HN 0.287 nan 8.230 nan 0.000 0.438 399 A N -0.640 122.078 122.820 -0.171 0.000 2.021 399 A HA 0.152 4.472 4.320 -0.001 0.000 0.216 399 A C 2.373 179.911 177.584 -0.077 0.000 1.163 399 A CA 1.119 53.085 52.037 -0.119 0.000 0.676 399 A CB -0.216 18.695 19.000 -0.150 0.000 0.818 399 A HN 0.344 nan 8.150 nan 0.000 0.453 400 A N -1.207 121.586 122.820 -0.046 0.000 1.997 400 A HA 0.215 4.535 4.320 -0.001 0.000 0.212 400 A C 2.280 179.847 177.584 -0.028 0.000 1.178 400 A CA 1.514 53.548 52.037 -0.006 0.000 0.698 400 A CB -0.298 18.756 19.000 0.090 0.000 0.842 400 A HN 0.368 nan 8.150 nan 0.000 0.458 401 S N -0.390 115.286 115.700 -0.040 0.000 2.339 401 S HA 0.053 4.522 4.470 -0.001 0.000 0.213 401 S C 1.804 176.346 174.600 -0.097 0.000 1.033 401 S CA 0.992 59.161 58.200 -0.051 0.000 0.950 401 S CB -0.322 62.877 63.200 -0.001 0.000 0.893 401 S HN 0.648 nan 8.310 nan 0.000 0.492 402 I N 0.325 120.810 120.570 -0.141 0.000 3.428 402 I HA 0.134 4.304 4.170 -0.001 0.000 0.286 402 I C -0.245 175.856 176.117 -0.027 0.000 1.287 402 I CA 0.535 61.741 61.300 -0.157 0.000 1.396 402 I CB -0.031 37.798 38.000 -0.284 0.000 1.062 402 I HN 0.093 nan 8.210 nan 0.000 0.471 403 R N 0.714 121.194 120.500 -0.034 0.000 3.641 403 R HA -0.169 4.170 4.340 -0.001 0.000 0.286 403 R C 0.204 176.517 176.300 0.022 0.000 1.153 403 R CA 0.838 56.929 56.100 -0.016 0.000 0.775 403 R CB -2.873 27.416 30.300 -0.018 0.000 1.215 403 R HN 0.602 nan 8.270 nan 0.000 0.474 404 A N 0.562 123.419 122.820 0.063 0.000 3.158 404 A HA 0.446 4.765 4.320 -0.001 0.000 0.319 404 A C -0.842 176.780 177.584 0.063 0.000 1.204 404 A CA -1.112 50.999 52.037 0.122 0.000 0.992 404 A CB 0.622 19.816 19.000 0.323 0.000 1.110 404 A HN -0.015 nan 8.150 nan 0.000 0.519 405 P HA -0.215 nan 4.420 nan 0.000 0.213 405 P C 1.665 178.952 177.300 -0.021 0.000 1.170 405 P CA 0.801 63.878 63.100 -0.038 0.000 0.898 405 P CB 0.177 31.846 31.700 -0.052 0.000 0.787 406 L N -0.003 121.220 121.223 0.000 0.000 2.051 406 L HA -0.170 4.170 4.340 -0.001 0.000 0.214 406 L C 2.306 179.191 176.870 0.025 0.000 1.076 406 L CA 2.430 57.276 54.840 0.009 0.000 0.758 406 L CB -1.804 40.267 42.059 0.019 0.000 0.890 406 L HN -0.018 nan 8.230 nan 0.000 0.433 407 T N -1.044 113.553 114.554 0.072 0.000 2.904 407 T HA -0.037 4.313 4.350 -0.001 0.000 0.267 407 T C 1.643 176.364 174.700 0.035 0.000 1.059 407 T CA 0.973 63.133 62.100 0.100 0.000 1.137 407 T CB -0.645 68.380 68.868 0.261 0.000 0.879 407 T HN 0.597 nan 8.240 nan 0.000 0.467 408 G N 1.575 110.372 108.800 -0.005 0.000 2.404 408 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.214 408 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.214 408 G C 1.506 176.341 174.900 -0.109 0.000 1.189 408 G CA 0.328 45.370 45.100 -0.096 0.000 0.789 408 G HN 0.459 nan 8.290 nan 0.000 0.533 409 I N 0.630 