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 2zux_1_A DATA FIRST_RESID 39 DATA SEQUENCE ARQMEALNRG LVAVKTDGGI FVSWRFLGTE NASVLFNVYR DGQKLNAAPV DATA SEQUENCE KTTNYVDKNG SAGSTYTVRA VVNGTEQPAS EKASVWAQPY HSVPLDKPAG DATA SEQUENCE GTTPKGESYT YSANDASVGD VDGDGQYELI LKWDPSNSKD NSQDGYTGDV DATA SEQUENCE LIDAYKLDGT KLWRINLGKN IRAGAHYTQF MVYDLDGDGK AEVAMKTADG DATA SEQUENCE TKDGTGKVIG NANADYRNEQ GRVLSGPEYL TVFQGSTGKE LVTANFEPAR DATA SEQUENCE GNVSDWGDSY GNRVDRFLAG IAYLDGQRPS LIMTRGYYAK TMLVAYNFRD DATA SEQUENCE GKLSKLWTLD SSKSGNEAFA GQGNHNLSIA DVDGDGKDEI IFGSMAVDHD DATA SEQUENCE GKGMYSTGLG HGDALHTGDL DPGRPGLEVF QVHEDKNAKY GLSFRDAATG DATA SEQUENCE KILWGVYAGK DVGRGMAADI DPRYPGQEVW ANGSLYSAKG VKIGSGVPSS DATA SEQUENCE TNFGIWWDGD LLREQLDSNR IDKWDYQNGV SKNMLTASGA AANNGTKATP DATA SEQUENCE TLQADLLGDW REEVVWRTED SSALRIYTTT IPTEHRLYTL MHDPVYRLGI DATA SEQUENCE AWQNIAYNQP PHTSFFLGDG MAEQPKPNMY TP 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.738 177.584 0.256 0.000 1.274 39 A CA 0.000 52.134 52.037 0.162 0.000 0.836 39 A CB 0.000 19.129 19.000 0.215 0.000 0.831 40 R N 1.257 121.819 120.500 0.103 0.000 2.428 40 R HA 0.388 4.728 4.340 0.000 0.000 0.294 40 R C 0.102 176.230 176.300 -0.287 0.000 1.000 40 R CA -0.669 55.458 56.100 0.045 0.000 0.960 40 R CB 1.444 31.668 30.300 -0.127 0.000 1.076 40 R HN 0.850 nan 8.270 nan 0.000 0.475 41 Q N 3.575 123.161 119.800 -0.357 0.000 2.255 41 Q HA 0.001 4.341 4.340 0.000 0.000 0.280 41 Q C -0.735 175.177 176.000 -0.146 0.000 1.068 41 Q CA 0.681 56.082 55.803 -0.670 0.000 0.911 41 Q CB 0.526 29.145 28.738 -0.198 0.000 1.157 41 Q HN 0.335 nan 8.270 nan 0.000 0.380 42 M N 2.574 122.032 119.600 -0.236 0.000 2.704 42 M HA 0.363 4.843 4.480 0.000 0.000 0.284 42 M C -0.854 175.434 176.300 -0.021 0.000 1.275 42 M CA -0.783 54.490 55.300 -0.045 0.000 0.811 42 M CB 1.691 34.240 32.600 -0.085 0.000 1.741 42 M HN 0.558 nan 8.290 nan 0.000 0.458 43 E N 1.005 121.265 120.200 0.100 0.000 2.338 43 E HA 0.456 4.806 4.350 0.000 0.000 0.272 43 E C -0.303 176.383 176.600 0.143 0.000 1.029 43 E CA -0.280 56.174 56.400 0.091 0.000 0.872 43 E CB 0.977 30.728 29.700 0.084 0.000 1.015 43 E HN 0.640 nan 8.360 nan 0.000 0.417 44 A N 4.787 127.645 122.820 0.064 0.000 2.444 44 A HA 0.223 4.543 4.320 0.000 0.000 0.287 44 A C -0.399 177.208 177.584 0.037 0.000 1.195 44 A CA -0.088 51.990 52.037 0.067 0.000 0.858 44 A CB -0.281 18.745 19.000 0.043 0.000 1.117 44 A HN 0.533 nan 8.150 nan 0.000 0.521 45 L N 3.059 124.326 121.223 0.073 0.000 2.331 45 L HA 0.338 4.678 4.340 0.000 0.000 0.275 45 L C 0.619 177.497 176.870 0.014 0.000 1.022 45 L CA -1.077 53.748 54.840 -0.024 0.000 0.812 45 L CB 1.489 43.500 42.059 -0.080 0.000 1.257 45 L HN 0.922 nan 8.230 nan 0.000 0.435 46 N N 1.390 120.078 118.700 -0.020 0.000 2.328 46 N HA 0.012 4.752 4.740 0.000 0.000 0.277 46 N C 0.688 176.225 175.510 0.045 0.000 1.286 46 N CA -0.400 52.660 53.050 0.016 0.000 0.949 46 N CB 0.309 38.798 38.487 0.003 0.000 1.136 46 N HN 0.402 nan 8.380 nan 0.000 0.550 47 R N -1.466 119.068 120.500 0.057 0.000 2.237 47 R HA 0.110 4.450 4.340 0.000 0.000 0.219 47 R C 0.911 177.273 176.300 0.103 0.000 1.080 47 R CA 1.160 57.313 56.100 0.088 0.000 0.995 47 R CB -1.220 29.105 30.300 0.042 0.000 0.875 47 R HN 0.931 nan 8.270 nan 0.000 0.462 48 G N 0.331 109.173 108.800 0.069 0.000 2.225 48 G HA2 -0.305 3.655 3.960 0.000 0.000 0.267 48 G HA3 -0.305 3.655 3.960 0.000 0.000 0.267 48 G C -0.152 174.801 174.900 0.088 0.000 1.024 48 G CA 0.422 45.568 45.100 0.077 0.000 0.784 48 G HN 0.374 nan 8.290 nan 0.000 0.507 49 L N 0.192 121.462 121.223 0.078 0.000 2.499 49 L HA 0.612 4.952 4.340 0.000 0.000 0.273 49 L C 0.419 177.300 176.870 0.020 0.000 1.195 49 L CA 0.172 55.051 54.840 0.066 0.000 0.882 49 L CB 1.353 43.418 42.059 0.010 0.000 1.133 49 L HN 0.351 nan 8.230 nan 0.000 0.483 50 V N 5.213 125.099 119.914 -0.047 0.000 2.841 50 V HA 0.922 5.042 4.120 0.000 0.000 0.310 50 V C -0.871 175.050 176.094 -0.289 0.000 1.090 50 V CA 0.034 62.212 62.300 -0.204 0.000 0.930 50 V CB 1.940 33.562 31.823 -0.335 0.000 1.014 50 V HN 1.092 nan 8.190 nan 0.000 0.425 51 A N 5.252 127.850 122.820 -0.371 0.000 2.359 51 A HA 0.877 5.197 4.320 0.000 0.000 0.303 51 A C -1.560 175.837 177.584 -0.313 0.000 1.066 51 A CA -0.482 51.357 52.037 -0.329 0.000 0.730 51 A CB 1.910 20.748 19.000 -0.270 0.000 1.211 51 A HN 1.043 nan 8.150 nan 0.000 0.439 52 V N 2.532 122.335 119.914 -0.186 0.000 2.577 52 V HA 0.371 4.491 4.120 0.000 0.000 0.303 52 V C 0.119 176.240 176.094 0.045 0.000 1.042 52 V CA -0.881 61.376 62.300 -0.072 0.000 0.872 52 V CB 1.843 33.589 31.823 -0.129 0.000 0.998 52 V HN 0.948 nan 8.190 nan 0.000 0.423 53 K N 3.039 123.495 120.400 0.093 0.000 2.412 53 K HA 0.452 4.772 4.320 0.000 0.000 0.281 53 K C 0.116 176.757 176.600 0.069 0.000 1.027 53 K CA 0.158 56.497 56.287 0.086 0.000 0.989 53 K CB 0.701 33.257 32.500 0.093 0.000 0.935 53 K HN 1.003 nan 8.250 nan 0.000 0.475 54 T N -0.163 114.428 114.554 0.061 0.000 2.887 54 T HA 0.202 4.552 4.350 0.000 0.000 0.292 54 T C 0.443 175.169 174.700 0.042 0.000 1.087 54 T CA -0.893 61.233 62.100 0.044 0.000 1.009 54 T CB 1.250 70.136 68.868 0.031 0.000 1.203 54 T HN 0.450 nan 8.240 nan 0.000 0.518 55 D N 0.868 121.288 120.400 0.033 0.000 2.221 55 D HA 0.043 4.684 4.640 0.000 0.000 0.204 55 D C 1.934 178.250 176.300 0.027 0.000 0.982 55 D CA 1.603 55.621 54.000 0.029 0.000 0.857 55 D CB -0.481 40.333 40.800 0.025 0.000 0.934 55 D HN 0.829 nan 8.370 nan 0.000 0.475 56 G N -0.981 107.834 108.800 0.025 0.000 3.284 56 G HA2 0.449 4.410 3.960 0.000 0.000 0.236 56 G HA3 0.449 4.410 3.960 0.000 0.000 0.236 56 G C 0.713 175.629 174.900 0.026 0.000 1.158 56 G CA 0.389 45.501 45.100 0.020 0.000 0.774 56 G HN 0.557 nan 8.290 nan 0.000 0.545 57 G N -0.081 108.743 108.800 0.041 0.000 2.331 57 G HA2 -0.024 3.937 3.960 0.000 0.000 0.479 57 G HA3 -0.024 3.937 3.960 0.000 0.000 0.479 57 G C -0.970 173.970 174.900 0.066 0.000 1.262 57 G CA -0.869 44.263 45.100 0.053 0.000 1.029 57 G HN 0.259 nan 8.290 nan 0.000 0.487 58 I N 0.934 121.545 120.570 0.070 0.000 2.312 58 I HA 0.383 4.553 4.170 0.000 0.000 0.291 58 I C 0.205 176.315 176.117 -0.012 0.000 1.031 58 I CA -0.552 60.770 61.300 0.037 0.000 1.293 58 I CB 0.476 38.502 38.000 0.044 0.000 1.403 58 I HN 0.470 nan 8.210 nan 0.000 0.484 59 F N 7.792 127.663 119.950 -0.133 0.000 2.445 59 F HA 0.404 4.931 4.527 0.000 0.000 0.359 59 F C -0.213 175.457 175.800 -0.218 0.000 1.101 59 F CA -0.162 57.743 58.000 -0.159 0.000 1.177 59 F CB 0.782 39.684 39.000 -0.163 0.000 1.110 59 F HN 0.153 nan 8.300 nan 0.000 0.522 60 V N 5.748 125.201 119.914 -0.768 0.000 2.540 60 V HA 0.612 4.733 4.120 0.000 0.000 0.302 60 V C -0.562 175.176 176.094 -0.594 0.000 1.035 60 V CA -0.449 61.540 62.300 -0.519 0.000 0.873 60 V CB 1.541 33.167 31.823 -0.327 0.000 0.992 60 V HN 0.881 nan 8.190 nan 0.000 0.428 61 S N 3.839 119.359 115.700 -0.301 0.000 2.588 61 S HA 0.932 5.402 4.470 0.000 0.000 0.275 61 S C -1.416 173.206 174.600 0.037 0.000 1.130 61 S CA -0.719 57.309 58.200 -0.288 0.000 0.855 61 S CB 2.427 65.435 63.200 -0.320 0.000 1.116 61 S HN 1.191 nan 8.310 nan 0.000 0.472 62 W N -0.051 121.117 121.300 -0.219 0.000 2.959 62 W HA 0.738 5.399 4.660 0.000 0.000 0.358 62 W C -1.369 175.068 176.519 -0.137 0.000 1.228 62 W CA -1.227 56.005 57.345 -0.188 0.000 1.183 62 W CB 0.499 29.804 29.460 -0.258 0.000 1.467 62 W HN 0.747 nan 8.180 nan 0.000 0.578 63 R N 1.189 121.776 120.500 0.144 0.000 2.441 63 R HA 0.417 4.757 4.340 0.000 0.000 0.284 63 R C -1.116 175.325 176.300 0.235 0.000 1.070 63 R CA -0.770 55.405 56.100 0.125 0.000 1.047 63 R CB 0.884 31.266 30.300 0.137 0.000 1.016 63 R HN 0.393 nan 8.270 nan 0.000 0.477 64 F N 4.427 124.407 119.950 0.049 0.000 2.371 64 F HA 0.297 4.824 4.527 0.000 0.000 0.363 64 F C -0.658 175.324 175.800 0.303 0.000 1.122 64 F CA -1.146 56.952 58.000 0.164 0.000 1.129 64 F CB 0.254 39.240 39.000 -0.024 0.000 1.173 64 F HN 0.283 nan 8.300 nan 0.000 0.489 65 L N 5.491 126.884 121.223 0.284 0.000 2.395 65 L HA 0.304 4.645 4.340 0.000 0.000 0.269 65 L C 1.666 178.652 176.870 0.194 0.000 1.133 65 L CA -0.169 54.840 54.840 0.281 0.000 0.812 65 L CB 1.023 43.250 42.059 0.280 0.000 1.125 65 L HN 0.807 nan 8.230 nan 0.000 0.452 66 G N -0.022 108.943 108.800 0.274 0.000 2.498 66 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 66 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 66 G C 1.234 175.936 174.900 -0.329 0.000 1.119 66 G CA 1.051 45.969 45.100 -0.303 0.000 0.766 66 G HN 0.758 nan 8.290 nan 0.000 0.552 67 T N -1.870 112.604 114.554 -0.133 0.000 3.129 67 T HA 0.249 4.599 4.350 0.000 0.000 0.251 67 T C 0.564 175.264 174.700 -0.000 0.000 1.117 67 T CA -0.072 61.983 62.100 -0.075 0.000 1.034 67 T CB 0.272 69.128 68.868 -0.020 0.000 0.968 67 T HN 0.363 nan 8.240 nan 0.000 0.526 68 E N 1.800 122.023 120.200 0.039 0.000 2.204 68 E HA 0.387 4.737 4.350 0.000 0.000 0.276 68 E C -0.509 176.205 176.600 0.191 0.000 0.974 68 E CA -0.973 55.510 56.400 0.139 0.000 0.815 68 E CB 0.789 30.649 29.700 0.268 0.000 1.119 68 E HN 0.168 nan 8.360 nan 0.000 0.393 69 N N 0.670 119.496 118.700 0.210 0.000 2.445 69 N HA 0.085 4.825 4.740 0.000 0.000 0.264 69 N C 0.614 176.333 175.510 0.348 0.000 1.227 69 N CA -0.005 53.181 53.050 0.226 0.000 0.963 69 N CB 1.023 39.584 38.487 0.124 0.000 1.188 69 N HN 0.604 nan 8.380 nan 0.000 0.491 70 A N 0.405 123.396 122.820 0.286 0.000 2.076 70 A HA -0.149 4.171 4.320 0.000 0.000 0.220 70 A C 1.809 179.439 177.584 0.077 0.000 1.160 70 A CA 1.845 54.010 52.037 0.213 0.000 0.653 70 A CB -0.626 18.450 19.000 0.126 0.000 0.801 70 A HN 0.673 nan 8.150 nan 0.000 0.455 71 S N -0.890 114.850 115.700 0.068 0.000 2.603 71 S HA 0.178 4.648 4.470 0.000 0.000 0.220 71 S C 0.454 175.034 174.600 -0.033 0.000 0.967 71 S CA 0.129 58.333 58.200 0.008 0.000 0.920 71 S CB -0.639 62.567 63.200 0.011 0.000 0.773 71 S HN 0.123 nan 8.310 nan 0.000 0.529 72 V N 2.721 122.624 119.914 -0.018 0.000 2.572 72 V HA 0.317 4.437 4.120 0.000 0.000 0.291 72 V C 0.241 176.136 176.094 -0.331 0.000 1.039 72 V CA -0.018 62.194 62.300 -0.146 0.000 1.055 72 V CB 0.567 32.360 31.823 -0.049 0.000 0.969 72 V HN 0.444 nan 8.190 nan 0.000 0.482 73 L N 4.050 125.015 121.223 -0.432 0.000 2.235 73 L HA 0.744 5.084 4.340 0.000 0.000 0.260 73 L C -1.113 175.347 176.870 -0.683 0.000 1.025 73 L CA -0.671 53.928 54.840 -0.402 0.000 0.836 73 L CB 2.025 43.998 42.059 -0.145 0.000 1.395 73 L HN 0.421 nan 8.230 nan 0.000 0.443 74 F N -0.694 119.304 119.950 0.080 0.000 2.578 74 F HA 0.443 4.971 4.527 0.000 0.000 0.311 74 F C -0.218 175.563 175.800 -0.031 0.000 1.094 74 F CA -0.844 57.185 58.000 0.049 0.000 0.923 74 F CB 1.743 40.839 39.000 0.160 0.000 1.230 74 F HN 0.253 nan 8.300 nan 0.000 0.450 75 N N 1.171 119.935 118.700 0.107 0.000 2.399 75 N HA 0.588 5.328 4.740 0.000 0.000 0.295 75 N C -1.252 174.163 175.510 -0.158 0.000 1.048 75 N CA -0.443 52.578 53.050 -0.048 0.000 0.886 75 N CB 2.425 40.918 38.487 0.009 0.000 1.185 75 N HN 0.243 nan 8.380 nan 0.000 0.487 76 V N 2.853 122.528 119.914 -0.398 0.000 2.398 76 V HA 0.401 4.521 4.120 0.000 0.000 0.286 76 V C -0.880 174.960 176.094 -0.425 0.000 1.026 76 V CA -0.586 61.454 62.300 -0.434 0.000 0.868 76 V CB 0.308 31.721 31.823 -0.685 0.000 0.982 76 V HN 0.500 nan 8.190 nan 0.000 0.443 77 Y N 3.337 123.536 120.300 -0.167 0.000 2.376 77 Y HA 0.576 5.126 4.550 0.000 0.000 0.340 77 Y C 0.366 176.190 175.900 -0.128 0.000 0.965 77 Y CA -0.659 57.367 58.100 -0.123 0.000 1.078 77 Y CB 1.816 40.204 38.460 -0.119 0.000 1.193 77 Y HN 0.480 nan 8.280 nan 0.000 0.452 78 R N 3.624 124.078 120.500 -0.077 0.000 2.246 78 R HA 0.168 4.508 4.340 0.000 0.000 0.332 78 R C -0.829 175.345 176.300 -0.209 0.000 0.974 78 R CA -0.136 55.748 56.100 -0.360 0.000 0.837 78 R CB 0.207 30.285 30.300 -0.371 0.000 1.145 78 R HN 0.870 nan 8.270 nan 0.000 0.467 79 D N 3.828 124.096 120.400 -0.219 0.000 2.689 79 D HA -0.200 4.440 4.640 0.000 0.000 0.237 79 D C 0.639 176.909 176.300 -0.049 0.000 1.148 79 D CA 1.606 55.533 54.000 -0.121 0.000 0.656 79 D CB -0.736 39.992 40.800 -0.120 0.000 1.050 79 D HN 1.099 nan 8.370 nan 0.000 0.426 80 G N -0.195 108.602 108.800 -0.005 0.000 