121.145 120.570 -0.091 0.000 2.118 409 I HA -0.216 3.953 4.170 -0.001 0.000 0.241 409 I C 2.711 178.790 176.117 -0.063 0.000 1.070 409 I CA 1.170 62.416 61.300 -0.089 0.000 1.327 409 I CB -0.288 37.668 38.000 -0.074 0.000 1.034 409 I HN 0.140 nan 8.210 nan 0.000 0.405 410 I N 0.051 120.598 120.570 -0.038 0.000 2.394 410 I HA -0.275 3.894 4.170 -0.001 0.000 0.251 410 I C 2.463 178.549 176.117 -0.051 0.000 1.136 410 I CA 0.958 62.242 61.300 -0.026 0.000 1.425 410 I CB -0.163 37.831 38.000 -0.011 0.000 1.079 410 I HN 0.240 nan 8.210 nan 0.000 0.425 411 L N 0.204 121.382 121.223 -0.074 0.000 2.027 411 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 411 L C 2.402 179.187 176.870 -0.141 0.000 1.074 411 L CA 1.732 56.499 54.840 -0.120 0.000 0.745 411 L CB -0.388 41.573 42.059 -0.164 0.000 0.898 411 L HN -0.046 nan 8.230 nan 0.000 0.433 412 V N -0.448 119.383 119.914 -0.138 0.000 2.255 412 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 412 V C 2.521 178.562 176.094 -0.088 0.000 1.051 412 V CA 1.831 64.054 62.300 -0.128 0.000 1.018 412 V CB -0.797 30.947 31.823 -0.131 0.000 0.641 412 V HN 0.490 nan 8.190 nan 0.000 0.445 413 L N 0.565 121.751 121.223 -0.063 0.000 1.978 413 L HA -0.266 4.074 4.340 -0.001 0.000 0.218 413 L C 2.495 179.349 176.870 -0.026 0.000 1.075 413 L CA 2.186 57.013 54.840 -0.022 0.000 0.767 413 L CB -0.901 41.169 42.059 0.019 0.000 0.890 413 L HN 0.420 nan 8.230 nan 0.000 0.434 414 E N -1.434 118.742 120.200 -0.040 0.000 2.331 414 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 414 E C 2.018 178.589 176.600 -0.048 0.000 1.008 414 E CA 1.382 57.758 56.400 -0.040 0.000 0.843 414 E CB -0.155 29.516 29.700 -0.047 0.000 0.761 414 E HN 0.600 nan 8.360 nan 0.000 0.507 415 M N -0.620 118.938 119.600 -0.070 0.000 2.615 415 M HA -0.019 4.460 4.480 -0.001 0.000 0.262 415 M C 2.334 178.594 176.300 -0.066 0.000 1.198 415 M CA 1.098 56.349 55.300 -0.082 0.000 1.165 415 M CB 0.350 32.869 32.600 -0.135 0.000 1.310 415 M HN 0.089 nan 8.290 nan 0.000 0.494 416 T N -3.846 110.673 114.554 -0.058 0.000 3.037 416 T HA 0.010 4.360 4.350 -0.001 0.000 0.252 416 T C 0.617 175.303 174.700 -0.023 0.000 1.073 416 T CA 0.276 62.351 62.100 -0.042 0.000 1.091 416 T CB -0.083 68.757 68.868 -0.046 0.000 0.935 416 T HN 0.304 nan 8.240 nan 0.000 0.488 417 D N 1.923 122.315 120.400 -0.014 0.000 2.735 417 D HA -0.167 4.472 4.640 -0.001 0.000 0.235 417 D C -0.750 175.559 176.300 0.015 0.000 1.175 417 D CA 0.369 54.374 54.000 0.008 0.000 0.683 417 D CB -1.865 38.937 40.800 0.005 0.000 1.008 417 D HN 0.592 nan 8.370 nan 0.000 0.416 418 N N 1.057 119.763 118.700 0.009 0.000 2.679 418 N HA -0.008 4.732 4.740 -0.001 0.000 0.302 418 N C 0.469 175.962 175.510 -0.029 0.000 1.941 418 N CA -0.429 52.614 53.050 -0.012 0.000 0.875 418 N CB 0.154 38.614 38.487 -0.045 0.000 1.278 418 N HN 0.253 nan 8.380 nan 0.000 0.490 419 Y N 2.093 122.354 120.300 -0.065 0.000 2.446 419 Y HA -0.255 4.295 4.550 -0.001 0.000 0.287 419 Y C 1.893 177.743 175.900 -0.083 0.000 1.159 419 Y CA 1.937 59.994 58.100 -0.071 0.000 1.297 419 Y CB 0.298 38.725 38.460 -0.055 0.000 0.974 419 Y HN 0.340 nan 8.280 nan 0.000 0.557 420 Q N -0.376 119.274 119.800 -0.250 0.000 2.436 420 Q HA -0.003 4.337 4.340 -0.001 0.000 0.209 420 Q C 1.455 177.242 176.000 -0.356 0.000 0.965 420 Q CA 1.292 56.916 55.803 -0.298 0.000 0.910 420 Q CB -0.491 28.163 28.738 -0.140 0.000 0.980 420 Q HN 0.510 nan 8.270 nan 0.000 0.491 421 L N -0.186 120.833 121.223 -0.340 0.000 2.611 421 L HA 0.108 4.448 4.340 -0.001 0.000 0.229 421 L C 1.379 178.000 176.870 -0.415 0.000 1.137 421 L CA -0.280 54.342 54.840 -0.364 0.000 0.901 421 L CB -0.083 41.807 42.059 -0.281 0.000 1.098 421 L HN 0.209 nan 8.230 nan 0.000 0.456 422 I N 0.293 120.562 120.570 -0.502 0.000 2.145 422 I HA -0.340 3.830 4.170 -0.001 0.000 0.244 422 I C 2.192 178.105 176.117 -0.339 0.000 1.075 422 I CA 1.773 62.803 61.300 -0.449 0.000 1.332 422 I CB -0.037 37.546 38.000 -0.696 0.000 1.033 422 I HN 0.154 nan 8.210 nan 0.000 0.410 423 L N 0.486 121.499 121.223 -0.350 0.000 2.017 423 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 423 L C -0.403 176.264 176.870 -0.339 0.000 1.073 423 L CA 2.324 56.995 54.840 -0.281 0.000 0.745 423 L CB -1.891 40.018 42.059 -0.250 0.000 0.894 423 L HN 0.173 nan 8.230 nan 0.000 0.432 424 P HA -0.174 nan 4.420 nan 0.000 0.215 424 P C 2.012 179.055 177.300 -0.428 0.000 1.157 424 P CA 1.599 64.201 63.100 -0.829 0.000 0.868 424 P CB -0.044 30.686 31.700 -1.616 0.000 0.788 425 M N -1.617 117.773 119.600 -0.351 0.000 2.080 425 M HA -0.155 4.325 4.480 -0.001 0.000 0.260 425 M C 2.140 178.334 176.300 -0.178 0.000 1.068 425 M CA 1.916 57.079 55.300 -0.227 0.000 1.109 425 M CB -0.920 31.555 32.600 -0.208 0.000 1.342 425 M HN -0.095 nan 8.290 nan 0.000 0.405 426 I N 0.011 120.479 120.570 -0.169 0.000 2.315 426 I HA -0.266 3.904 4.170 -0.001 0.000 0.248 426 I C 2.231 178.288 176.117 -0.100 0.000 1.117 426 I CA 1.203 62.431 61.300 -0.120 0.000 1.404 426 I CB -0.291 37.647 38.000 -0.103 0.000 1.071 426 I HN 0.274 nan 8.210 nan 0.000 0.419 427 I N 0.036 120.541 120.570 -0.107 0.000 2.353 427 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 427 I C 2.484 178.580 176.117 -0.034 0.000 1.119 427 I CA 1.246 62.513 61.300 -0.054 0.000 1.417 427 I CB -0.359 37.619 38.000 -0.037 0.000 1.078 427 I HN 0.204 nan 8.210 nan 0.000 0.421 428 T N 0.309 114.832 114.554 -0.053 0.000 2.698 428 T HA -0.074 4.275 4.350 -0.001 0.000 0.260 428 T C 1.935 176.564 174.700 -0.118 0.000 1.044 428 T CA 1.512 63.571 62.100 -0.067 0.000 1.149 428 T CB -0.681 68.136 68.868 -0.085 0.000 0.864 428 T HN 0.518 nan 8.240 nan 0.000 0.419 