2.195 80 G HA2 -0.332 3.628 3.960 0.000 0.000 0.246 80 G HA3 -0.332 3.628 3.960 0.000 0.000 0.246 80 G C 0.175 175.185 174.900 0.182 0.000 0.984 80 G CA 0.413 45.531 45.100 0.030 0.000 0.633 80 G HN 0.473 nan 8.290 nan 0.000 0.525 81 Q N 0.208 120.103 119.800 0.157 0.000 2.322 81 Q HA 0.514 4.854 4.340 0.000 0.000 0.265 81 Q C 0.035 176.012 176.000 -0.038 0.000 0.985 81 Q CA -0.645 55.218 55.803 0.100 0.000 0.849 81 Q CB 1.783 30.527 28.738 0.009 0.000 1.274 81 Q HN 0.291 nan 8.270 nan 0.000 0.449 82 K N 2.796 123.049 120.400 -0.244 0.000 2.412 82 K HA 0.085 4.405 4.320 0.000 0.000 0.281 82 K C 0.224 176.613 176.600 -0.351 0.000 1.027 82 K CA 0.131 55.998 56.287 -0.701 0.000 0.989 82 K CB 0.503 32.581 32.500 -0.703 0.000 0.935 82 K HN 0.652 nan 8.250 nan 0.000 0.475 83 L N 2.589 123.594 121.223 -0.363 0.000 2.316 83 L HA 0.021 4.361 4.340 0.000 0.000 0.207 83 L C 0.626 177.439 176.870 -0.096 0.000 1.070 83 L CA -0.104 54.635 54.840 -0.167 0.000 0.820 83 L CB -0.229 41.747 42.059 -0.139 0.000 0.992 83 L HN 0.672 nan 8.230 nan 0.000 0.466 84 N N 0.915 119.496 118.700 -0.198 0.000 2.438 84 N HA 0.205 4.946 4.740 0.000 0.000 0.282 84 N C 0.526 175.993 175.510 -0.072 0.000 1.037 84 N CA 0.259 53.270 53.050 -0.065 0.000 0.942 84 N CB 2.089 40.529 38.487 -0.080 0.000 1.136 84 N HN -0.045 nan 8.380 nan 0.000 0.481 85 A N 2.089 124.899 122.820 -0.017 0.000 1.930 85 A HA 0.217 4.537 4.320 0.000 0.000 0.217 85 A C 0.975 178.547 177.584 -0.021 0.000 1.175 85 A CA 1.368 53.392 52.037 -0.022 0.000 0.627 85 A CB -0.386 18.612 19.000 -0.003 0.000 0.815 85 A HN 0.919 nan 8.150 nan 0.000 0.443 86 A N -0.735 122.081 122.820 -0.006 0.000 2.365 86 A HA 0.666 4.986 4.320 0.000 0.000 0.318 86 A C -2.956 174.630 177.584 0.003 0.000 1.091 86 A CA -1.982 50.053 52.037 -0.004 0.000 0.763 86 A CB 0.582 19.585 19.000 0.005 0.000 1.248 86 A HN 0.073 nan 8.150 nan 0.000 0.442 87 P HA 0.175 nan 4.420 nan 0.000 0.264 87 P C 0.001 177.332 177.300 0.053 0.000 1.183 87 P CA 0.227 63.336 63.100 0.014 0.000 0.763 87 P CB 0.400 32.095 31.700 -0.010 0.000 0.807 88 V N 1.287 121.274 119.914 0.121 0.000 2.716 88 V HA 0.382 4.502 4.120 0.000 0.000 0.304 88 V C 1.155 177.364 176.094 0.192 0.000 1.053 88 V CA -0.263 62.137 62.300 0.167 0.000 0.984 88 V CB 1.864 33.840 31.823 0.256 0.000 1.021 88 V HN 0.471 nan 8.190 nan 0.000 0.467 89 K N 1.089 121.554 120.400 0.108 0.000 2.108 89 K HA 0.118 4.438 4.320 0.000 0.000 0.204 89 K C 1.237 177.857 176.600 0.034 0.000 1.036 89 K CA 0.719 57.033 56.287 0.045 0.000 0.965 89 K CB 0.143 32.614 32.500 -0.048 0.000 0.804 89 K HN 0.841 nan 8.250 nan 0.000 0.454 90 T N 0.745 115.279 114.554 -0.034 0.000 2.932 90 T HA -0.021 4.329 4.350 0.000 0.000 0.312 90 T C 0.621 175.135 174.700 -0.309 0.000 1.071 90 T CA 0.221 62.233 62.100 -0.148 0.000 1.128 90 T CB 0.872 69.662 68.868 -0.130 0.000 0.984 90 T HN 0.460 nan 8.240 nan 0.000 0.549 91 T N 1.838 116.024 114.554 -0.614 0.000 3.284 91 T HA 0.271 4.622 4.350 0.000 0.000 0.249 91 T C 0.067 173.749 174.700 -1.695 0.000 0.944 91 T CA -0.880 60.281 62.100 -1.565 0.000 0.919 91 T CB -0.765 67.219 68.868 -1.473 0.000 1.089 91 T HN 0.671 nan 8.240 nan 0.000 0.576 92 N N 0.019 118.118 118.700 -1.002 0.000 2.284 92 N HA 0.472 5.212 4.740 0.000 0.000 0.289 92 N C -1.836 173.476 175.510 -0.330 0.000 1.179 92 N CA -1.104 51.493 53.050 -0.755 0.000 0.774 92 N CB 1.556 39.712 38.487 -0.552 0.000 1.548 92 N HN 0.273 nan 8.380 nan 0.000 0.473 93 Y N -0.043 119.986 120.300 -0.451 0.000 2.482 93 Y HA 0.501 5.051 4.550 0.000 0.000 0.334 93 Y C -1.813 173.917 175.900 -0.284 0.000 1.091 93 Y CA -0.784 57.197 58.100 -0.198 0.000 1.027 93 Y CB 1.779 40.268 38.460 0.049 0.000 1.306 93 Y HN 0.429 nan 8.280 nan 0.000 0.446 94 V N 5.081 124.682 119.914 -0.522 0.000 2.347 94 V HA 0.226 4.346 4.120 0.000 0.000 0.280 94 V C -0.810 175.125 176.094 -0.265 0.000 1.021 94 V CA -0.599 61.534 62.300 -0.279 0.000 0.847 94 V CB 1.277 33.009 31.823 -0.151 0.000 0.990 94 V HN 0.696 nan 8.190 nan 0.000 0.444 95 D N 4.158 124.567 120.400 0.016 0.000 2.428 95 D HA 0.242 4.882 4.640 0.000 0.000 0.221 95 D C 1.011 177.367 176.300 0.094 0.000 1.123 95 D CA -0.231 53.866 54.000 0.162 0.000 0.869 95 D CB 1.177 42.175 40.800 0.330 0.000 1.032 95 D HN 0.428 nan 8.370 nan 0.000 0.506 96 K N 2.043 122.473 120.400 0.049 0.000 2.283 96 K HA -0.027 4.293 4.320 0.000 0.000 0.202 96 K C 0.788 177.424 176.600 0.060 0.000 1.048 96 K CA 0.619 56.928 56.287 0.038 0.000 0.948 96 K CB 0.277 32.784 32.500 0.011 0.000 0.742 96 K HN 0.318 nan 8.250 nan 0.000 0.458 97 N N 0.207 118.956 118.700 0.082 0.000 2.280 97 N HA 0.011 4.751 4.740 0.000 0.000 0.192 97 N C 0.538 176.102 175.510 0.090 0.000 1.109 97 N CA 0.205 53.300 53.050 0.073 0.000 0.855 97 N CB 0.512 39.036 38.487 0.062 0.000 0.974 97 N HN 0.096 nan 8.380 nan 0.000 0.482 98 G N 0.301 109.186 108.800 0.141 0.000 2.569 98 G HA2 0.370 4.330 3.960 0.000 0.000 0.249 98 G HA3 0.370 4.330 3.960 0.000 0.000 0.249 98 G C 0.158 175.138 174.900 0.132 0.000 1.216 98 G CA -0.117 45.091 45.100 0.180 0.000 0.845 98 G HN 0.212 nan 8.290 nan 0.000 0.568 99 S N -0.921 114.851 115.700 0.119 0.000 2.709 99 S HA 0.646 5.116 4.470 0.000 0.000 0.302 99 S C 1.325 175.992 174.600 0.112 0.000 1.127 99 S CA 0.167 58.422 58.200 0.093 0.000 0.905 99 S CB 1.531 64.765 63.200 0.058 0.000 1.151 99 S HN 1.352 nan 8.310 nan 0.000 0.510 100 A N 0.332 123.206 122.820 0.091 0.000 2.070 100 A HA 0.205 4.525 4.320 0.000 0.000 0.220 100 A C 1.847 179.486 177.584 0.092 0.000 1.159 100 A CA 1.571 53.666 52.037 0.097 0.000 0.656 100 A CB -1.473 17.571 19.000 0.074 0.000 0.800 100 A HN 1.273 nan 8.150 nan 0.000 0.453 101 G N -0.971 107.869 108.800 0.067 0.000 3.042 101 G HA2 0.286 4.247 3.960 0.000 0.000 0.212 101 G HA3 0.286 4.247 3.960 0.000 0.000 0.212 101 G C 0.531 175.451 174.900 0.032 0.000 1.166 101 G CA 0.440 45.569 45.100 0.049 0.000 0.767 101 G HN 0.387 nan 8.290 nan 0.000 0.546 102 S N 0.450 116.173 115.700 0.038 0.000 2.585 102 S HA 0.461 4.931 4.470 0.000 0.000 0.273 102 S C 0.510 175.077 174.600 -0.055 0.000 1.339 102 S CA -0.002 58.163 58.200 -0.058 0.000 1.028 102 S CB 1.210 64.350 63.200 -0.101 0.000 0.906 102 S HN 0.502 nan 8.310 nan 0.000 0.528 103 T N 0.124 114.555 114.554 -0.204 0.000 2.887 103 T HA 0.706 5.056 4.350 0.000 0.000 0.288 103 T C -1.306 173.195 174.700 -0.331 0.000 1.021 103 T CA -0.651 61.384 62.100 -0.108 0.000 1.000 103 T CB 0.678 69.525 68.868 -0.035 0.000 1.034 103 T HN 0.445 nan 8.240 nan 0.000 0.467 104 Y N 0.564 120.861 120.300 -0.004 0.000 2.499 104 Y HA 0.680 5.230 4.550 0.000 0.000 0.347 104 Y C 0.777 176.646 175.900 -0.052 0.000 0.987 104 Y CA -0.708 57.374 58.100 -0.029 0.000 1.044 104 Y CB 2.769 41.201 38.460 -0.047 0.000 1.245 104 Y HN 1.074 nan 8.280 nan 0.000 0.461 105 T N -1.247 113.354 114.554 0.079 0.000 2.896 105 T HA 0.837 5.187 4.350 0.000 0.000 0.297 105 T C -1.455 173.205 174.700 -0.066 0.000 1.108 105 T CA -0.852 61.237 62.100 -0.019 0.000 1.004 105 T CB 1.581 70.404 68.868 -0.074 0.000 1.159 105 T HN 0.364 nan 8.240 nan 0.000 0.499 106 V N 1.122 120.928 119.914 -0.180 0.000 2.823 106 V HA 0.662 4.782 4.120 0.000 0.000 0.312 106 V C -0.470 175.560 176.094 -0.107 0.000 1.072 106 V CA -1.040 61.090 62.300 -0.282 0.000 0.937 106 V CB 2.103 33.428 31.823 -0.829 0.000 1.013 106 V HN 0.870 nan 8.190 nan 0.000 0.430 107 R N 2.397 122.910 120.500 0.022 0.000 2.480 107 R HA 0.745 5.085 4.340 0.000 0.000 0.306 107 R C -0.362 176.023 176.300 0.141 0.000 0.958 107 R CA -0.508 55.629 56.100 0.060 0.000 0.861 107 R CB 2.063 32.385 30.300 0.037 0.000 1.171 107 R HN 0.832 nan 8.270 nan 0.000 0.445 108 A N 2.597 125.500 122.820 0.137 0.000 2.407 108 A HA 0.356 4.676 4.320 0.000 0.000 0.248 108 A C -0.018 177.512 177.584 -0.090 0.000 1.082 108 A CA -0.273 51.745 52.037 -0.032 0.000 0.785 108 A CB 0.641 19.648 19.000 0.011 0.000 1.020 108 A HN 0.443 nan 8.150 nan 0.000 0.489 109 V N 3.215 123.011 119.914 -0.197 0.000 2.350 109 V HA 0.406 4.527 4.120 0.000 0.000 0.285 109 V C -0.481 175.541 176.094 -0.120 0.000 1.014 109 V CA -0.371 61.860 62.300 -0.115 0.000 0.831 109 V CB 1.135 32.903 31.823 -0.092 0.000 1.000 109 V HN 0.611 nan 8.190 nan 0.000 0.433 110 V N 4.260 124.135 119.914 -0.065 0.000 2.487 110 V HA 0.455 4.575 4.120 0.000 0.000 0.298 110 V C 0.625 176.704 176.094 -0.025 0.000 1.028 110 V CA -0.802 61.472 62.300 -0.042 0.000 0.860 110 V CB 1.354 33.165 31.823 -0.019 0.000 0.991 110 V HN 0.990 nan 8.190 nan 0.000 0.427 111 N N 3.690 122.378 118.700 -0.020 0.000 2.716 111 N HA -0.222 4.518 4.740 0.000 0.000 0.250 111 N C 1.083 176.585 175.510 -0.014 0.000 1.033 111 N CA 1.843 54.886 53.050 -0.013 0.000 0.727 111 N CB -0.930 37.553 38.487 -0.005 0.000 0.950 111 N HN 1.624 nan 8.380 nan 0.000 0.541 112 G N -2.892 105.895 108.800 -0.021 0.000 2.179 112 G HA2 -0.278 3.682 3.960 0.000 0.000 0.260 112 G HA3 -0.278 3.682 3.960 0.000 0.000 0.260 112 G C 0.184 175.075 174.900 -0.015 0.000 0.977 112 G CA 0.623 45.712 45.100 -0.018 0.000 0.641 112 G HN 0.695 nan 8.290 nan 0.000 0.533 113 T N 0.768 115.312 114.554 -0.017 0.000 2.779 113 T HA 0.518 4.868 4.350 0.000 0.000 0.280 113 T C -0.131 174.560 174.700 -0.015 0.000 0.987 113 T CA -0.398 61.694 62.100 -0.012 0.000 0.966 113 T CB 2.250 71.112 68.868 -0.009 0.000 0.933 113 T HN 0.372 nan 8.240 nan 0.000 0.442 114 E N 2.866 123.062 120.200 -0.008 0.000 2.344 114 E HA 0.083 4.434 4.350 0.000 0.000 0.270 114 E C -0.019 176.575 176.600 -0.011 0.000 1.021 114 E CA -0.483 55.915 56.400 -0.004 0.000 0.887 114 E CB 0.508 30.217 29.700 0.015 0.000 0.997 114 E HN 0.390 nan 8.360 nan 0.000 0.429 115 Q N 3.224 123.018 119.800 -0.010 0.000 2.199 115 Q HA 0.378 4.719 4.340 0.000 0.000 0.232 115 Q C -2.161 173.825 176.000 -0.024 0.000 0.969 115 Q CA -2.039 53.759 55.803 -0.008 0.000 0.925 115 Q CB 0.152 28.896 28.738 0.010 0.000 1.198 115 Q HN 0.475 nan 8.270 nan 0.000 0.494 116 P HA 0.024 nan 4.420 nan 0.000 0.268 116 P C -0.961 176.305 177.300 -0.056 0.000 1.208 116 P CA 0.129 63.201 63.100 -0.046 0.000 0.777 116 P CB 0.326 32.010 31.700 -0.028 0.000 0.875 117 A N 2.556 125.316 122.820 -0.100 0.000 2.483 117 A HA 0.342 4.662 4.320 0.000 0.000 0.238 117 A C 0.888 178.432 177.584 -0.066 0.000 1.070 117 A CA 0.071 52.038 52.037 -0.118 0.000 0.770 117 A CB -0.553 18.342 19.000 -0.175 0.000 1.008 117 A HN 0.643 nan 8.150 nan 0.000 0.497 118 S N 1.722 117.385 115.700 -0.063 0.000 2.598 118 S HA 0.226 4.696 4.470 0.000 0.000 0.256 118 S C 0.473 175.053 174.600 -0.033 0.000 1.350 118 S CA -0.019 58.158 58.200 -0.039 0.000 0.984 118 S CB 0.172 63.335 63.200 -0.062 0.000 0.930 118 S HN 0.957 nan 8.310 nan 0.000 0.577 119 E N 0.482 120.675 120.200 -0.013 0.000 2.436 119 E HA 0.011 4.361 4.350 0.000 0.000 0.262 119 E C -0.716 175.884 176.600 -0.000 0.000 1.063 119 E CA 0.101 56.500 56.400 -0.002 0.000 0.944 119 E CB 0.213 29.920 29.700 0.012 0.000 0.950 119 E HN 0.594 nan 8.360 nan 0.000 0.444 120 K N 0.685 121.090 120.400 0.008 0.000 2.298 120 K HA 0.411 4.731 4.320 0.000 0.000 0.280 120 K C -0.472 176.162 176.600 0.055 0.000 1.032 120 K CA -0.225 56.075 56.287 0.023 0.000 0.958 120 K CB 1.149 33.658 32.500 0.014 0.000 0.978 120 K HN 0.628 nan 8.250 nan 0.000 0.472 121 A N 1.979 124.853 122.820 0.089 0.000 2.318 121 A HA 0.404 4.724 4.320 0.000 0.000 0.317 121 A C -0.170 177.521 177.584 0.178 0.000 1.159 121 A CA -0.739 51.373 52.037 0.125 0.000 0.799 121 A CB 0.913 19.975 19.000 0.102 0.000 1.194 121 A HN 0.725 nan 8.150 nan 0.000 0.479 122 S N 1.054 116.862 115.700 0.180 0.000 2.669 122 S HA 0.640 5.110 4.470 0.000 0.000 0.270 122 S C -0.064 174.696 174.600 0.266 0.000 1.225 122 S CA -0.637 57.685 58.200 0.203 0.000 0.991 122 S CB 1.141 64.439 63.200 0.163 0.000 0.987 122 S HN 0.732 nan 8.310 nan 0.000 0.552 123 V N 1.789 121.859 119.914 0.261 0.000 2.461 123 V HA 0.185 4.305 4.120 0.000 0.000 0.275 123 V C -0.527 175.778 176.094 0.350 0.000 1.047 123 V CA -0.668 61.789 62.300 0.261 0.000 0.955 123 V CB -0.014 31.945 31.823 0.226 0.000 0.988 123 V HN 0.825 nan 8.190 nan 0.000 0.471 124 W N 3.508 124.844 121.300 0.060 0.000 2.381 124 W HA 0.381 5.041 4.660 0.000 0.000 0.321 124 W C 1.087 177.608 