429 G N 1.328 110.034 108.800 -0.157 0.000 2.469 429 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.219 429 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.219 429 G C 1.537 176.376 174.900 -0.101 0.000 1.150 429 G CA 0.931 45.936 45.100 -0.158 0.000 0.763 429 G HN 0.400 nan 8.290 nan 0.000 0.561 430 L N 1.247 122.425 121.223 -0.075 0.000 2.109 430 L HA 0.233 4.572 4.340 -0.001 0.000 0.207 430 L C 2.839 179.686 176.870 -0.039 0.000 1.086 430 L CA 1.946 56.753 54.840 -0.054 0.000 0.760 430 L CB -0.726 41.310 42.059 -0.038 0.000 0.910 430 L HN 0.167 nan 8.230 nan 0.000 0.437 431 G N -1.098 107.688 108.800 -0.023 0.000 2.422 431 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 431 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 431 G C 1.596 176.498 174.900 0.003 0.000 1.146 431 G CA 0.756 45.861 45.100 0.008 0.000 0.769 431 G HN 0.578 nan 8.290 nan 0.000 0.547 432 A N 0.611 123.424 122.820 -0.011 0.000 1.845 432 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 432 A C 2.516 180.081 177.584 -0.032 0.000 1.195 432 A CA 2.538 54.581 52.037 0.009 0.000 0.616 432 A CB -1.152 17.838 19.000 -0.018 0.000 0.832 432 A HN 0.280 nan 8.150 nan 0.000 0.443 433 T N 0.367 114.881 114.554 -0.067 0.000 2.929 433 T HA -0.039 4.311 4.350 -0.001 0.000 0.271 433 T C 1.689 176.287 174.700 -0.169 0.000 1.085 433 T CA 1.230 63.270 62.100 -0.099 0.000 1.125 433 T CB -0.270 68.544 68.868 -0.091 0.000 0.874 433 T HN 0.322 nan 8.240 nan 0.000 0.494 434 L N -0.013 121.109 121.223 -0.167 0.000 2.127 434 L HA 0.086 4.425 4.340 -0.001 0.000 0.203 434 L C 2.318 178.979 176.870 -0.347 0.000 1.080 434 L CA 0.627 55.278 54.840 -0.315 0.000 0.768 434 L CB -0.238 41.749 42.059 -0.120 0.000 0.924 434 L HN 0.235 nan 8.230 nan 0.000 0.444 435 L N -0.443 120.731 121.223 -0.082 0.000 2.179 435 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 435 L C 2.724 179.592 176.870 -0.004 0.000 1.096 435 L CA 1.470 56.330 54.840 0.034 0.000 0.779 435 L CB -1.139 40.969 42.059 0.081 0.000 0.922 435 L HN 0.186 nan 8.230 nan 0.000 0.443 436 A N -0.954 121.835 122.820 -0.052 0.000 2.015 436 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 436 A C 2.234 179.770 177.584 -0.080 0.000 1.163 436 A CA 1.307 53.316 52.037 -0.048 0.000 0.646 436 A CB -0.331 18.640 19.000 -0.049 0.000 0.806 436 A HN 0.481 nan 8.150 nan 0.000 0.448 437 Q N -1.539 118.146 119.800 -0.193 0.000 2.096 437 Q HA -0.059 4.280 4.340 -0.001 0.000 0.197 437 Q C 0.831 176.765 176.000 -0.111 0.000 0.964 437 Q CA 1.034 56.694 55.803 -0.238 0.000 0.838 437 Q CB -0.049 28.405 28.738 -0.474 0.000 0.906 437 Q HN 0.607 nan 8.270 nan 0.000 0.444 438 F N 0.240 120.202 119.950 0.020 0.000 2.811 438 F HA 0.061 4.588 4.527 -0.001 0.000 0.301 438 F C 1.539 177.350 175.800 0.019 0.000 1.151 438 F CA 0.893 58.905 58.000 0.021 0.000 1.412 438 F CB 0.090 39.104 39.000 0.024 0.000 1.113 438 F HN 0.089 nan 8.300 nan 0.000 0.579 439 T N -4.332 110.313 114.554 0.152 0.000 3.252 439 T HA 0.479 4.829 4.350 -0.001 0.000 0.286 439 T C 1.570 176.304 174.700 0.056 0.000 1.013 439 T CA 0.225 62.382 62.100 0.095 0.000 0.914 439 T CB 0.164 69.072 68.868 0.067 0.000 1.131 439 T HN 0.335 nan 8.240 nan 0.000 0.529 440 G N 0.831 109.668 108.800 0.062 0.000 2.184 440 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.264 440 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.264 440 G C 0.677 175.584 174.900 0.012 0.000 0.975 440 G CA -0.069 45.054 45.100 0.039 0.000 0.642 440 G HN 1.102 nan 8.290 nan 0.000 0.536 441 G N -0.444 108.352 108.800 -0.007 0.000 2.732 441 G HA2 0.460 4.419 3.960 -0.001 0.000 0.244 441 G HA3 0.460 4.419 3.960 -0.001 0.000 0.244 441 G C 0.051 174.940 174.900 -0.017 0.000 1.226 441 G CA 0.516 45.600 45.100 -0.027 0.000 0.860 441 G HN 0.608 nan 8.290 nan 0.000 0.583 442 K N 0.442 120.830 120.400 -0.019 0.000 2.482 442 K HA 0.325 4.645 4.320 -0.001 0.000 0.257 442 K C -2.843 173.755 176.600 -0.003 0.000 0.969 442 K CA -1.809 54.478 56.287 0.001 0.000 0.842 442 K CB 2.625 35.136 32.500 0.018 0.000 1.359 442 K HN 0.108 nan 8.250 nan 0.000 0.441 443 P HA -0.074 nan 4.420 nan 0.000 0.259 443 P C 0.833 178.146 177.300 0.021 0.000 1.211 443 P CA 0.099 63.210 63.100 0.019 0.000 0.810 443 P CB 0.241 31.974 31.700 0.055 0.000 0.815 444 L N 3.945 125.139 121.223 -0.047 0.000 2.103 444 L HA -0.250 4.090 4.340 -0.001 0.000 0.215 444 L C 1.230 178.121 176.870 0.037 0.000 1.080 444 L CA 2.274 57.079 54.840 -0.058 0.000 0.764 444 L CB -0.639 41.321 42.059 -0.166 0.000 0.890 444 L HN 0.453 nan 8.230 nan 0.000 0.435 445 Y N -0.904 119.459 120.300 0.104 0.000 2.314 445 Y HA -0.163 4.387 4.550 -0.001 0.000 0.293 445 Y C 2.784 178.731 175.900 0.079 0.000 1.129 445 Y CA 0.856 59.022 58.100 0.110 0.000 1.201 445 Y CB 0.102 38.628 38.460 0.110 0.000 0.999 445 Y HN 0.219 nan 8.280 nan 0.000 0.541 446 S N -0.223 115.609 115.700 0.219 0.000 2.377 446 S HA -0.110 4.359 4.470 -0.001 0.000 0.223 446 S C 2.267 176.940 174.600 0.123 0.000 1.030 446 S CA 0.761 59.055 58.200 0.156 0.000 0.970 446 S CB -0.361 62.926 63.200 0.146 0.000 0.830 446 S HN 0.488 nan 8.310 nan 0.000 0.473 447 A N 1.574 124.456 122.820 0.104 0.000 1.940 447 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 447 A C 2.009 179.644 177.584 0.085 0.000 1.176 447 A CA 1.188 53.270 52.037 0.075 0.000 0.631 447 A CB -0.692 18.339 19.000 0.051 0.000 0.814 447 A HN 0.495 nan 8.150 nan 0.000 0.446 448 I N -1.096 119.549 120.570 0.125 0.000 2.353 448 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 448 I C 2.386 178.563 176.117 0.101 0.000 1.119 448 I CA 0.949 62.327 61.300 0.130 0.000 1.417 448 I CB -0.194 37.934 38.000 0.213 0.000 