176.519 0.003 0.000 1.407 124 W CA -0.639 56.728 57.345 0.038 0.000 1.274 124 W CB -0.066 29.413 29.460 0.031 0.000 1.310 124 W HN 0.710 nan 8.180 nan 0.000 0.551 125 A N 3.282 126.202 122.820 0.167 0.000 2.167 125 A HA -0.002 4.318 4.320 0.000 0.000 0.214 125 A C 0.803 178.385 177.584 -0.002 0.000 1.151 125 A CA 0.730 52.810 52.037 0.071 0.000 0.735 125 A CB -0.063 18.955 19.000 0.031 0.000 0.802 125 A HN 0.666 nan 8.150 nan 0.000 0.467 126 Q N -1.572 118.186 119.800 -0.069 0.000 2.416 126 Q HA 0.347 4.687 4.340 0.000 0.000 0.279 126 Q C -2.244 173.684 176.000 -0.119 0.000 1.101 126 Q CA -2.228 53.425 55.803 -0.249 0.000 0.830 126 Q CB 1.649 29.968 28.738 -0.699 0.000 1.402 126 Q HN -0.048 nan 8.270 nan 0.000 0.445 127 P HA -0.098 nan 4.420 nan 0.000 0.234 127 P C -1.074 176.372 177.300 0.244 0.000 1.167 127 P CA 1.191 64.380 63.100 0.149 0.000 0.763 127 P CB -0.024 31.822 31.700 0.242 0.000 0.835 128 Y N -3.555 116.743 120.300 -0.004 0.000 2.570 128 Y HA 0.625 5.175 4.550 0.000 0.000 0.345 128 Y C -0.259 175.397 175.900 -0.407 0.000 1.014 128 Y CA -1.954 55.992 58.100 -0.258 0.000 1.063 128 Y CB 0.654 38.543 38.460 -0.952 0.000 1.272 128 Y HN -0.188 nan 8.280 nan 0.000 0.477 129 H N 1.365 120.023 119.070 -0.686 0.000 2.476 129 H HA 0.514 5.070 4.556 0.000 0.000 0.328 129 H C -1.190 173.960 175.328 -0.297 0.000 1.073 129 H CA -0.493 55.019 56.048 -0.894 0.000 1.229 129 H CB 1.560 30.418 29.762 -1.505 0.000 1.432 129 H HN 0.825 nan 8.280 nan 0.000 0.477 130 S N 4.279 119.562 115.700 -0.695 0.000 2.475 130 S HA 0.221 4.691 4.470 0.000 0.000 0.281 130 S C -0.200 174.072 174.600 -0.548 0.000 1.198 130 S CA -0.757 57.194 58.200 -0.414 0.000 1.063 130 S CB 1.225 64.309 63.200 -0.193 0.000 0.972 130 S HN 0.421 nan 8.310 nan 0.000 0.486 131 V N 6.656 126.391 119.914 -0.299 0.000 2.311 131 V HA 0.314 4.434 4.120 0.000 0.000 0.275 131 V C -2.053 173.909 176.094 -0.221 0.000 1.022 131 V CA -2.093 60.076 62.300 -0.217 0.000 0.830 131 V CB 0.755 32.488 31.823 -0.150 0.000 1.012 131 V HN 0.658 nan 8.190 nan 0.000 0.452 132 P HA 0.222 nan 4.420 nan 0.000 0.268 132 P C -0.728 176.469 177.300 -0.172 0.000 1.205 132 P CA 0.047 63.076 63.100 -0.119 0.000 0.771 132 P CB 1.180 32.849 31.700 -0.052 0.000 0.858 133 L N 1.838 122.992 121.223 -0.115 0.000 2.330 133 L HA 0.397 4.737 4.340 0.000 0.000 0.271 133 L C 0.606 177.571 176.870 0.158 0.000 1.013 133 L CA -0.745 54.057 54.840 -0.063 0.000 0.816 133 L CB 1.288 43.386 42.059 0.066 0.000 1.287 133 L HN 0.259 nan 8.230 nan 0.000 0.435 134 D N 2.094 122.684 120.400 0.317 0.000 2.479 134 D HA 0.074 4.714 4.640 0.000 0.000 0.218 134 D C -0.141 176.143 176.300 -0.026 0.000 1.131 134 D CA -0.320 53.768 54.000 0.147 0.000 0.916 134 D CB 0.476 41.353 40.800 0.129 0.000 1.022 134 D HN 0.246 nan 8.370 nan 0.000 0.515 135 K N 4.155 124.497 120.400 -0.096 0.000 2.412 135 K HA 0.211 4.531 4.320 0.000 0.000 0.284 135 K C -2.206 174.096 176.600 -0.496 0.000 1.046 135 K CA -1.308 54.740 56.287 -0.398 0.000 0.999 135 K CB 0.506 32.948 32.500 -0.097 0.000 0.941 135 K HN 0.250 nan 8.250 nan 0.000 0.474 136 P HA 0.047 nan 4.420 nan 0.000 0.271 136 P C -1.137 176.010 177.300 -0.254 0.000 1.216 136 P CA -0.353 62.378 63.100 -0.614 0.000 0.776 136 P CB 1.100 32.156 31.700 -1.074 0.000 0.881 137 A N 2.904 125.640 122.820 -0.140 0.000 2.445 137 A HA 0.490 4.810 4.320 0.000 0.000 0.242 137 A C 1.071 178.699 177.584 0.073 0.000 1.075 137 A CA 0.322 52.335 52.037 -0.039 0.000 0.777 137 A CB -0.497 18.468 19.000 -0.058 0.000 1.013 137 A HN 0.627 nan 8.150 nan 0.000 0.493 138 G N -0.203 108.598 108.800 0.001 0.000 2.684 138 G HA2 0.530 4.490 3.960 0.000 0.000 0.255 138 G HA3 0.530 4.490 3.960 0.000 0.000 0.255 138 G C 0.326 175.027 174.900 -0.332 0.000 1.219 138 G CA 0.193 45.200 45.100 -0.155 0.000 0.901 138 G HN 1.439 nan 8.290 nan 0.000 0.548 139 G N -2.117 106.138 108.800 -0.907 0.000 2.870 139 G HA2 0.633 4.593 3.960 0.000 0.000 0.299 139 G HA3 0.633 4.593 3.960 0.000 0.000 0.299 139 G C -1.265 173.101 174.900 -0.890 0.000 1.324 139 G CA -0.341 44.288 45.100 -0.784 0.000 0.808 139 G HN 0.757 nan 8.290 nan 0.000 0.535 140 T N 0.475 114.841 114.554 -0.314 0.000 2.886 140 T HA 0.618 4.968 4.350 0.000 0.000 0.292 140 T C 0.374 175.165 174.700 0.153 0.000 1.012 140 T CA -0.220 61.841 62.100 -0.064 0.000 0.982 140 T CB 1.493 70.316 68.868 -0.076 0.000 1.018 140 T HN 0.949 nan 8.240 nan 0.000 0.451 141 T N 0.283 114.945 114.554 0.179 0.000 2.816 141 T HA 0.337 4.687 4.350 0.000 0.000 0.282 141 T C -1.761 172.870 174.700 -0.115 0.000 0.993 141 T CA -1.638 60.495 62.100 0.054 0.000 0.994 141 T CB 0.304 69.186 68.868 0.024 0.000 1.025 141 T HN 0.171 nan 8.240 nan 0.000 0.529 142 P HA 0.015 nan 4.420 nan 0.000 0.223 142 P C 1.070 178.195 177.300 -0.292 0.000 1.144 142 P CA 0.748 63.645 63.100 -0.338 0.000 0.783 142 P CB 0.099 31.471 31.700 -0.546 0.000 0.771 143 K N -1.730 118.497 120.400 -0.289 0.000 2.404 143 K HA 0.244 4.564 4.320 0.000 0.000 0.194 143 K C 1.303 177.866 176.600 -0.062 0.000 1.023 143 K CA 0.645 56.850 56.287 -0.138 0.000 1.094 143 K CB -0.348 32.113 32.500 -0.064 0.000 0.841 143 K HN 0.174 nan 8.250 nan 0.000 0.523 144 G N 1.931 110.695 108.800 -0.060 0.000 2.157 144 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 144 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 144 G C -0.107 174.788 174.900 -0.009 0.000 0.979 144 G CA 0.203 45.284 45.100 -0.032 0.000 0.650 144 G HN 0.400 nan 8.290 nan 0.000 0.529 145 E N 1.450 121.661 120.200 0.017 0.000 2.259 145 E HA 0.499 4.850 4.350 0.000 0.000 0.281 145 E C 0.991 177.636 176.600 0.075 0.000 1.037 145 E CA 0.174 56.604 56.400 0.051 0.000 0.854 145 E CB 0.437 30.185 29.700 0.080 0.000 1.051 145 E HN 0.494 nan 8.360 nan 0.000 0.409 146 S N 3.986 119.697 115.700 0.019 0.000 2.580 146 S HA 0.355 4.825 4.470 0.000 0.000 0.274 146 S C -0.604 174.010 174.600 0.023 0.000 1.329 146 S CA -0.522 57.641 58.200 -0.061 0.000 1.036 146 S CB 0.378 63.526 63.200 -0.086 0.000 0.919 146 S HN 0.508 nan 8.310 nan 0.000 0.515 147 Y N -1.571 118.679 120.300 -0.082 0.000 2.597 147 Y HA 0.789 5.340 4.550 0.000 0.000 0.340 147 Y C -0.391 175.406 175.900 -0.173 0.000 1.097 147 Y CA -0.937 57.084 58.100 -0.132 0.000 1.037 147 Y CB 0.901 39.253 38.460 -0.180 0.000 1.305 147 Y HN 0.878 nan 8.280 nan 0.000 0.463 148 T N -1.850 112.684 114.554 -0.034 0.000 2.888 148 T HA 0.657 5.007 4.350 0.000 0.000 0.288 148 T C -1.602 173.024 174.700 -0.124 0.000 1.063 148 T CA -0.927 61.132 62.100 -0.070 0.000 1.010 148 T CB 1.720 70.588 68.868 -0.001 0.000 1.214 148 T HN 0.645 nan 8.240 nan 0.000 0.533 149 Y N 0.670 121.046 120.300 0.126 0.000 2.446 149 Y HA 0.608 5.158 4.550 0.000 0.000 0.338 149 Y C 0.745 176.816 175.900 0.285 0.000 1.055 149 Y CA -0.487 57.733 58.100 0.199 0.000 1.101 149 Y CB 2.180 40.690 38.460 0.085 0.000 1.221 149 Y HN 0.996 nan 8.280 nan 0.000 0.460 150 S N 1.138 117.160 115.700 0.538 0.000 2.548 150 S HA 0.863 5.333 4.470 0.000 0.000 0.286 150 S C -0.750 174.072 174.600 0.371 0.000 1.098 150 S CA -1.124 57.334 58.200 0.430 0.000 0.930 150 S CB 1.579 64.905 63.200 0.210 0.000 1.070 150 S HN 0.884 nan 8.310 nan 0.000 0.480 151 A N 2.010 124.848 122.820 0.030 0.000 2.477 151 A HA 0.511 4.832 4.320 0.000 0.000 0.246 151 A C 0.378 177.842 177.584 -0.199 0.000 1.078 151 A CA -0.080 51.657 52.037 -0.500 0.000 0.770 151 A CB -0.537 18.120 19.000 -0.572 0.000 1.011 151 A HN 0.979 nan 8.150 nan 0.000 0.494 152 N N 0.101 118.676 118.700 -0.209 0.000 3.464 152 N HA 0.242 4.982 4.740 0.000 0.000 0.335 152 N C -1.033 174.458 175.510 -0.032 0.000 1.489 152 N CA -0.572 52.447 53.050 -0.051 0.000 0.652 152 N CB 0.748 39.256 38.487 0.035 0.000 2.334 152 N HN 0.581 nan 8.380 nan 0.000 0.560 153 D N 0.552 120.993 120.400 0.068 0.000 2.443 153 D HA 0.386 5.026 4.640 0.000 0.000 0.239 153 D C -0.612 175.819 176.300 0.218 0.000 1.136 153 D CA 0.378 54.462 54.000 0.140 0.000 0.879 153 D CB 0.972 41.910 40.800 0.229 0.000 1.195 153 D HN 0.515 nan 8.370 nan 0.000 0.443 154 A N 1.109 124.032 122.820 0.172 0.000 2.435 154 A HA 0.685 5.006 4.320 0.000 0.000 0.296 154 A C -0.270 177.417 177.584 0.172 0.000 1.147 154 A CA -0.540 51.630 52.037 0.221 0.000 0.775 154 A CB 2.068 21.105 19.000 0.061 0.000 1.340 154 A HN 0.399 nan 8.150 nan 0.000 0.427 155 S N -1.701 114.133 115.700 0.223 0.000 2.732 155 S HA 0.803 5.274 4.470 0.000 0.000 0.293 155 S C -1.085 173.557 174.600 0.071 0.000 1.159 155 S CA 0.165 58.409 58.200 0.073 0.000 0.847 155 S CB 1.499 64.721 63.200 0.037 0.000 1.169 155 S HN 1.956 nan 8.310 nan 0.000 0.501 156 V N -0.684 119.226 119.914 -0.007 0.000 2.962 156 V HA 1.061 5.181 4.120 0.000 0.000 0.313 156 V C 0.021 176.150 176.094 0.057 0.000 1.099 156 V CA -0.235 62.051 62.300 -0.023 0.000 0.971 156 V CB 1.004 32.655 31.823 -0.287 0.000 1.028 156 V HN 1.232 nan 8.190 nan 0.000 0.430 157 G N 0.722 109.648 108.800 0.211 0.000 2.703 157 G HA2 0.512 4.473 3.960 0.000 0.000 0.294 157 G HA3 0.512 4.473 3.960 0.000 0.000 0.294 157 G C -2.172 172.924 174.900 0.328 0.000 1.451 157 G CA -0.498 44.771 45.100 0.282 0.000 0.869 157 G HN 0.881 nan 8.290 nan 0.000 0.516 158 D N 1.093 121.639 120.400 0.242 0.000 2.441 158 D HA 0.267 4.907 4.640 0.000 0.000 0.221 158 D C 1.639 178.004 176.300 0.108 0.000 1.156 158 D CA -0.218 53.848 54.000 0.110 0.000 0.896 158 D CB 1.291 42.070 40.800 -0.035 0.000 1.028 158 D HN 0.431 nan 8.370 nan 0.000 0.509 159 V N 1.424 121.417 119.914 0.132 0.000 3.129 159 V HA 0.040 4.160 4.120 0.000 0.000 0.259 159 V C 0.887 177.052 176.094 0.118 0.000 1.116 159 V CA 1.353 63.742 62.300 0.149 0.000 1.127 159 V CB -0.216 31.730 31.823 0.205 0.000 0.742 159 V HN 0.469 nan 8.190 nan 0.000 0.474 160 D N -0.357 120.097 120.400 0.089 0.000 2.469 160 D HA 0.259 4.899 4.640 0.000 0.000 0.213 160 D C 1.573 177.904 176.300 0.051 0.000 1.135 160 D CA 0.495 54.538 54.000 0.072 0.000 0.834 160 D CB 0.233 41.073 40.800 0.068 0.000 1.009 160 D HN 0.870 nan 8.370 nan 0.000 0.507 161 G N 2.106 110.931 108.800 0.040 0.000 2.137 161 G HA2 -0.277 3.683 3.960 0.000 0.000 0.237 161 G HA3 -0.277 3.683 3.960 0.000 0.000 0.237 161 G C 0.428 175.335 174.900 0.011 0.000 1.002 161 G CA 0.458 45.573 45.100 0.025 0.000 0.702 161 G HN 0.519 nan 8.290 nan 0.000 0.515 162 D N -0.421 119.981 120.400 0.003 0.000 2.339 162 D HA 0.353 4.993 4.640 0.000 0.000 0.217 162 D C 1.772 178.057 176.300 -0.026 0.000 1.050 162 D CA 0.559 54.558 54.000 -0.001 0.000 0.856 162 D CB -0.485 40.321 40.800 0.009 0.000 0.922 162 D HN 1.557 nan 8.370 nan 0.000 0.518 163 G N 0.365 109.127 108.800 -0.064 0.000 2.157 163 G HA2 -0.301 3.659 3.960 0.000 0.000 0.248 163 G HA3 -0.301 3.659 3.960 0.000 0.000 0.248 163 G C -0.041 174.744 174.900 -0.191 0.000 0.979 163 G CA 0.286 45.315 45.100 -0.119 0.000 0.650 163 G HN 0.637 nan 8.290 nan 0.000 0.529 164 Q N -0.186 119.524 119.800 -0.150 0.000 2.333 164 Q HA 0.620 4.961 4.340 0.000 0.000 0.267 164 Q C -0.529 175.405 176.000 -0.110 0.000 1.012 164 Q CA -1.083 54.645 55.803 -0.124 0.000 0.824 164 Q CB 0.982 29.713 28.738 -0.011 0.000 1.290 164 Q HN 0.228 nan 8.270 nan 0.000 0.449 165 Y N 1.915 122.251 120.300 0.060 0.000 2.411 165 Y HA 0.098 4.648 4.550 0.000 0.000 0.333 165 Y C 0.216 176.157 175.900 0.068 0.000 1.186 165 Y CA 0.145 58.283 58.100 0.063 0.000 1.381 165 Y CB 0.675 39.175 38.460 0.067 0.000 1.273 165 Y HN 0.610 nan 8.280 nan 0.000 0.546 166 E N 1.780 122.131 120.200 0.253 0.000 2.250 166 E HA 0.462 4.813 4.350 0.000 0.000 0.269 166 E C -1.115 175.578 176.600 0.155 0.000 1.018 166 E CA -0.588 55.911 56.400 0.165 0.000 0.873 166 E CB 0.834 30.600 29.700 0.111 0.000 1.134 166 E HN 0.445 nan 8.360 nan 0.000 0.403 167 L N 2.672 123.966 121.223 0.118 0.000 2.275 167 L HA 0.363 4.703 4.340 0.000 0.000 0.288 167 L C -0.616 176.290 176.870 0.060 0.000 1.046 167 L CA -0.623 54.274 54.840 0.095 0.000 0.805 167 L CB 0.659 42.770 42.059 0.086 0.000 1.193 167 L HN 0.297 nan 8.230 nan 0.000 0.426 168 I N 5.143 125.761 120.570 0.080 0.000 2.328 168 I HA 0.303 4.473 4.170 0.000 0.000 0.287 168 I C -0.351 175.798 176.117 0.054 0.000 1.012 168 I CA -0.468 60.857 61.300 0.043 0.000 1.195 168 I CB 1.382 39.503 38.000 0.203 0.000 1.350 168 I HN 0.353 nan 8.210 nan 0.000 0.464 169 L N 7.374 128.541 121.223 -0.093 0.000 2.322 169 L HA 0.483 4.823 4.340 0.000 0.000 0.281 169 L C -0.128 176.547 176.870 -0.325 0.000 1.014 169 L CA -0.332 54.402 54.840 -0.176 0.000 0.815 169 L CB 1.361 43.280 42.059 -0.233 0.000 1.247 169 L HN 0.520 nan 8.230 nan 0.000 0.421 170 K N 4.322 124.533 120.400 -0.316 0.000 2.211 170 K HA 0.300 4.620 4.320 0.000 0.000 0.275 170 K C -1.458 175.020 176.600 -0.203 0.000 1.024 170 K CA -0.422 55.706 56.287 -0.265 0.000 0.887 170 K CB 0.598 32.997 32.500 -0.169 0.000 1.084 170 K HN 0.612 nan 8.250 nan 0.000 0.463 171 W N 2.572 123.868 121.300 -0.008 0.000 2.376 171 W HA 0.200 4.860 4.660 0.000 0.000 0.322 171 W C -0.178 176.457 176.519 0.194 0.000 1.160 171 W CA -0.219 57.177 57.345 0.086 0.000 1.218 171 W CB 1.116 30.565 29.460 -0.018 0.000 1.205 171 W HN 0.563 nan 8.180 nan 0.000 0.559 172 D N 3.533 124.233 120.400 0.500 0.000 2.391 172 D HA 0.366 5.006 4.640 0.000 0.000 0.245 172 D C -2.411 174.053 176.300 0.274 0.000 1.069 172 D CA -2.113 52.084 54.000 0.328 0.000 0.831 172 D CB 1.851 42.763 40.800 0.186 0.000 1.204 172 D HN -0.120 nan 8.370 nan 0.000 0.503 173 P HA 0.084 nan 4.420 nan 0.000 0.274 173 P C 0.458 177.683 177.300 -0.126 0.000 1.231 173 P CA -0.350 62.549 63.100 -0.335 0.000 0.790 173 P CB 1.229 32.607 31.700 -0.537 0.000 0.951 174 S N 0.811 116.462 115.700 -0.082 0.000 2.547 174 S HA -0.128 4.342 4.470 0.000 0.000 0.235 174 S C 0.962 175.560 174.600 -0.002 0.000 0.980 174 S CA 0.596 58.794 58.200 -0.003 0.000 0.941 174 S CB -1.142 62.073 63.200 0.025 0.000 0.763 174 S HN 0.588 nan 8.310 nan 0.000 0.532 175 N N 1.609 120.280 118.700 -0.048 0.000 2.273 175 N HA 0.097 4.837 4.740 0.000 0.000 0.231 175 N C -0.037 175.442 175.510 -0.051 0.000 1.134 175 N CA 0.080 53.106 53.050 -0.039 0.000 0.856 175 N CB -0.291 38.174 38.487 -0.038 0.000 1.068 175 N HN 0.410 nan 8.380 nan 0.000 0.510 176 S N 0.318 115.995 115.700 -0.039 0.000 2.566 176 S HA 0.196 4.666 4.470 0.000 0.000 0.280 176 S C 0.052 174.681 174.600 0.048 0.000 1.343 176 S CA -0.217 57.983 58.200 -0.001 0.000 1.036 176 S CB 1.074 64.297 63.200 0.039 0.000 0.866 176 S HN 0.115 nan 8.310 nan 0.000 0.526 177 K N 1.334 121.789 120.400 0.092 0.000 2.378 177 K HA 0.363 4.683 4.320 0.000 0.000 0.252 177 K C -0.873 175.877 176.600 0.250 0.000 0.931 177 K CA -0.615 55.755 56.287 0.138 0.000 0.794 177 K CB 1.981 34.542 32.500 0.102 0.000 1.181 177 K HN 0.853 nan 8.250 nan 0.000 0.425 178 D N 0.550 121.082 120.400 0.220 0.000 2.382 178 D HA 0.036 4.676 4.640 0.000 0.000 0.240 178 D C 1.033 177.489 176.300 0.260 0.000 1.146 178 D CA 0.192 54.351 54.000 0.265 0.000 0.897 178 D CB 0.717 41.648 40.800 0.218 0.000 1.197 178 D HN 0.376 nan 8.370 nan 0.000 0.432 179 N N 0.499 119.328 118.700 0.215 0.000 2.348 179 N HA -0.167 4.573 4.740 0.000 0.000 0.185 179 N C 1.342 176.954 175.510 0.170 0.000 1.019 179 N CA 0.946 54.080 53.050 0.141 0.000 0.880 179 N CB -0.029 38.418 38.487 -0.066 0.000 0.965 179 N HN 0.459 nan 8.380 nan 0.000 0.437 180 S N -0.097 115.704 115.700 0.170 0.000 2.522 180 S HA -0.004 4.466 4.470 0.000 0.000 0.227 180 S C 0.694 175.387 174.600 0.155 0.000 0.986 180 S CA 0.200 58.524 58.200 0.207 0.000 0.929 180 S CB 0.124 63.399 63.200 0.124 0.000 0.769 180 S HN 0.236 nan 8.310 nan 0.000 0.529 181 Q N 1.542 121.426 119.800 0.141 0.000 2.282 181 Q HA 0.426 4.766 4.340 0.000 0.000 0.260 181 Q C -1.252 174.798 176.000 0.083 0.000 0.964 181 Q CA -0.784 55.073 55.803 0.090 0.000 0.880 181 Q CB 1.126 29.915 28.738 0.086 0.000 1.286 181 Q HN 0.300 nan 8.270 nan 0.000 0.445 182 D N 0.873 121.299 120.400 0.043 0.000 2.283 182 D HA 0.615 5.255 4.640 0.000 0.000 0.248 182 D C 0.148 176.447 176.300 -0.002 0.000 1.072 182 D CA 0.239 54.248 54.000 0.014 0.000 0.929 182 D CB 1.617 42.417 40.800 -0.000 0.000 1.182 182 D HN 0.745 nan 8.370 nan 0.000 0.433 183 G N 0.129 108.896 108.800 -0.054 0.000 2.316 183 G HA2 0.044 4.004 3.960 0.000 0.000 0.468 183 G HA3 0.044 4.004 3.960 0.000 0.000 0.468 183 G C -1.531 173.317 174.900 -0.086 0.000 1.523 183 G CA -1.086 43.999 45.100 -0.025 0.000 0.972 183 G HN 0.246 nan 8.290 nan 0.000 0.667 184 Y N 0.674 120.958 120.300 -0.027 0.000 2.397 184 Y HA 0.522 5.072 4.550 0.000 0.000 0.335 184 Y C 1.614 177.452 175.900 -0.103 0.000 1.213 184 Y CA 1.035 59.102 58.100 -0.055 0.000 1.391 184 Y CB 1.412 39.852 38.460 -0.033 0.000 1.293 184 Y HN 0.760 nan 8.280 nan 0.000 0.557 185 T N -0.762 113.789 114.554 -0.004 0.000 2.908 185 T HA 0.702 5.052 4.350 0.000 0.000 0.290 185 T C 0.229 174.749 174.700 -0.301 0.000 1.034 185 T CA -0.846 61.154 62.100 -0.167 0.000 1.010 185 T CB 1.466 70.232 68.868 -0.170 0.000 1.068 185 T HN 0.854 nan 8.240 nan 0.000 0.481 186 G N 0.868 109.251 108.800 -0.694 0.000 2.636 186 G HA2 0.385 4.345 3.960 0.000 0.000 0.246 186 G HA3 0.385 4.345 3.960 0.000 0.000 0.246 186 G C -0.409 174.354 174.900 -0.229 0.000 1.216 186 G CA -0.585 43.991 45.100 -0.874 0.000 0.854 186 G HN 0.805 nan 8.290 nan 0.000 0.572 187 D N -0.782 119.634 120.400 0.027 0.000 2.472 187 D HA 0.136 4.777 4.640 0.000 0.000 0.237 187 D C 0.449 176.864 176.300 0.191 0.000 1.141 187 D CA 0.200 54.268 54.000 0.113 0.000 0.875 187 D CB 1.404 42.291 40.800 0.145 0.000 1.192 187 D HN 0.001 nan 8.370 nan 0.000 0.450 188 V N 3.485 123.464 119.914 0.109 0.000 2.432 188 V HA 0.262 4.382 4.120 0.000 0.000 0.275 188 V C 0.446 176.587 176.094 0.079 0.000 1.043 188 V CA -0.515 61.861 62.300 0.128 0.000 0.925 188 V CB 0.684 32.550 31.823 0.072 0.000 0.985 188 V HN 0.253 nan 8.190 nan 0.000 0.466 189 L N 5.871 127.152 121.223 0.096 0.000 2.346 189 L HA 0.651 4.991 4.340 0.000 0.000 0.274 189 L C -0.801 176.139 176.870 0.116 0.000 1.007 189 L CA -0.633 54.237 54.840 0.050 0.000 0.818 189 L CB 1.992 43.994 42.059 -0.094 0.000 1.284 189 L HN 0.365 nan 8.230 nan 0.000 0.424 190 I N 1.681 122.281 120.570 0.050 0.000 2.418 190 I HA 0.423 4.593 4.170 0.000 0.000 0.287 190 I C -0.906 175.238 176.117 0.046 0.000 1.008 190 I CA -0.413 60.873 61.300 -0.023 0.000 1.104 190 I CB 1.689 39.624 38.000 -0.108 0.000 1.264 190 I HN 0.500 nan 8.210 nan 0.000 0.438 191 D N 4.140 124.482 120.400 -0.096 0.000 2.350 191 D HA 0.741 5.381 4.640 0.000 0.000 0.238 191 D C -0.322 175.479 176.300 -0.832 0.000 0.989 191 D CA -0.278 53.492 54.000 -0.384 0.000 0.921 191 D CB 2.537 43.275 40.800 -0.103 0.000 1.297 191 D HN 0.614 nan 8.370 nan 0.000 0.490 192 A N 1.322 123.282 122.820 -1.434 0.000 2.331 192 A HA 0.652 4.972 4.320 0.000 0.000 0.320 192 A C -1.534 175.515 177.584 -0.892 0.000 1.138 192 A CA -0.550 50.804 52.037 -1.138 0.000 0.790 192 A CB 0.457 18.528 19.000 -1.547 0.000 1.206 192 A HN 0.485 nan 8.150 nan 0.000 0.470 193 Y N 1.356 121.491 120.300 -0.275 0.000 2.409 193 Y HA 0.408 4.958 4.550 0.000 0.000 0.343 193 Y C 0.552 176.412 175.900 -0.066 0.000 0.973 193 Y CA -0.574 57.442 58.100 -0.140 0.000 1.064 193 Y CB 2.050 40.459 38.460 -0.084 0.000 1.207 193 Y HN 0.631 nan 8.280 nan 0.000 0.452 194 K N 2.494 122.961 120.400 0.111 0.000 2.168 194 K HA 0.238 4.558 4.320 0.000 0.000 0.258 194 K C 0.738 177.427 176.600 0.148 0.000 1.010 194 K CA -0.383 55.971 56.287 0.111 0.000 0.929 194 K CB 0.723 33.272 32.500 0.081 0.000 0.998 194 K HN 0.709 nan 8.250 nan 0.000 0.479 195 L N 1.364 122.669 121.223 0.136 0.000 2.265 195 L HA -0.184 4.156 4.340 0.000 0.000 0.215 195 L C 1.587 178.594 176.870 0.229 0.000 1.117 195 L CA 0.998 55.939 54.840 0.167 0.000 0.782 195 L CB -0.601 41.521 42.059 0.106 0.000 0.914 195 L HN 0.743 nan 8.230 nan 0.000 0.441 196 D N -0.319 120.174 120.400 0.154 0.000 2.363 196 D HA -0.006 4.634 4.640 0.000 0.000 0.226 196 D C 1.468 177.834 176.300 0.109 0.000 1.020 196 D CA 0.863 54.947 54.000 0.141 0.000 0.892 196 D CB 0.208 41.066 40.800 0.097 0.000 0.900 196 D HN 0.278 nan 8.370 nan 0.000 0.531 197 G N -0.635 108.237 108.800 0.120 0.000 2.176 197 G HA2 -0.250 3.710 3.960 0.000 0.000 0.232 197 G HA3 -0.250 3.710 3.960 0.000 0.000 0.232 197 G C 0.372 175.381 174.900 0.182 0.000 0.986 197 G CA 0.152 45.322 45.100 0.116 0.000 0.643 197 G HN 0.429 nan 8.290 nan 0.000 0.522 198 T N 1.784 116.419 114.554 0.135 0.000 2.829 198 T HA 0.334 4.684 4.350 0.000 0.000 0.293 198 T C 0.500 175.233 174.700 0.054 0.000 0.970 198 T CA 0.616 62.768 62.100 0.087 0.000 1.168 198 T CB 1.186 70.085 68.868 0.050 0.000 0.911 198 T HN 0.447 nan 8.240 nan 0.000 0.535 199 K N 4.396 124.788 120.400 -0.014 0.000 2.310 199 K HA 0.220 4.541 4.320 0.000 0.000 0.290 199 K C 0.834 177.277 176.600 -0.261 0.000 1.077 199 K CA -0.424 55.672 56.287 -0.317 0.000 0.922 199 K CB 0.243 32.591 32.500 -0.253 0.000 1.057 199 K HN 0.577 nan 8.250 nan 0.000 0.479 200 L N 4.615 125.609 121.223 -0.381 0.000 2.131 200 L HA 0.118 4.458 4.340 0.000 0.000 0.206 200 L C 0.576 177.427 176.870 -0.031 0.000 1.087 200 L CA 0.392 55.113 54.840 -0.197 0.000 0.767 200 L CB -0.219 41.713 42.059 -0.212 0.000 0.917 200 L HN 0.715 nan 8.230 nan 0.000 0.441 201 W N -1.441 119.753 121.300 -0.176 0.000 2.986 201 W HA 0.458 5.118 4.660 0.000 0.000 0.345 201 W C -1.481 174.930 176.519 -0.181 0.000 1.191 201 W CA -1.032 56.224 57.345 -0.148 0.000 1.170 201 W CB 1.283 30.675 29.460 -0.113 0.000 1.438 201 W HN -0.307 nan 8.180 nan 0.000 0.567 202 R N 1.594 122.270 120.500 0.293 0.000 2.575 202 R HA 0.690 5.030 4.340 0.000 0.000 0.293 202 R C -1.549 174.867 176.300 0.193 0.000 0.983 202 R CA -0.640 55.582 56.100 0.204 0.000 0.887 202 R CB 1.880 32.192 30.300 0.020 0.000 1.184 202 R HN 0.559 nan 8.270 nan 0.000 0.445 203 I N 3.393 124.055 120.570 0.155 0.000 2.359 203 I HA 0.241 4.411 4.170 0.000 0.000 0.294 203 I C -0.338 175.745 176.117 -0.057 0.000 0.987 203 I CA -0.890 60.354 61.300 -0.093 0.000 1.225 203 I CB 1.719 39.485 38.000 -0.390 0.000 1.366 203 I HN 0.530 nan 8.210 nan 0.000 0.466 204 N N 6.743 125.412 118.700 -0.051 0.000 2.469 204 N HA 0.288 5.029 4.740 0.000 0.000 0.253 204 N C 0.394 175.901 175.510 -0.005 0.000 0.970 204 N CA -0.275 52.761 53.050 -0.023 0.000 0.940 204 N CB 1.460 39.939 38.487 -0.014 0.000 1.128 204 N HN 0.598 nan 8.380 nan 0.000 0.503 205 L N 2.554 123.779 121.223 0.002 0.000 2.275 205 L HA 0.133 4.473 4.340 0.000 0.000 0.215 205 L C 1.375 178.265 176.870 0.033 0.000 1.119 205 L CA 0.802 55.654 54.840 0.021 0.000 0.790 205 L CB -0.765 41.302 42.059 0.013 0.000 0.919 205 L HN 0.828 nan 8.230 nan 0.000 0.443 206 G N 0.516 109.336 108.800 0.032 0.000 2.757 206 G HA2 -0.294 3.667 3.960 0.000 0.000 0.638 206 G HA3 -0.294 3.667 3.960 0.000 0.000 0.638 206 G C 0.475 175.393 174.900 0.031 0.000 1.344 206 G CA 0.041 45.164 45.100 0.038 0.000 0.855 206 G HN 0.351 nan 8.290 nan 0.000 0.537 207 K N -0.620 119.803 120.400 0.038 0.000 2.362 207 K HA -0.015 4.305 4.320 0.000 0.000 0.200 207 K C 1.396 178.013 176.600 0.028 0.000 1.046 207 K CA 1.879 58.188 56.287 0.037 0.000 0.952 207 K CB -0.118 32.410 32.500 0.048 0.000 0.753 207 K HN 0.423 nan 8.250 nan 0.000 0.466 208 N N 0.430 119.150 118.700 0.033 0.000 2.270 208 N HA 0.129 4.869 4.740 0.000 0.000 0.198 208 N C -0.882 174.609 175.510 -0.031 0.000 1.117 208 N CA -0.115 52.954 53.050 0.032 0.000 0.845 208 N CB 0.479 39.022 38.487 0.094 0.000 0.980 208 N HN 0.083 nan 8.380 nan 0.000 0.486 209 I N 1.338 121.877 120.570 -0.051 0.000 2.420 209 I HA 0.218 4.388 4.170 0.000 0.000 0.282 209 I C 0.126 176.152 176.117 -0.152 0.000 1.019 209 I CA -0.577 60.666 61.300 -0.096 0.000 1.130 209 I CB 1.195 39.158 38.000 -0.061 0.000 1.262 209 I HN 0.046 nan 8.210 nan 0.000 0.454 210 R N 3.696 124.014 120.500 -0.304 0.000 2.590 210 R HA 0.491 4.831 4.340 0.000 0.000 0.274 210 R C 0.007 176.040 176.300 -0.444 0.000 1.061 210 R CA -0.222 55.583 56.100 -0.491 0.000 1.081 210 R CB 0.945 30.697 30.300 -0.913 0.000 0.984 210 R HN 0.743 nan 8.270 nan 0.000 0.448 211 A N 2.199 124.859 122.820 -0.266 0.000 2.331 211 A HA 0.625 4.945 4.320 0.000 0.000 0.283 211 A C -0.050 177.552 177.584 0.030 0.000 1.142 211 A CA 0.362 52.354 52.037 -0.075 0.000 0.812 211 A CB 1.049 20.023 19.000 -0.044 0.000 1.074 211 A HN 0.893 nan 8.150 nan 0.000 0.497 212 G N -0.952 107.983 108.800 0.224 0.000 2.347 212 G HA2 0.560 4.520 3.960 0.000 0.000 0.303 212 G HA3 