1.078 448 I HN 0.376 nan 8.210 nan 0.000 0.421 449 L N 1.241 122.529 121.223 0.108 0.000 2.072 449 L HA -0.034 4.306 4.340 -0.001 0.000 0.205 449 L C 2.548 179.450 176.870 0.054 0.000 1.079 449 L CA 1.928 56.812 54.840 0.074 0.000 0.752 449 L CB -0.772 41.332 42.059 0.075 0.000 0.906 449 L HN 0.146 nan 8.230 nan 0.000 0.436 450 A N -0.476 122.378 122.820 0.058 0.000 1.978 450 A HA -0.176 4.144 4.320 -0.001 0.000 0.220 450 A C 2.348 179.948 177.584 0.027 0.000 1.170 450 A CA 1.355 53.414 52.037 0.038 0.000 0.636 450 A CB -0.452 18.572 19.000 0.039 0.000 0.810 450 A HN 0.418 nan 8.150 nan 0.000 0.448 451 R N -0.903 119.616 120.500 0.032 0.000 2.064 451 R HA -0.067 4.272 4.340 -0.001 0.000 0.228 451 R C 2.335 178.643 176.300 0.014 0.000 1.144 451 R CA 1.827 57.939 56.100 0.020 0.000 0.932 451 R CB -1.526 28.787 30.300 0.021 0.000 0.833 451 R HN 0.502 nan 8.270 nan 0.000 0.429 452 T N 2.379 116.945 114.554 0.020 0.000 2.624 452 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 452 T C 1.898 176.606 174.700 0.012 0.000 1.041 452 T CA 1.496 63.604 62.100 0.014 0.000 1.159 452 T CB -0.294 68.586 68.868 0.019 0.000 0.863 452 T HN -0.019 nan 8.240 nan 0.000 0.434 453 L N 0.642 121.874 121.223 0.015 0.000 2.083 453 L HA 0.018 4.358 4.340 -0.001 0.000 0.209 453 L C 2.620 179.494 176.870 0.007 0.000 1.083 453 L CA 1.681 56.528 54.840 0.011 0.000 0.752 453 L CB -1.076 40.990 42.059 0.012 0.000 0.899 453 L HN 0.266 nan 8.230 nan 0.000 0.433 454 A N -1.305 121.519 122.820 0.006 0.000 1.898 454 A HA -0.180 4.139 4.320 -0.001 0.000 0.214 454 A C 2.308 179.894 177.584 0.004 0.000 1.183 454 A CA 1.175 53.214 52.037 0.003 0.000 0.622 454 A CB -0.413 18.588 19.000 0.002 0.000 0.824 454 A HN 0.316 nan 8.150 nan 0.000 0.444 455 K N -0.377 120.026 120.400 0.004 0.000 2.585 455 K HA -0.145 4.174 4.320 -0.001 0.000 0.194 455 K C 1.946 178.550 176.600 0.007 0.000 1.037 455 K CA 1.236 57.524 56.287 0.003 0.000 0.964 455 K CB -0.068 32.429 32.500 -0.004 0.000 0.787 455 K HN 0.704 nan 8.250 nan 0.000 0.488 456 Q N 0.665 120.469 119.800 0.007 0.000 2.178 456 Q HA -0.100 4.239 4.340 -0.001 0.000 0.195 456 Q C 0.840 176.845 176.000 0.009 0.000 0.960 456 Q CA 0.909 56.718 55.803 0.009 0.000 0.843 456 Q CB 0.222 28.966 28.738 0.009 0.000 0.927 456 Q HN 0.401 nan 8.270 nan 0.000 0.487 457 E N -0.048 120.156 120.200 0.007 0.000 2.335 457 E HA 0.301 4.651 4.350 -0.001 0.000 0.191 457 E C -0.322 176.282 176.600 0.006 0.000 1.150 457 E CA 0.119 56.523 56.400 0.006 0.000 1.001 457 E CB 0.513 30.215 29.700 0.003 0.000 1.127 457 E HN 0.325 nan 8.360 nan 0.000 0.462 458 A N 0.000 122.824 122.820 0.007 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 458 A CA 0.000 52.042 52.037 0.008 0.000 0.836 458 A CB 0.000 19.004 19.000 0.006 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486