0.560 4.520 3.960 0.000 0.000 0.303 212 G C 0.426 175.478 174.900 0.255 0.000 1.481 212 G CA -0.062 45.225 45.100 0.313 0.000 0.914 212 G HN 1.547 nan 8.290 nan 0.000 0.638 213 A N -0.351 122.506 122.820 0.061 0.000 1.978 213 A HA -0.037 4.283 4.320 0.000 0.000 0.220 213 A C 1.580 178.989 177.584 -0.292 0.000 1.170 213 A CA 2.225 54.167 52.037 -0.158 0.000 0.636 213 A CB -0.570 18.245 19.000 -0.308 0.000 0.810 213 A HN 0.722 nan 8.150 nan 0.000 0.448 214 H N -2.940 116.138 119.070 0.013 0.000 2.551 214 H HA 0.178 4.734 4.556 0.000 0.000 0.271 214 H C 0.842 176.113 175.328 -0.096 0.000 0.984 214 H CA 0.252 56.233 56.048 -0.112 0.000 1.164 214 H CB 0.017 29.626 29.762 -0.255 0.000 1.437 214 H HN 0.650 nan 8.280 nan 0.000 0.550 215 Y N 1.542 121.978 120.300 0.227 0.000 2.483 215 Y HA 0.040 4.590 4.550 0.000 0.000 0.243 215 Y C 1.474 177.398 175.900 0.041 0.000 1.024 215 Y CA 0.341 58.554 58.100 0.189 0.000 1.091 215 Y CB -0.555 37.959 38.460 0.090 0.000 1.034 215 Y HN -0.193 nan 8.280 nan 0.000 0.475 216 T N 3.861 118.536 114.554 0.201 0.000 2.853 216 T HA 0.121 4.471 4.350 0.000 0.000 0.298 216 T C -0.575 174.255 174.700 0.216 0.000 0.978 216 T CA -0.256 61.921 62.100 0.127 0.000 1.152 216 T CB 0.024 68.976 68.868 0.140 0.000 0.914 216 T HN 0.102 nan 8.240 nan 0.000 0.539 217 Q N 3.610 123.523 119.800 0.189 0.000 2.363 217 Q HA 0.348 4.688 4.340 0.000 0.000 0.265 217 Q C -0.734 175.406 176.000 0.233 0.000 1.032 217 Q CA -0.550 55.372 55.803 0.198 0.000 0.746 217 Q CB 1.204 30.043 28.738 0.169 0.000 1.237 217 Q HN 0.776 nan 8.270 nan 0.000 0.475 218 F N 0.293 120.310 119.950 0.111 0.000 2.427 218 F HA 0.717 5.244 4.527 0.000 0.000 0.346 218 F C -0.299 175.581 175.800 0.134 0.000 1.120 218 F CA -1.078 56.993 58.000 0.119 0.000 1.033 218 F CB 1.069 40.138 39.000 0.115 0.000 1.126 218 F HN 0.131 nan 8.300 nan 0.000 0.462 219 M N 5.091 124.812 119.600 0.201 0.000 2.180 219 M HA 0.438 4.918 4.480 0.000 0.000 0.350 219 M C -1.049 175.390 176.300 0.231 0.000 1.125 219 M CA -0.789 54.599 55.300 0.145 0.000 1.031 219 M CB 1.706 34.383 32.600 0.129 0.000 1.623 219 M HN 0.574 nan 8.290 nan 0.000 0.451 220 V N 5.238 125.292 119.914 0.234 0.000 2.378 220 V HA 0.574 4.694 4.120 0.000 0.000 0.288 220 V C -1.243 175.056 176.094 0.342 0.000 1.016 220 V CA -0.640 61.827 62.300 0.279 0.000 0.840 220 V CB 1.483 33.464 31.823 0.263 0.000 0.994 220 V HN 0.834 nan 8.190 nan 0.000 0.431 221 Y N 2.002 122.391 120.300 0.149 0.000 2.638 221 Y HA 0.291 4.841 4.550 0.000 0.000 0.334 221 Y C -0.748 175.241 175.900 0.149 0.000 1.182 221 Y CA -1.090 57.097 58.100 0.145 0.000 1.102 221 Y CB 1.675 40.210 38.460 0.125 0.000 1.343 221 Y HN 0.669 nan 8.280 nan 0.000 0.463 222 D N 3.825 124.216 120.400 -0.014 0.000 2.470 222 D HA 0.176 4.816 4.640 0.000 0.000 0.226 222 D C 0.605 177.072 176.300 0.280 0.000 1.196 222 D CA 0.549 54.617 54.000 0.114 0.000 0.979 222 D CB 0.223 41.029 40.800 0.010 0.000 1.059 222 D HN 0.662 nan 8.370 nan 0.000 0.515 223 L N 1.825 123.246 121.223 0.330 0.000 2.141 223 L HA -0.088 4.252 4.340 0.000 0.000 0.209 223 L C 1.734 178.731 176.870 0.212 0.000 1.094 223 L CA 1.049 56.072 54.840 0.305 0.000 0.763 223 L CB -0.066 42.203 42.059 0.349 0.000 0.908 223 L HN 0.366 nan 8.230 nan 0.000 0.437 224 D N -1.195 119.329 120.400 0.206 0.000 2.360 224 D HA 0.043 4.684 4.640 0.000 0.000 0.210 224 D C 1.358 177.691 176.300 0.055 0.000 1.047 224 D CA 0.715 54.743 54.000 0.048 0.000 0.854 224 D CB 0.170 40.907 40.800 -0.104 0.000 0.936 224 D HN 0.167 nan 8.370 nan 0.000 0.514 225 G N 1.877 110.737 108.800 0.100 0.000 2.182 225 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 225 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 225 G C 0.411 175.366 174.900 0.091 0.000 1.042 225 G CA 0.426 45.588 45.100 0.103 0.000 0.775 225 G HN 0.538 nan 8.290 nan 0.000 0.501 226 D N -0.608 119.840 120.400 0.081 0.000 2.349 226 D HA 0.350 4.990 4.640 0.000 0.000 0.214 226 D C 1.751 178.091 176.300 0.068 0.000 1.063 226 D CA 0.640 54.681 54.000 0.069 0.000 0.847 226 D CB -0.358 40.480 40.800 0.063 0.000 0.933 226 D HN 1.559 nan 8.370 nan 0.000 0.513 227 G N 0.208 109.048 108.800 0.068 0.000 2.176 227 G HA2 -0.238 3.722 3.960 0.000 0.000 0.232 227 G HA3 -0.238 3.722 3.960 0.000 0.000 0.232 227 G C 0.036 174.967 174.900 0.051 0.000 0.986 227 G CA -0.022 45.110 45.100 0.053 0.000 0.643 227 G HN 0.442 nan 8.290 nan 0.000 0.522 228 K N 0.463 120.905 120.400 0.070 0.000 2.345 228 K HA 0.731 5.051 4.320 0.000 0.000 0.255 228 K C 0.276 176.938 176.600 0.104 0.000 0.934 228 K CA -0.164 56.173 56.287 0.084 0.000 0.801 228 K CB 2.219 34.775 32.500 0.094 0.000 1.137 228 K HN 0.504 nan 8.250 nan 0.000 0.424 229 A N 3.022 125.908 122.820 0.110 0.000 2.425 229 A HA 0.167 4.487 4.320 0.000 0.000 0.249 229 A C 0.052 177.737 177.584 0.169 0.000 1.084 229 A CA -0.178 51.939 52.037 0.134 0.000 0.781 229 A CB 0.244 19.331 19.000 0.145 0.000 1.019 229 A HN 0.739 nan 8.150 nan 0.000 0.490 230 E N 0.966 121.271 120.200 0.175 0.000 2.281 230 E HA 0.663 5.013 4.350 0.000 0.000 0.257 230 E C -1.285 175.427 176.600 0.186 0.000 0.971 230 E CA -0.897 55.592 56.400 0.148 0.000 0.839 230 E CB 1.107 30.837 29.700 0.051 0.000 1.238 230 E HN 0.244 nan 8.360 nan 0.000 0.412 231 V N -0.150 119.873 119.914 0.182 0.000 2.531 231 V HA 0.667 4.787 4.120 0.000 0.000 0.301 231 V C -0.604 175.634 176.094 0.240 0.000 1.034 231 V CA -0.765 61.690 62.300 0.258 0.000 0.865 231 V CB 1.236 33.251 31.823 0.320 0.000 0.995 231 V HN 0.864 nan 8.190 nan 0.000 0.424 232 A N 6.966 129.909 122.820 0.205 0.000 2.355 232 A HA 1.064 5.384 4.320 0.000 0.000 0.317 232 A C -0.593 177.106 177.584 0.191 0.000 1.094 232 A CA -0.571 51.540 52.037 0.123 0.000 0.764 232 A CB 1.794 20.795 19.000 0.002 0.000 1.230 232 A HN 1.191 nan 8.150 nan 0.000 0.448 233 M N 0.349 120.055 119.600 0.177 0.000 2.895 233 M HA 0.503 4.983 4.480 0.000 0.000 0.271 233 M C -1.081 175.290 176.300 0.119 0.000 1.174 233 M CA -0.802 54.605 55.300 0.178 0.000 0.816 233 M CB 1.417 34.157 32.600 0.234 0.000 1.647 233 M HN 0.501 nan 8.290 nan 0.000 0.506 234 K N 1.869 122.283 120.400 0.024 0.000 2.368 234 K HA 0.465 4.785 4.320 0.000 0.000 0.282 234 K C -0.603 175.954 176.600 -0.071 0.000 1.035 234 K CA 0.506 56.714 56.287 -0.133 0.000 0.973 234 K CB 0.729 32.849 32.500 -0.634 0.000 0.957 234 K HN 0.810 nan 8.250 nan 0.000 0.474 235 T N 0.005 114.557 114.554 -0.005 0.000 2.831 235 T HA 0.864 5.214 4.350 0.000 0.000 0.287 235 T C -0.875 173.854 174.700 0.049 0.000 1.070 235 T CA -0.909 61.239 62.100 0.081 0.000 1.010 235 T CB 1.799 70.785 68.868 0.197 0.000 1.264 235 T HN 0.622 nan 8.240 nan 0.000 0.532 236 A N -0.100 122.793 122.820 0.122 0.000 2.588 236 A HA 0.668 4.988 4.320 0.000 0.000 0.290 236 A C -1.396 176.335 177.584 0.246 0.000 1.136 236 A CA -0.919 51.134 52.037 0.027 0.000 0.681 236 A CB 0.629 19.597 19.000 -0.054 0.000 1.282 236 A HN 0.836 nan 8.150 nan 0.000 0.421 237 D N 0.298 120.841 120.400 0.239 0.000 2.533 237 D HA 0.362 5.002 4.640 0.000 0.000 0.236 237 D C 1.301 177.707 176.300 0.177 0.000 1.137 237 D CA 2.404 56.581 54.000 0.295 0.000 0.867 237 D CB 0.730 41.705 40.800 0.291 0.000 1.170 237 D HN 1.541 nan 8.370 nan 0.000 0.474 238 G N 2.233 111.119 108.800 0.142 0.000 2.217 238 G HA2 -0.276 3.684 3.960 0.000 0.000 0.246 238 G HA3 -0.276 3.684 3.960 0.000 0.000 0.246 238 G C 0.642 175.593 174.900 0.086 0.000 0.990 238 G CA 0.237 45.393 45.100 0.093 0.000 0.627 238 G HN 0.585 nan 8.290 nan 0.000 0.522 239 T N 1.345 115.967 114.554 0.112 0.000 2.902 239 T HA 0.389 4.739 4.350 0.000 0.000 0.301 239 T C 0.298 175.056 174.700 0.096 0.000 1.012 239 T CA 0.879 63.044 62.100 0.109 0.000 1.151 239 T CB 1.222 70.189 68.868 0.166 0.000 0.946 239 T HN 0.476 nan 8.240 nan 0.000 0.542 240 K N 3.256 123.692 120.400 0.060 0.000 2.307 240 K HA 0.260 4.580 4.320 0.000 0.000 0.263 240 K C -0.062 176.547 176.600 0.014 0.000 0.973 240 K CA -0.949 55.362 56.287 0.039 0.000 0.846 240 K CB 0.773 33.283 32.500 0.017 0.000 1.100 240 K HN 0.695 nan 8.250 nan 0.000 0.438 241 D N 2.791 123.218 120.400 0.044 0.000 2.414 241 D HA 0.051 4.691 4.640 0.000 0.000 0.251 241 D C 1.060 177.302 176.300 -0.097 0.000 1.252 241 D CA -0.298 53.701 54.000 -0.001 0.000 0.999 241 D CB 0.447 41.347 40.800 0.166 0.000 1.093 241 D HN 0.558 nan 8.370 nan 0.000 0.515 242 G N -1.769 106.903 108.800 -0.213 0.000 2.559 242 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 242 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 242 G C 1.237 176.114 174.900 -0.039 0.000 1.126 242 G CA 1.178 46.196 45.100 -0.137 0.000 0.778 242 G HN 0.712 nan 8.290 nan 0.000 0.543 243 T N -3.529 110.997 114.554 -0.046 0.000 3.086 243 T HA 0.407 4.758 4.350 0.000 0.000 0.250 243 T C 1.720 176.416 174.700 -0.006 0.000 1.074 243 T CA 0.851 62.942 62.100 -0.015 0.000 0.988 243 T CB 0.251 69.109 68.868 -0.017 0.000 0.988 243 T HN 1.186 nan 8.240 nan 0.000 0.530 244 G N 1.388 110.184 108.800 -0.007 0.000 2.141 244 G HA2 -0.250 3.710 3.960 0.000 0.000 0.242 244 G HA3 -0.250 3.710 3.960 0.000 0.000 0.242 244 G C -0.123 174.779 174.900 0.003 0.000 0.982 244 G CA 0.164 45.264 45.100 -0.001 0.000 0.662 244 G HN 0.794 nan 8.290 nan 0.000 0.527 245 K N 0.754 121.157 120.400 0.005 0.000 2.227 245 K HA 0.557 4.877 4.320 0.000 0.000 0.280 245 K C 0.377 176.989 176.600 0.020 0.000 1.041 245 K CA -0.599 55.693 56.287 0.008 0.000 0.905 245 K CB 1.028 33.528 32.500 0.000 0.000 1.068 245 K HN 0.011 nan 8.250 nan 0.000 0.470 246 V N 6.259 126.184 119.914 0.019 0.000 2.498 246 V HA 0.225 4.345 4.120 0.000 0.000 0.279 246 V C 0.519 176.629 176.094 0.027 0.000 1.048 246 V CA -0.628 61.692 62.300 0.033 0.000 0.967 246 V CB 1.067 32.910 31.823 0.032 0.000 0.988 246 V HN 0.696 nan 8.190 nan 0.000 0.473 247 I N 4.506 125.103 120.570 0.044 0.000 2.474 247 I HA 0.536 4.706 4.170 0.000 0.000 0.287 247 I C 1.277 177.421 176.117 0.045 0.000 1.048 247 I CA 1.006 62.312 61.300 0.010 0.000 1.383 247 I CB 0.694 38.707 38.000 0.021 0.000 1.412 247 I HN 0.937 nan 8.210 nan 0.000 0.531 248 G N 5.716 114.498 108.800 -0.029 0.000 2.547 248 G HA2 -0.328 3.633 3.960 0.000 0.000 0.271 248 G HA3 -0.328 3.633 3.960 0.000 0.000 0.271 248 G C 0.082 175.035 174.900 0.089 0.000 1.209 248 G CA -0.162 44.963 45.100 0.042 0.000 0.959 248 G HN 0.691 nan 8.290 nan 0.000 0.563 249 N N 2.084 120.876 118.700 0.154 0.000 2.448 249 N HA 0.502 5.243 4.740 0.000 0.000 0.250 249 N C 1.520 177.085 175.510 0.092 0.000 1.136 249 N CA 1.180 54.300 53.050 0.117 0.000 0.953 249 N CB 0.579 39.157 38.487 0.152 0.000 1.251 249 N HN 1.103 nan 8.380 nan 0.000 0.502 250 A N 4.007 126.862 122.820 0.059 0.000 1.917 250 A HA -0.192 4.128 4.320 0.000 0.000 0.219 250 A C 1.519 179.124 177.584 0.034 0.000 1.182 250 A CA 1.474 53.539 52.037 0.047 0.000 0.633 250 A CB -0.125 18.892 19.000 0.030 0.000 0.819 250 A HN 0.730 nan 8.150 nan 0.000 0.448 251 N N -0.413 118.297 118.700 0.016 0.000 2.236 251 N HA 0.256 4.996 4.740 0.000 0.000 0.196 251 N C 0.406 175.889 175.510 -0.046 0.000 1.114 251 N CA 0.653 53.698 53.050 -0.008 0.000 0.859 251 N CB -0.046 38.434 38.487 -0.012 0.000 0.982 251 N HN 0.446 nan 8.380 nan 0.000 0.493 252 A N 1.131 123.919 122.820 -0.053 0.000 2.540 252 A HA 0.075 4.395 4.320 0.000 0.000 0.239 252 A C -0.077 177.357 177.584 -0.249 0.000 1.061 252 A CA 0.380 52.298 52.037 -0.198 0.000 0.758 252 A CB 0.140 19.059 19.000 -0.134 0.000 0.991 252 A HN 0.041 nan 8.150 nan 0.000 0.502 253 D N 1.743 121.906 120.400 -0.396 0.000 2.440 253 D HA 0.390 5.030 4.640 0.000 0.000 0.252 253 D C -0.915 175.186 176.300 -0.332 0.000 1.180 253 D CA -0.214 53.642 54.000 -0.239 0.000 0.894 253 D CB 0.372 41.106 40.800 -0.110 0.000 1.111 253 D HN 0.411 nan 8.370 nan 0.000 0.544 254 Y N 1.650 121.958 120.300 0.012 0.000 2.524 254 Y HA 0.286 4.836 4.550 0.000 0.000 0.266 254 Y C 0.861 176.759 175.900 -0.004 0.000 1.180 254 Y CA -0.380 57.721 58.100 0.001 0.000 1.244 254 Y CB 0.226 38.676 38.460 -0.018 0.000 1.125 254 Y HN 0.037 nan 8.280 nan 0.000 0.524 255 R N 2.502 123.065 120.500 0.104 0.000 2.449 255 R HA 0.046 4.386 4.340 0.000 0.000 0.296 255 R C 0.374 176.702 176.300 0.047 0.000 1.047 255 R CA -0.235 55.900 56.100 0.058 0.000 1.018 255 R CB 0.178 30.548 30.300 0.117 0.000 0.962 255 R HN 0.304 nan 8.270 nan 0.000 0.428 256 N N 1.708 120.398 118.700 -0.016 0.000 2.418 256 N HA -0.068 4.672 4.740 0.000 0.000 0.283 256 N C 0.573 176.040 175.510 -0.072 0.000 1.267 256 N CA -0.470 52.575 53.050 -0.010 0.000 0.975 256 N CB 0.382 38.868 38.487 -0.000 0.000 1.167 256 N HN 0.645 nan 8.380 nan 0.000 0.581 257 E N -1.381 118.811 120.200 -0.013 0.000 2.418 257 E HA -0.182 4.168 4.350 0.000 0.000 0.197 257 E C 0.688 177.223 176.600 -0.108 0.000 1.026 257 E CA 0.825 57.236 56.400 0.017 0.000 0.862 257 E CB -0.398 29.340 29.700 0.064 0.000 0.799 257 E HN 0.658 nan 8.360 nan 0.000 0.518 258 Q N 0.332 120.037 119.800 -0.158 0.000 2.444 258 Q HA 0.100 4.440 4.340 0.000 0.000 0.206 258 Q C 0.949 176.730 176.000 -0.365 0.000 0.948 258 Q CA 0.364 56.064 55.803 -0.171 0.000 0.946 258 Q CB 0.436 29.134 28.738 -0.066 0.000 1.027 258 Q HN 0.540 nan 8.270 nan 0.000 0.513 259 G N 1.691 110.045 108.800 -0.743 0.000 2.179 259 G HA2 -0.320 3.640 3.960 0.000 0.000 0.257 259 G HA3 -0.320 3.640 3.960 0.000 0.000 0.257 259 G C -0.112 174.551 174.900 -0.394 0.000 1.010 259 G CA 0.221 44.759 45.100 -0.937 0.000 0.736 259 G HN 0.236 nan 8.290 nan 0.000 0.513 260 R N -1.264 119.088 120.500 -0.248 0.000 2.720 260 R HA 0.644 4.984 4.340 0.000 0.000 0.272 260 R C -0.373 175.876 176.300 -0.085 0.000 0.991 260 R CA -0.842 55.180 56.100 -0.130 0.000 1.010 260 R CB 2.087 32.359 30.300 -0.046 0.000 1.141 260 R HN 0.079 nan 8.270 nan 0.000 0.494 261 V N 3.906 123.788 119.914 -0.054 0.000 2.266 261 V HA 0.206 4.326 4.120 0.000 0.000 0.271 261 V C 0.292 176.382 176.094 -0.007 0.000 1.032 261 V CA -0.216 62.076 62.300 -0.012 0.000 0.806 261 V CB 0.829 32.640 31.823 -0.021 0.000 1.052 261 V HN 0.659 nan 8.190 nan 0.000 0.449 262 L N 3.375 124.599 121.223 0.002 0.000 2.959 262 L HA 0.375 4.716 4.340 0.000 0.000 0.259 262 L C 0.640 177.500 176.870 -0.017 0.000 1.185 262 L CA 0.148 54.986 54.840 -0.005 0.000 0.998 262 L CB 0.479 42.541 42.059 0.006 0.000 1.337 262 L HN 0.760 nan 8.230 nan 0.000 0.555 263 S N -1.481 114.190 115.700 -0.048 0.000 2.656 263 S HA 0.877 5.347 4.470 0.000 0.000 0.273 263 S C -0.162 174.182 174.600 -0.427 0.000 1.168 263 S CA -0.246 57.882 58.200 -0.119 0.000 0.817 263 S CB 2.287 65.486 63.200 -0.002 0.000 1.146 263 S HN 0.297 nan 8.310 nan 0.000 0.475 264 G N 0.629 109.048 108.800 -0.636 0.000 2.707 264 G HA2 0.125 4.085 3.960 0.000 0.000 0.686 264 G HA3 0.125 4.085 3.960 0.000 0.000 0.686 264 G C -3.278 171.236 174.900 -0.645 0.000 1.315 264 G CA -0.628 43.727 45.100 -1.242 0.000 0.832 264 G HN 0.808 nan 8.290 nan 0.000 0.573 265 P HA 0.363 nan 4.420 nan 0.000 0.268 265 P C -0.170 176.775 177.300 -0.592 0.000 1.208 265 P CA 0.336 63.184 63.100 -0.421 0.000 0.777 265 P CB 0.492 31.990 31.700 -0.337 0.000 0.875 266 E N 0.713 120.607 120.200 -0.510 0.000 2.272 266 E HA 0.447 4.797 4.350 0.000 0.000 0.269 266 E C -1.097 175.320 176.600 -0.304 0.000 0.877 266 E CA -0.522 55.608 56.400 -0.449 0.000 0.755 266 E CB 1.305 30.895 29.700 -0.184 0.000 1.192 266 E HN 0.342 nan 8.360 nan 0.000 0.422 267 Y N 0.577 120.903 120.300 0.043 0.000 2.562 267 Y HA 0.544 5.094 4.550 0.000 0.000 0.343 267 Y C -0.634 175.341 175.900 0.126 0.000 1.025 267 Y CA -1.287 56.858 58.100 0.075 0.000 1.082 267 Y CB 1.081 39.544 38.460 0.004 0.000 1.264 267 Y HN 0.353 nan 8.280 nan 0.000 0.478 268 L N 1.445 122.826 121.223 0.264 0.000 2.325 268 L HA 0.747 5.087 4.340 0.000 0.000 0.281 268 L C -0.743 176.074 176.870 -0.088 0.000 1.004 268 L CA -0.077 54.823 54.840 0.101 0.000 0.823 268 L CB 1.485 43.492 42.059 -0.087 0.000 1.236 268 L HN 0.692 nan 8.230 nan 0.000 0.415 269 T N 4.152 118.606 114.554 -0.167 0.000 2.841 269 T HA 0.612 4.963 4.350 0.000 0.000 0.283 269 T C -0.830 173.567 174.700 -0.505 0.000 1.000 269 T CA -0.450 61.384 62.100 -0.442 0.000 0.977 269 T CB 1.791 70.215 68.868 -0.741 0.000 0.979 269 T HN 0.309 nan 8.240 nan 0.000 0.446 270 V N 3.964 123.520 119.914 -0.597 0.000 2.370 270 V HA 0.511 4.631 4.120 0.000 0.000 0.279 270 V C -0.797 174.923 176.094 -0.625 0.000 1.029 270 V CA -0.707 61.246 62.300 -0.579 0.000 0.870 270 V CB 0.322 31.613 31.823 -0.886 0.000 0.984 270 V HN 0.744 nan 8.190 nan 0.000 0.451 271 F N 2.096 121.886 119.950 -0.267 0.000 2.450 271 F HA 0.455 4.982 4.527 0.000 0.000 0.332 271 F C 0.541 176.200 175.800 -0.236 0.000 1.093 271 F CA -0.585 57.250 58.000 -0.275 0.000 1.003 271 F CB 1.443 40.234 39.000 -0.348 0.000 1.151 271 F HN 0.426 nan 8.300 nan 0.000 0.474 272 Q N 1.378 121.159 119.800 -0.032 0.000 2.274 272 Q HA 0.153 4.493 4.340 0.000 0.000 0.280 272 Q C 1.222 177.219 176.000 -0.005 0.000 1.047 272 Q CA 0.349 56.144 55.803 -0.014 0.000 0.907 272 Q CB 1.234 29.962 28.738 -0.018 0.000 1.171 272 Q HN 0.997 nan 8.270 nan 0.000 0.381 273 G N 2.004 110.877 108.800 0.122 0.000 2.422 273 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 273 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 273 G C 1.308 176.462 174.900 0.422 0.000 1.146 273 G CA 0.858 46.123 45.100 0.275 0.000 0.769 273 G HN 0.735 nan 8.290 nan 0.000 0.547 274 S N -0.100 115.758 115.700 0.263 0.000 2.436 274 S HA -0.035 4.435 4.470 0.000 0.000 0.228 274 S C 2.006 176.812 174.600 0.344 0.000 1.014 274 S CA 1.800 60.167 58.200 0.279 0.000 0.950 274 S CB -0.199 63.096 63.200 0.159 0.000 0.784 274 S HN 0.526 nan 8.310 nan 0.000 0.504 275 T N -4.399 110.232 114.554 0.128 0.000 2.969 275 T HA 0.531 4.881 4.350 0.000 0.000 0.258 275 T C 1.557 175.915 174.700 -0.570 0.000 0.962 275 T CA 0.618 62.712 62.100 -0.010 0.000 0.903 275 T CB -0.006 68.845 68.868 -0.030 0.000 1.177 275 T HN 1.150 nan 8.240 nan 0.000 0.511 276 G N 2.090 110.172 108.800 -1.196 0.000 2.155 276 G HA2 -0.306 3.654 3.960 0.000 0.000 0.257 276 G HA3 -0.306 3.654 3.960 0.000 0.000 0.257 276 G C -0.047 174.531 174.900 -0.536 0.000 0.983 276 G CA 0.506 44.658 45.100 -1.579 0.000 0.676 276 G HN 0.875 nan 8.290 nan 0.000 0.528 277 K N 1.023 121.269 120.400 -0.257 0.000 2.350 277 K HA 0.306 4.626 4.320 0.000 0.000 0.279 277 K C 0.709 177.319 176.600 0.017 0.000 1.027 277 K CA -0.387 55.858 56.287 -0.070 0.000 0.969 277 K CB 0.357 32.820 32.500 -0.061 0.000 0.954 277 K HN 0.346 nan 8.250 nan 0.000 0.474 278 E N 4.532 124.742 120.200 0.017 0.000 2.480 278 E HA -0.084 4.266 4.350 0.000 0.000 0.258 278 E C 0.150 176.639 176.600 -0.184 0.000 0.984 278 E CA 0.048 56.329 56.400 -0.198 0.000 0.930 278 E CB 0.504 30.091 29.700 -0.189 0.000 0.936 278 E HN 0.629 nan 8.360 nan 0.000 0.466 279 L N 4.266 125.335 121.223 -0.257 0.000 2.269 279 L HA 0.230 4.570 4.340 0.000 0.000 0.200 279 L C 0.551 177.345 176.870 -0.128 0.000 1.069 279 L CA 0.198 54.951 54.840 -0.144 0.000 0.804 279 L CB 0.606 42.590 42.059 -0.126 0.000 0.987 279 L HN 0.386 nan 8.230 nan 0.000 0.468 280 V N -0.807 118.967 119.914 -0.233 0.000 2.969 280 V HA 0.476 4.596 4.120 0.000 0.000 0.304 280 V C -1.402 174.534 176.094 -0.263 0.000 1.192 280 V CA -0.191 62.009 62.300 -0.167 0.000 0.962 280 V CB 2.361 34.168 31.823 -0.026 0.000 1.045 280 V HN 0.066 nan 8.190 nan 0.000 0.428 281 T N 5.516 119.939 114.554 -0.219 0.000 2.848 281 T HA 0.878 5.228 4.350 0.000 0.000 0.285 281 T C -0.385 174.221 174.700 -0.156 0.000 0.995 281 T CA 0.201 62.161 62.100 -0.233 0.000 0.970 281 T CB 1.517 70.197 68.868 -0.313 0.000 0.976 281 T HN 1.274 nan 8.240 nan 0.000 0.441 282 A N 3.140 125.910 122.820 -0.083 0.000 2.435 282 A HA 0.767 5.087 4.320 0.000 0.000 0.296 282 A C -0.278 177.385 177.584 0.131 0.000 1.147 282 A CA -1.059 50.978 52.037 0.001 0.000 0.775 282 A CB 0.818 19.824 19.000 0.009 0.000 1.340 282 A HN 0.854 nan 8.150 nan 0.000 0.427 283 N N -0.058 118.749 118.700 0.179 0.000 2.458 283 N HA 0.240 4.980 4.740 0.000 0.000 0.258 283 N C -0.711 174.935 175.510 0.226 0.000 1.219 283 N CA 0.364 53.573 53.050 0.265 0.000 0.902 283 N CB 0.330 38.932 38.487 0.192 0.000 1.076 283 N HN 0.532 nan 8.380 nan 0.000 0.455 284 F N 2.132 122.146 119.950 0.107 0.000 2.495 284 F HA 0.119 4.646 4.527 0.000 0.000 0.365 284 F C 0.223 176.107 175.800 0.139 0.000 1.090 284 F CA 0.015 58.065 58.000 0.084 0.000 1.235 284 F CB 0.441 39.454 39.000 0.021 0.000 1.119 284 F HN 0.433 nan 8.300 nan 0.000 0.562 285 E N 6.914 126.832 120.200 -0.470 0.000 2.266 285 E HA 0.307 4.657 4.350 0.000 0.000 0.268 285 E C -2.600 173.630 176.600 -0.617 0.000 0.879 285 E CA -2.425 53.801 56.400 -0.291 0.000 0.762 285 E CB 1.729 31.387 29.700 -0.070 0.000 1.199 285 E HN 0.336 nan 8.360 nan 0.000 0.422 286 P HA 0.013 nan 4.420 nan 0.000 0.267 286 P C -0.910 176.605 177.300 0.359 0.000 1.209 286 P CA 0.139 63.343 63.100 0.172 0.000 0.763 286 P CB 0.569 32.460 31.700 0.319 0.000 0.816 287 A N 4.046 127.040 122.820 0.290 0.000 2.406 287 A HA 0.110 4.430 4.320 0.000 0.000 0.243 287 A C 1.759 179.562 177.584 0.364 0.000 1.082 287 A CA -0.187 52.032 52.037 0.303 0.000 0.786 287 A CB 0.032 19.147 19.000 0.192 0.000 1.029 287 A HN 0.602 nan 8.150 nan 0.000 0.495 288 R N 1.036 121.702 120.500 0.278 0.000 2.073 288 R HA 0.043 4.383 4.340 0.000 0.000 0.234 288 R C 1.493 178.042 176.300 0.416 0.000 1.134 288 R CA 1.680 57.952 56.100 0.287 0.000 0.952 288 R CB -0.691 29.684 30.300 0.126 0.000 0.850 288 R HN 1.490 nan 8.270 nan 0.000 0.433 289 G N 0.434 109.377 108.800 0.237 0.000 2.596 289 G HA2 -0.395 3.565 3.960 0.000 0.000 0.295 289 G HA3 -0.395 3.565 3.960 0.000 0.000 0.295 289 G C -0.732 174.256 174.900 0.147 0.000 1.240 289 G CA 0.461 45.654 45.100 0.155 0.000 0.985 289 G HN 0.590 nan 8.290 nan 0.000 0.555 290 N N -0.003 118.763 118.700 0.110 0.000 2.499 290 N HA 0.432 5.172 4.740 0.000 0.000 0.281 290 N C 1.345 176.968 175.510 0.188 0.000 1.098 290 N CA -0.219 52.889 53.050 0.098 0.000 0.979 290 N CB 2.143 40.651 38.487 0.034 0.000 1.121 290 N HN 0.398 nan 8.380 nan 0.000 0.466 291 V N 1.529 121.541 119.914 0.163 0.000 2.317 291 V HA -0.311 3.809 4.120 0.000 0.000 0.251 291 V C 2.216 178.431 176.094 0.202 0.000 1.065 291 V CA 2.378 64.790 62.300 0.186 0.000 1.049 291 V CB -0.740 31.122 31.823 0.065 0.000 0.651 291 V HN 0.918 nan 8.190 nan 0.000 0.450 292 S N -0.563 115.193 115.700 0.093 0.000 2.474 292 S HA -0.206 4.264 4.470 0.000 0.000 0.235 292 S C 1.485 176.081 174.600 -0.006 0.000 0.997 292 S CA 1.289 59.513 58.200 0.040 0.000 0.949 292 S CB -0.539 62.671 63.200 0.016 0.000 0.766 292 S HN 0.602 nan 8.310 nan 0.000 0.517 293 D N 1.088 121.450 120.400 -0.064 0.000 2.221 293 D HA -0.089 4.551 4.640 0.000 0.000 0.204 293 D C 0.789 176.842 176.300 -0.412 0.000 0.982 293 D CA 0.971 54.788 54.000 -0.305 0.000 0.857 293 D CB -0.341 40.141 40.800 -0.529 0.000 0.934 293 D HN 0.729 nan 8.370 nan 0.000 0.475 294 W N -0.224 121.032 121.300 -0.072 0.000 3.197 294 W HA 0.356 5.016 4.660 0.000 0.000 0.274 294 W C 1.547 178.010 176.519 -0.093 0.000 1.297 294 W CA 0.462 57.751 57.345 -0.092 0.000 1.662 294 W CB 0.591 29.971 29.460 -0.133 0.000 1.106 294 W HN 0.076 nan 8.180 nan 0.000 0.663 295 G N 0.542 109.379 108.800 0.062 0.000 2.227 295 G HA2 -0.188 3.772 3.960 0.000 0.000 0.168 295 G HA3 -0.188 3.772 3.960 0.000 0.000 0.168 295 G C -0.513 174.375 174.900 -0.020 0.000 1.006 295 G CA -0.168 44.938 45.100 0.011 0.000 0.684 295 G HN 0.318 nan 8.290 nan 0.000 0.489 296 D N -1.534 118.840 120.400 -0.044 0.000 2.615 296 D HA 0.683 5.323 4.640 0.000 0.000 0.267 296 D C 0.503 176.766 176.300 -0.061 0.000 1.236 296 D CA 0.042 53.998 54.000 -0.074 0.000 0.839 296 D CB 0.776 41.437 40.800 -0.232 0.000 1.380 296 D HN -0.066 nan 8.370 nan 0.000 0.433 297 S N -1.314 114.389 115.700 0.004 0.000 2.523 297 S HA 0.049 4.519 4.470 0.000 0.000 0.217 297 S C 0.723 175.359 174.600 0.060 0.000 0.996 297 S CA -0.264 57.955 58.200 0.032 0.000 0.921 297 S CB -0.369 62.867 63.200 0.060 0.000 0.829 297 S HN 0.594 nan 8.310 nan 0.000 0.495 298 Y N 0.297 120.596 120.300 -0.002 0.000 2.482 298 Y HA 0.534 5.084 4.550 0.000 0.000 0.270 298 Y C 1.180 177.076 175.900 -0.007 0.000 1.152 298 Y CA 0.221 58.316 58.100 -0.007 0.000 1.292 298 Y CB -0.414 38.038 38.460 -0.014 0.000 1.070 298 Y HN 0.105 nan 8.280 nan 0.000 0.528 299 G N 1.112 109.723 108.800 -0.316 0.000 2.145 299 G HA2 -0.318 3.642 3.960 0.000 0.000 0.176 299 G HA3 -0.318 3.642 3.960 0.000 0.000 0.176 299 G C 0.559 175.280 174.900 -0.299 0.000 1.013 299 G CA 0.281 45.253 45.100 -0.213 0.000 0.689 299 G HN 0.472 nan 8.290 nan 0.000 0.506 300 N N 0.385 118.727 118.700 -0.596 0.000 2.244 300 N HA 0.064 4.804 4.740 0.000 0.000 0.189 300 N C 2.239 177.526 175.510 -0.372 0.000 1.047 300 N CA 1.162 53.944 53.050 -0.447 0.000 0.870 300 N CB -0.134 38.004 38.487 -0.582 0.000 1.041 300 N HN 0.488 nan 8.380 nan 0.000 0.448 301 R N 0.313 120.600 120.500 -0.354 0.000 2.120 301 R HA -0.024 4.316 4.340 0.000 0.000 0.234 301 R C 2.101 178.168 176.300 -0.389 0.000 1.123 301 R CA 0.826 56.778 56.100 -0.248 0.000 0.975 301 R CB -0.519 29.732 30.300 -0.082 0.000 0.866 301 R HN 0.122 nan 8.270 nan 0.000 0.446 302 V N 1.406 121.066 119.914 -0.424 0.000 2.469 302 V HA -0.194 3.926 4.120 0.000 0.000 0.251 302 V C 0.227 175.729 176.094 -0.988 0.000 1.064 302 V CA 1.937 63.721 62.300 -0.860 0.000 1.066 302 V CB -0.105 31.406 31.823 -0.520 0.000 0.667 302 V HN 0.239 nan 8.190 nan 0.000 0.461 303 D N 0.263 120.233 120.400 -0.718 0.000 2.755 303 D HA 0.222 4.862 4.640 0.000 0.000 0.257 303 D C 0.006 175.732 176.300 -0.956 0.000 1.291 303 D CA -0.103 53.445 54.000 -0.754 0.000 0.836 303 D CB -0.014 40.707 40.800 -0.132 0.000 1.059 303 D HN 0.289 nan 8.370 nan 0.000 0.486 304 R N 0.953 120.808 120.500 -1.075 0.000 2.287 304 R HA 0.308 4.648 4.340 0.000 0.000 0.327 304 R C -0.493 175.362 176.300 -0.742 0.000 1.109 304 R CA -0.415 55.169 56.100 -0.859 0.000 1.013 304 R CB -0.316 29.270 30.300 -1.189 0.000 1.126 304 R HN -0.037 nan 8.270 nan 0.000 0.503 305 F N 2.503 122.386 119.950 -0.111 0.000 2.458 305 F HA 0.549 5.077 4.527 0.000 0.000 0.330 305 F C 0.650 176.535 175.800 0.142 0.000 1.082 305 F CA -0.686 57.331 58.000 0.029 0.000 0.995 305 F CB 1.258 40.263 39.000 0.008 0.000 1.170 305 F HN 0.083 nan 8.300 nan 0.000 0.478 306 L N 1.490 122.940 121.223 0.379 0.000 2.322 306 L HA 0.992 5.332 4.340 0.000 0.000 0.252 306 L C -0.760 176.274 176.870 0.273 0.000 1.055 306 L CA -1.180 53.821 54.840 0.268 0.000 0.849 306 L CB 2.192 44.361 42.059 0.184 0.000 1.446 306 L HN 0.741 nan 8.230 nan 0.000 0.416 307 A N -0.323 122.615 122.820 0.197 0.000 2.610 307 A HA 0.937 5.258 4.320 0.000 0.000 0.291 307 A C -1.003 176.678 177.584 0.162 0.000 1.086 307 A CA 0.042 52.192 52.037 0.187 0.000 0.677 307 A CB 1.862 20.970 19.000 0.180 0.000 1.278 307 A HN 0.873 nan 8.150 nan 0.000 0.414 308 G N -0.416 108.476 108.800 0.154 0.000 2.623 308 G HA2 0.570 4.530 3.960 0.000 0.000 0.290 308 G HA3 0.570 4.530 3.960 0.000 0.000 0.290 308 G C -1.710 173.251 174.900 0.101 0.000 1.437 308 G CA -0.530 44.675 45.100 0.175 0.000 0.798 308 G HN 0.624 nan 8.290 nan 0.000 0.488 309 I N 0.903 121.513 120.570 0.068 0.000 2.377 309 I HA 0.704 4.874 4.170 0.000 0.000 0.293 309 I C 0.267 176.398 176.117 0.024 0.000 0.987 309 I CA -0.897 60.356 61.300 -0.077 0.000 1.185 309 I CB 1.003 38.768 38.000 -0.391 0.000 1.341 309 I HN 0.751 nan 8.210 nan 0.000 0.455 310 A N 6.055 128.898 122.820 0.038 0.000 2.455 310 A HA 0.598 4.918 4.320 0.000 0.000 0.300 310 A C -1.461 176.227 177.584 0.173 0.000 1.040 310 A CA -0.510 51.627 52.037 0.167 0.000 0.697 310 A CB 0.855 19.956 19.000 0.169 0.000 1.265 310 A HN 0.592 nan 8.150 nan 0.000 0.407 311 Y N 3.622 123.946 120.300 0.040 0.000 2.636 311 Y HA 0.168 4.718 4.550 0.000 0.000 0.334 311 Y C 1.183 177.131 175.900 0.080 0.000 1.286 311 Y CA -0.207 57.925 58.100 0.053 0.000 1.688 311 Y CB -0.000 38.491 38.460 0.053 0.000 1.662 311 Y HN 0.670 nan 8.280 nan 0.000 0.465 312 L N 0.583 121.916 121.223 0.183 0.000 2.191 312 L HA -0.198 4.142 4.340 0.000 0.000 0.212 312 L C 1.656 178.625 176.870 0.165 0.000 1.103 312 L CA 1.255 56.234 54.840 0.232 0.000 0.769 312 L CB -0.186 42.041 42.059 0.281 0.000 0.908 312 L HN 0.571 nan 8.230 nan 0.000 0.438 313 D N -0.991 119.478 120.400 0.116 0.000 2.349 313 D HA 0.073 4.713 4.640 0.000 0.000 0.214 313 D C 1.485 177.826 176.300 0.070 0.000 1.063 313 D CA 0.626 54.670 54.000 0.075 0.000 0.847 313 D CB 0.299 41.141 40.800 0.069 0.000 0.933 313 D HN 0.205 nan 8.370 nan 0.000 0.513 314 G N 0.215 109.089 108.800 0.123 0.000 2.179 314 G HA2 -0.396 3.564 3.960 0.000 0.000 0.260 314 G HA3 -0.396 3.564 3.960 0.000 0.000 0.260 314 G C 0.793 175.823 174.900 0.216 0.000 0.977 314 G CA 0.675 45.856 45.100 0.136 0.000 0.641 314 G HN 0.535 nan 8.290 nan 0.000 0.533 315 Q N -1.297 118.665 119.800 0.271 0.000 2.519 315 Q HA 0.279 4.619 4.340 0.000 0.000 0.248 315 Q C 1.035 177.269 176.000 0.389 0.000 0.804 315 Q CA -0.074 55.925 55.803 0.327 0.000 0.979 315 Q CB 0.893 29.775 28.738 0.239 0.000 1.282 315 Q HN 0.525 nan 8.270 nan 0.000 0.558 316 R N 1.166 121.746 120.500 0.134 0.000 2.807 316 R HA 0.491 4.831 4.340 0.000 0.000 0.276 316 R C -2.684 173.199 176.300 -0.695 0.000 0.979 316 R CA -2.106 53.892 56.100 -0.171 0.000 0.928 316 R CB 1.948 32.239 30.300 -0.014 0.000 1.191 316 R HN 0.107 nan 8.270 nan 0.000 0.471 317 P HA 0.121 nan 4.420 nan 0.000 0.275 317 P C -0.882 176.221 177.300 -0.328 0.000 1.228 317 P CA -0.159 62.421 63.100 -0.867 0.000 0.786 317 P CB 1.297 32.674 31.700 -0.538 0.000 0.927 318 S N 1.089 116.650 115.700 -0.231 0.000 2.634 318 S HA 0.562 5.032 4.470 0.000 0.000 0.296 318 S C -0.617 173.940 174.600 -0.073 0.000 1.104 318 S CA -0.607 57.532 58.200 -0.102 0.000 0.920 318 S CB 1.146 64.295 63.200 -0.086 0.000 1.111 318 S HN 0.417 nan 8.310 nan 0.000 0.493 319 L N 2.648 123.863 121.223 -0.014 0.000 2.307 319 L HA 0.616 4.956 4.340 0.000 0.000 0.284 319 L C -1.435 175.458 176.870 0.037 0.000 1.023 319 L CA -0.322 54.533 54.840 0.026 0.000 0.810 319 L CB 0.625 42.717 42.059 0.054 0.000 1.231 319 L HN 0.469 nan 8.230 nan 0.000 0.423 320 I N 6.125 126.720 120.570 0.042 0.000 2.378 320 I HA 0.417 4.588 4.170 0.000 0.000 0.291 320 I C -0.405 175.784 176.117 0.120 0.000 0.992 320 I CA -0.499 60.819 61.300 0.030 0.000 1.154 320 I CB 1.552 39.587 38.000 0.058 0.000 1.315 320 I HN 0.586 nan 8.210 nan 0.000 0.448 321 M N 5.680 125.365 119.600 0.141 0.000 2.311 321 M HA 0.398 4.878 4.480 0.000 0.000 0.325 321 M C 0.085 176.515 176.300 0.217 0.000 1.061 321 M CA -0.392 55.039 55.300 0.218 0.000 0.957 321 M CB 2.086 34.794 32.600 0.179 0.000 1.646 321 M HN 0.715 nan 8.290 nan 0.000 0.434 322 T N 1.018 115.765 114.554 0.322 0.000 2.924 322 T HA 0.859 5.209 4.350 0.000 0.000 0.291 322 T C -0.721 174.185 174.700 0.344 0.000 1.045 322 T CA -0.907 61.373 62.100 0.300 0.000 1.015 322 T CB 2.971 72.060 68.868 0.369 0.000 1.103 322 T HN 0.799 nan 8.240 nan 0.000 0.496 323 R N 0.376 120.993 120.500 0.194 0.000 2.548 323 R HA 0.565 4.905 4.340 0.000 0.000 0.280 323 R C -0.309 175.926 176.300 -0.108 0.000 1.061 323 R CA 0.379 56.404 56.100 -0.125 0.000 0.915 323 R CB 1.249 31.442 30.300 -0.179 0.000 1.210 323 R HN 1.609 nan 8.270 nan 0.000 0.442 324 G N 2.693 111.268 108.800 -0.375 0.000 2.705 324 G HA2 -0.258 3.702 3.960 0.000 0.000 0.686 324 G HA3 -0.258 3.702 3.960 0.000 0.000 0.686 324 G C -0.743 174.139 174.900 -0.031 0.000 1.285 324 G CA 0.157 45.149 45.100 -0.180 0.000 0.800 324 G HN 0.870 nan 8.290 nan 0.000 0.611 325 Y N -3.417 116.878 120.300 -0.009 0.000 2.493 325 Y HA 0.285 4.836 4.550 0.000 0.000 0.295 325 Y C 2.004 177.824 175.900 -0.133 0.000 0.999 325 Y CA 0.212 58.290 58.100 -0.036 0.000 1.010 325 Y CB -0.422 37.925 38.460 -0.188 0.000 1.402 325 Y HN 0.467 nan 8.280 nan 0.000 0.586 326 Y N 1.747 122.075 120.300 0.046 0.000 2.242 326 Y HA 0.272 4.822 4.550 0.000 0.000 0.291 326 Y C 1.965 177.885 175.900 0.033 0.000 1.137 326 Y CA 1.388 59.493 58.100 0.008 0.000 1.181 326 Y CB -0.209 38.188 38.460 -0.105 0.000 0.989 326 Y HN 0.400 nan 8.280 nan 0.000 0.527 327 A N -0.578 122.355 122.820 0.189 0.000 2.841 327 A HA 0.265 4.585 4.320 0.000 0.000 0.188 327 A C -0.232 177.411 177.584 0.098 0.000 1.149 327 A CA -0.590 51.515 52.037 0.114 0.000 1.384 327 A CB -0.401 18.644 19.000 0.074 0.000 1.874 327 A HN -0.059 nan 8.150 nan 0.000 0.643 328 K N 0.977 121.402 120.400 0.041 0.000 2.530 328 K HA 0.221 4.541 4.320 0.000 0.000 0.280 328 K C -1.162 175.531 176.600 0.156 0.000 1.004 328 K CA 1.060 57.323 56.287 -0.041 0.000 1.071 328 K CB -0.044 32.228 32.500 -0.380 0.000 0.876 328 K HN 0.485 nan 8.250 nan 0.000 0.487 329 T N 5.357 119.980 114.554 0.115 0.000 2.921 329 T HA 0.443 4.794 4.350 0.000 0.000 0.297 329 T C -0.724 174.038 174.700 0.103 0.000 1.013 329 T CA -0.705 61.505 62.100 0.182 0.000 0.990 329 T CB 0.956 69.895 68.868 0.119 0.000 1.023 329 T HN 0.549 nan 8.240 nan 0.000 0.447 330 M N 3.343 123.047 119.600 0.172 0.000 2.518 330 M HA 0.625 5.105 4.480 0.000 0.000 0.300 330 M C -1.726 174.598 176.300 0.040 0.000 1.175 330 M CA -0.899 54.463 55.300 0.104 0.000 0.890 330 M CB 2.240 34.977 32.600 0.229 0.000 1.710 330 M HN 0.301 nan 8.290 nan 0.000 0.453 331 L N 2.372 123.603 121.223 0.014 0.000 2.410 331 L HA 0.789 5.130 4.340 0.000 0.000 0.270 331 L C -0.997 175.925 176.870 0.087 0.000 0.983 331 L CA -0.585 54.288 54.840 0.056 0.000 0.822 331 L CB 2.235 44.331 42.059 0.062 0.000 1.285 331 L HN 0.395 nan 8.230 nan 0.000 0.409 332 V N 1.466 121.327 119.914 -0.088 0.000 2.656 332 V HA 0.895 5.016 4.120 0.000 0.000 0.307 332 V C -0.271 175.414 176.094 -0.682 0.000 1.051 332 V CA -0.724 61.351 62.300 -0.374 0.000 0.893 332 V CB 1.878 33.468 31.823 -0.389 0.000 0.999 332 V HN 0.837 nan 8.190 nan 0.000 0.426 333 A N 3.972 126.072 122.820 -1.199 0.000 2.324 333 A HA 0.927 5.247 4.320 0.000 0.000 0.330 333 A C -1.488 175.557 177.584 -0.898 0.000 1.165 333 A CA -0.387 50.976 52.037 -1.125 0.000 0.813 333 A CB 0.838 18.726 19.000 -1.854 0.000 1.197 333 A HN 0.755 nan 8.150 nan 0.000 0.484 334 Y N 0.776 120.863 120.300 -0.355 0.000 2.545 334 Y HA 0.474 5.024 4.550 0.000 0.000 0.348 334 Y C 0.061 175.881 175.900 -0.133 0.000 1.002 334 Y CA -1.019 56.958 58.100 -0.205 0.000 1.039 334 Y CB 2.100 40.479 38.460 -0.134 0.000 1.271 334 Y HN 0.652 nan 8.280 nan 0.000 0.467 335 N N 1.130 119.887 118.700 0.095 0.000 2.370 335 N HA 0.361 5.102 4.740 0.000 0.000 0.303 335 N C -1.861 173.751 175.510 0.169 0.000 1.103 335 N CA -0.589 52.510 53.050 0.082 0.000 0.848 335 N CB 1.720 40.216 38.487 0.015 0.000 1.235 335 N HN 0.544 nan 8.380 nan 0.000 0.496 336 F N 2.300 122.253 119.950 0.004 0.000 2.430 336 F HA 0.498 5.025 4.527 0.000 0.000 0.362 336 F C -0.615 175.189 175.800 0.007 0.000 1.103 336 F CA -0.503 57.497 58.000 0.000 0.000 1.045 336 F CB 0.440 39.436 39.000 -0.006 0.000 1.276 336 F HN 0.282 nan 8.300 nan 0.000 0.444 337 R N 4.180 124.389 120.500 -0.485 0.000 2.668 337 R HA 0.291 4.631 4.340 0.000 0.000 0.272 337 R C -1.049 175.017 176.300 -0.389 0.000 1.019 337 R CA -0.885 54.988 56.100 -0.379 0.000 0.894 337 R CB 1.758 31.966 30.300 -0.154 0.000 1.228 337 R HN 0.630 nan 8.270 nan 0.000 0.460 338 D N 0.994 121.210 120.400 -0.307 0.000 2.751 338 D HA -0.202 4.438 4.640 0.000 0.000 0.233 338 D C 0.738 176.895 176.300 -0.239 0.000 1.149 338 D CA 1.658 55.533 54.000 -0.209 0.000 0.682 338 D CB -0.962 39.761 40.800 -0.128 0.000 1.068 338 D HN 1.098 nan 8.370 nan 0.000 0.429 339 G N 0.218 108.776 108.800 -0.404 0.000 2.168 339 G HA2 -0.371 3.590 3.960 0.000 0.000 0.263 339 G HA3 -0.371 3.590 3.960 0.000 0.000 0.263 339 G C 0.226 175.026 174.900 -0.166 0.000 0.977 339 G CA 1.246 46.179 45.100 -0.278 0.000 0.659 339 G HN 0.806 nan 8.290 nan 0.000 0.533 340 K N -0.851 119.398 120.400 -0.251 0.000 2.316 340 K HA 0.820 5.140 4.320 0.000 0.000 0.251 340 K C -0.654 175.986 176.600 0.067 0.000 0.934 340 K CA -1.432 54.834 56.287 -0.036 0.000 0.802 340 K CB 2.283 34.763 32.500 -0.034 0.000 1.171 340 K HN 0.279 nan 8.250 nan 0.000 0.426 341 L N 2.790 124.130 121.223 0.194 0.000 2.276 341 L HA 0.418 4.758 4.340 0.000 0.000 0.286 341 L C -1.018 175.932 176.870 0.134 0.000 1.061 341 L CA 0.505 55.472 54.840 0.212 0.000 0.807 341 L CB 1.248 43.394 42.059 0.146 0.000 1.177 341 L HN 0.913 nan 8.230 nan 0.000 0.429 342 S N 3.729 119.512 115.700 0.139 0.000 2.526 342 S HA 0.563 5.033 4.470 0.000 0.000 0.293 342 S C -0.704 173.942 174.600 0.077 0.000 1.092 342 S CA -1.001 57.251 58.200 0.086 0.000 0.980 342 S CB 1.560 64.776 63.200 0.027 0.000 1.048 342 S HN 0.645 nan 8.310 nan 0.000 0.483 343 K N 2.090 122.479 120.400 -0.019 0.000 2.234 343 K HA 0.465 4.785 4.320 0.000 0.000 0.282 343 K C 0.044 176.507 176.600 -0.229 0.000 1.039 343 K CA -0.684 55.447 56.287 -0.259 0.000 0.928 343 K CB 0.504 32.840 32.500 -0.274 0.000 1.039 343 K HN 0.794 nan 8.250 nan 0.000 0.470 344 L N 3.738 124.748 121.223 -0.355 0.000 2.362 344 L HA 0.326 4.666 4.340 0.000 0.000 0.204 344 L C 0.382 177.204 176.870 -0.081 0.000 1.060 344 L CA -0.133 54.568 54.840 -0.231 0.000 0.827 344 L CB 0.007 41.867 42.059 -0.330 0.000 1.027 344 L HN 0.718 nan 8.230 nan 0.000 0.474 345 W N -2.143 119.044 121.300 -0.190 0.000 2.989 345 W HA 0.517 5.177 4.660 0.000 0.000 0.344 345 W C -1.550 174.846 176.519 -0.205 0.000 1.233 345 W CA -0.738 56.505 57.345 -0.171 0.000 1.187 345 W CB 1.026 30.399 29.460 -0.145 0.000 1.443 345 W HN -0.441 nan 8.180 nan 0.000 0.573 346 T N 2.457 117.209 114.554 0.330 0.000 2.881 346 T HA 0.456 4.806 4.350 0.000 0.000 0.290 346 T C -1.391 173.399 174.700 0.150 0.000 1.000 346 T CA -0.538 61.688 62.100 0.209 0.000 0.978 346 T CB 2.108 70.999 68.868 0.038 0.000 0.997 346 T HN 0.383 nan 8.240 nan 0.000 0.443 347 L N 3.300 124.588 121.223 0.109 0.000 2.313 347 L HA 0.727 5.067 4.340 0.000 0.000 0.283 347 L C -1.106 175.727 176.870 -0.062 0.000 1.013 347 L CA -0.284 54.499 54.840 -0.095 0.000 0.816 347 L CB 1.277 43.181 42.059 -0.259 0.000 1.236 347 L HN 0.531 nan 8.230 nan 0.000 0.419 348 D N 1.727 122.086 120.400 -0.068 0.000 2.542 348 D HA 0.221 4.862 4.640 0.000 0.000 0.252 348 D C 0.774 177.048 176.300 -0.042 0.000 1.222 348 D CA 0.157 54.128 54.000 -0.048 0.000 0.895 348 D CB 1.862 42.635 40.800 -0.046 0.000 1.207 348 D HN 0.598 nan 8.370 nan 0.000 0.558 349 S N 1.732 117.417 115.700 -0.025 0.000 2.469 349 S HA -0.175 4.295 4.470 0.000 0.000 0.238 349 S C 1.659 176.242 174.600 -0.027 0.000 0.998 349 S CA 1.238 59.449 58.200 0.019 0.000 0.957 349 S CB -0.275 62.949 63.200 0.041 0.000 0.764 349 S HN 0.373 nan 8.310 nan 0.000 0.514 350 S N -0.110 115.541 115.700 -0.082 0.000 2.562 350 S HA 0.251 4.721 4.470 0.000 0.000 0.221 350 S C 0.444 175.000 174.600 -0.074 0.000 0.975 350 S CA -0.270 57.868 58.200 -0.104 0.000 0.918 350 S CB -0.298 62.797 63.200 -0.174 0.000 0.772 350 S HN 0.264 nan 8.310 nan 0.000 0.531 351 K N 2.858 123.225 120.400 -0.054 0.000 2.298 351 K HA 0.397 4.717 4.320 0.000 0.000 0.280 351 K C -0.069 176.515 176.600 -0.026 0.000 1.032 351 K CA -0.019 56.243 56.287 -0.041 0.000 0.958 351 K CB 0.757 33.234 32.500 -0.038 0.000 0.978 351 K HN 0.126 nan 8.250 nan 0.000 0.472 352 S N 1.605 117.288 115.700 -0.028 0.000 2.575 352 S HA 0.256 4.727 4.470 0.000 0.000 0.295 352 S C 1.277 175.870 174.600 -0.011 0.000 1.267 352 S CA 1.027 59.214 58.200 -0.022 0.000 1.074 352 S CB -0.032 63.153 63.200 -0.025 0.000 0.829 352 S HN 0.808 nan 8.310 nan 0.000 0.497 353 G N 3.624 112.420 108.800 -0.005 0.000 2.232 353 G HA2 -0.213 3.747 3.960 0.000 0.000 0.226 353 G HA3 -0.213 3.747 3.960 0.000 0.000 0.226 353 G C 0.463 175.400 174.900 0.060 0.000 0.996 353 G CA -0.104 45.004 45.100 0.013 0.000 0.626 353 G HN 0.612 nan 8.290 nan 0.000 0.509 354 N N 0.634 119.380 118.700 0.076 0.000 2.214 354 N HA 0.254 4.994 4.740 0.000 0.000 0.214 354 N C 1.479 177.059 175.510 0.117 0.000 1.132 354 N CA 0.632 53.813 53.050 0.219 0.000 0.856 354 N CB 0.346 38.934 38.487 0.167 0.000 1.020 354 N HN 0.491 nan 8.380 nan 0.000 0.509 355 E N 1.174 121.363 120.200 -0.019 0.000 2.160 355 E HA -0.087 4.263 4.350 0.000 0.000 0.195 355 E C 1.756 178.268 176.600 -0.146 0.000 0.991 355 E CA 1.167 57.527 56.400 -0.067 0.000 0.810 355 E CB -0.156 29.501 29.700 -0.071 0.000 0.742 355 E HN 0.329 nan 8.360 nan 0.000 0.466 356 A N -0.139 122.482 122.820 -0.332 0.000 2.121 356 A HA -0.076 4.244 4.320 0.000 0.000 0.218 356 A C 1.076 178.327 177.584 -0.554 0.000 1.154 356 A CA 0.675 52.410 52.037 -0.503 0.000 0.679 356 A CB -0.425 18.149 19.000 -0.710 0.000 0.795 356 A HN 0.218 nan 8.150 nan 0.000 0.458 357 F N -0.213 119.712 119.950 -0.041 0.000 2.660 357 F HA 0.485 5.012 4.527 0.000 0.000 0.302 357 F C 1.163 176.949 175.800 -0.023 0.000 1.103 357 F CA -0.265 57.704 58.000 -0.051 0.000 1.340 357 F CB -0.291 38.645 39.000 -0.106 0.000 1.048 357 F HN 0.178 nan 8.300 nan 0.000 0.551 358 A N -0.407 122.457 122.820 0.074 0.000 2.303 358 A HA 0.615 4.935 4.320 0.000 0.000 0.317 358 A C 1.342 178.978 177.584 0.087 0.000 1.149 358 A CA 0.111 52.196 52.037 0.079 0.000 0.822 358 A CB 0.248 19.266 19.000 0.030 0.000 1.131 358 A HN 0.733 nan 8.150 nan 0.000 0.493 359 G N 0.173 109.050 108.800 0.128 0.000 2.148 359 G HA2 -0.216 3.744 3.960 0.000 0.000 0.254 359 G HA3 -0.216 3.744 3.960 0.000 0.000 0.254 359 G C 0.460 175.437 174.900 0.129 0.000 0.981 359 G CA 0.708 45.885 45.100 0.128 0.000 0.670 359 G HN 0.654 nan 8.290 nan 0.000 0.528 360 Q N -0.415 119.479 119.800 0.157 0.000 2.316 360 Q HA 0.247 4.587 4.340 0.000 0.000 0.235 360 Q C 1.623 177.660 176.000 0.062 0.000 0.863 360 Q CA 0.724 56.604 55.803 0.128 0.000 0.939 360 Q CB 0.385 29.213 28.738 0.151 0.000 1.108 360 Q HN 0.684 nan 8.270 nan 0.000 0.522 361 G N 1.425 110.275 108.800 0.084 0.000 2.569 361 G HA2 0.277 4.237 3.960 0.000 0.000 0.249 361 G HA3 0.277 4.237 3.960 0.000 0.000 0.249 361 G C -0.082 174.394 174.900 -0.707 0.000 1.216 361 G CA -0.231 44.623 45.100 -0.411 0.000 0.845 361 G HN 0.030 nan 8.290 nan 0.000 0.568 362 N N -1.175 116.923 118.700 -1.004 0.000 2.478 362 N HA 0.263 5.003 4.740 0.000 0.000 0.275 362 N C 0.671 175.374 175.510 -1.346 0.000 1.221 362 N CA -0.670 51.755 53.050 -1.042 0.000 0.979 362 N CB 0.550 38.579 38.487 -0.763 0.000 1.202 362 N HN 0.457 nan 8.380 nan 0.000 0.564 363 H N 0.264 118.880 119.070 -0.755 0.000 2.787 363 H HA 0.177 4.734 4.556 0.000 0.000 0.302 363 H C -0.434 174.658 175.328 -0.394 0.000 1.098 363 H CA 0.215 55.928 56.048 -0.558 0.000 1.192 363 H CB -1.048 28.461 29.762 -0.422 0.000 1.316 363 H HN 0.435 nan 8.280 nan 0.000 0.590 364 N N 0.140 118.564 118.700 -0.459 0.000 3.348 364 N HA 0.243 4.984 4.740 0.000 0.000 0.233 364 N C -1.409 173.728 175.510 -0.620 0.000 1.440 364 N CA -0.745 52.039 53.050 -0.442 0.000 0.887 364 N CB 1.747 40.008 38.487 -0.377 0.000 1.410 364 N HN 0.013 nan 8.380 nan 0.000 0.502 365 L N -3.198 117.597 121.223 -0.713 0.000 2.491 365 L HA 0.886 5.226 4.340 0.000 0.000 0.254 365 L C -0.769 175.496 176.870 -1.008 0.000 1.048 365 L CA -0.686 53.744 54.840 -0.683 0.000 0.855 365 L CB 1.412 43.223 42.059 -0.413 0.000 1.466 365 L HN 0.660 nan 8.230 nan 0.000 0.409 366 S N 0.678 116.009 115.700 -0.615 0.000 2.634 366 S HA 0.910 5.380 4.470 0.000 0.000 0.296 366 S C -1.041 173.525 174.600 -0.056 0.000 1.104 366 S CA -0.536 57.415 58.200 -0.415 0.000 0.920 366 S CB 1.852 64.951 63.200 -0.169 0.000 1.111 366 S HN 0.549 nan 8.310 nan 0.000 0.493 367 I N 1.439 122.147 120.570 0.229 0.000 2.499 367 I HA 0.776 4.946 4.170 0.000 0.000 0.288 367 I C -0.322 175.918 176.117 0.203 0.000 1.048 367 I CA -0.424 61.007 61.300 0.218 0.000 1.062 367 I CB 0.974 39.145 38.000 0.286 0.000 1.238 367 I HN 0.832 nan 8.210 nan 0.000 0.426 368 A N 4.003 126.910 122.820 0.144 0.000 2.605 368 A HA 0.485 4.805 4.320 0.000 0.000 0.294 368 A C -1.450 176.197 177.584 0.105 0.000 1.062 368 A CA -0.640 51.470 52.037 0.122 0.000 0.682 368 A CB 1.597 20.664 19.000 0.112 0.000 1.278 368 A HN 0.618 nan 8.150 nan 0.000 0.410 369 D N 1.585 122.040 120.400 0.091 0.000 2.374 369 D HA 0.298 4.938 4.640 0.000 0.000 0.240 369 D C 1.176 177.524 176.300 0.080 0.000 1.229 369 D CA 0.633 54.683 54.000 0.083 0.000 0.895 369 D CB 0.900 41.739 40.800 0.064 0.000 1.046 369 D HN 0.827 nan 8.370 nan 0.000 0.498 370 V N 1.308 121.273 119.914 0.084 0.000 3.307 370 V HA 0.111 4.231 4.120 0.000 0.000 0.253 370 V C 1.024 177.165 176.094 0.077 0.000 1.149 370 V CA 0.973 63.321 62.300 0.081 0.000 1.112 370 V CB -0.061 31.817 31.823 0.091 0.000 0.777 370 V HN 0.449 nan 8.190 nan 0.000 0.464 371 D N 0.161 120.608 120.400 0.079 0.000 2.398 371 D HA 0.288 4.928 4.640 0.000 0.000 0.210 371 D C 1.627 177.962 176.300 0.059 0.000 1.094 371 D CA 0.517 54.561 54.000 0.072 0.000 0.839 371 D CB 0.263 41.112 40.800 0.083 0.000 0.963 371 D HN 0.831 nan 8.370 nan 0.000 0.506 372 G N 1.771 110.604 108.800 0.055 0.000 2.143 372 G HA2 -0.305 3.655 3.960 0.000 0.000 0.249 372 G HA3 -0.305 3.655 3.960 0.000 0.000 0.249 372 G C 0.512 175.432 174.900 0.033 0.000 0.981 372 G CA 0.470 45.597 45.100 0.045 0.000 0.665 372 G HN 0.529 nan 8.290 nan 0.000 0.528 373 D N -0.370 120.046 120.400 0.027 0.000 2.340 373 D HA 0.379 5.019 4.640 0.000 0.000 0.220 373 D C 1.894 178.184 176.300 -0.017 0.000 1.039 373 D CA 0.797 54.797 54.000 0.001 0.000 0.866 373 D CB -0.505 40.288 40.800 -0.011 0.000 0.913 373 D HN 1.547 nan 8.370 nan 0.000 0.523 374 G N -0.038 108.764 108.800 0.004 0.000 2.225 374 G HA2 -0.305 3.655 3.960 0.000 0.000 0.254 374 G HA3 -0.305 3.655 3.960 0.000 0.000 0.254 374 G C 0.184 175.094 174.900 0.016 0.000 0.988 374 G CA 0.271 45.377 45.100 0.011 0.000 0.625 374 G HN 0.491 nan 8.290 nan 0.000 0.527 375 K N 1.077 121.466 120.400 -0.018 0.000 2.138 375 K HA 0.490 4.810 4.320 0.000 0.000 0.263 375 K C -0.951 175.696 176.600 0.079 0.000 0.965 375 K CA -0.911 55.369 56.287 -0.010 0.000 0.868 375 K CB 1.154 33.498 32.500 -0.260 0.000 1.083 375 K HN 0.057 nan 8.250 nan 0.000 0.443 376 D N 2.482 122.972 120.400 0.150 0.000 2.350 376 D HA 0.113 4.753 4.640 0.000 0.000 0.249 376 D C -0.160 176.253 176.300 0.188 0.000 1.119 376 D CA 0.050 54.151 54.000 0.167 0.000 0.886 376 D CB 1.227 42.146 40.800 0.199 0.000 1.195 376 D HN 0.338 nan 8.370 nan 0.000 0.437 377 E N 0.497 120.783 120.200 0.145 0.000 2.243 377 E HA 0.572 4.922 4.350 0.000 0.000 0.260 377 E C -0.361 176.296 176.600 0.096 0.000 0.985 377 E CA -0.644 55.821 56.400 0.108 0.000 0.858 377 E CB 1.552 31.293 29.700 0.068 0.000 1.210 377 E HN 0.285 nan 8.360 nan 0.000 0.411 378 I N 1.803 122.406 120.570 0.055 0.000 2.389 378 I HA 0.264 4.434 4.170 0.000 0.000 0.288 378 I C -0.713 175.411 176.117 0.011 0.000 0.999 378 I CA -0.695 60.643 61.300 0.063 0.000 1.129 378 I CB 1.035 39.099 38.000 0.107 0.000 1.288 378 I HN 0.213 nan 8.210 nan 0.000 0.444 379 I N 6.740 127.306 120.570 -0.006 0.000 2.281 379 I HA 0.124 4.294 4.170 0.000 0.000 0.293 379 I C -0.410 175.676 176.117 -0.052 0.000 1.085 379 I CA -0.075 61.198 61.300 -0.045 0.000 1.257 379 I CB 0.054 38.011 38.000 -0.071 0.000 1.430 379 I HN 0.475 nan 8.210 nan 0.000 0.489 380 F N 6.498 126.345 119.950 -0.171 0.000 2.344 380 F HA 0.539 5.066 4.527 0.000 0.000 0.344 380 F C 1.165 176.861 175.800 -0.173 0.000 1.140 380 F CA 0.189 58.088 58.000 -0.168 0.000 1.256 380 F CB 0.137 39.071 39.000 -0.111 0.000 1.573 380 F HN 0.759 nan 8.300 nan 0.000 0.547 381 G N 1.964 110.555 108.800 -0.348 0.000 2.602 381 G HA2 -0.375 3.585 3.960 0.000 0.000 0.310 381 G HA3 -0.375 3.585 3.960 0.000 0.000 0.310 381 G C 1.107 175.938 174.900 -0.116 0.000 1.183 381 G CA 0.399 45.308 45.100 -0.319 0.000 0.979 381 G HN 0.447 nan 8.290 nan 0.000 0.545 382 S N 1.502 117.193 115.700 -0.015 0.000 2.593 382 S HA 0.341 4.811 4.470 0.000 0.000 0.217 382 S C 1.008 175.699 174.600 0.151 0.000 0.966 382 S CA 1.437 59.696 58.200 0.097 0.000 0.914 382 S CB -0.370 62.897 63.200 0.113 0.000 0.776 382 S HN 0.751 nan 8.310 nan 0.000 0.523 383 M N -0.222 119.442 119.600 0.107 0.000 2.761 383 M HA 0.891 5.371 4.480 0.000 0.000 0.305 383 M C -1.397 174.778 176.300 -0.207 0.000 1.235 383 M CA -1.076 54.236 55.300 0.020 0.000 0.850 383 M CB 1.891 34.608 32.600 0.196 0.000 1.744 383 M HN -0.104 nan 8.290 nan 0.000 0.480 384 A N 1.061 123.551 122.820 -0.550 0.000 2.475 384 A HA 0.800 5.120 4.320 0.000 0.000 0.301 384 A C -1.458 175.870 177.584 -0.427 0.000 1.059 384 A CA -0.722 51.004 52.037 -0.517 0.000 0.710 384 A CB 2.041 20.556 19.000 -0.807 0.000 1.288 384 A HN 0.688 nan 8.150 nan 0.000 0.408 385 V N 1.930 121.657 119.914 -0.312 0.000 2.540 385 V HA 0.351 4.471 4.120 0.000 0.000 0.302 385 V C -0.363 175.555 176.094 -0.294 0.000 1.035 385 V CA -0.664 61.406 62.300 -0.384 0.000 0.873 385 V CB 1.766 33.366 31.823 -0.372 0.000 0.992 385 V HN 1.001 nan 8.190 nan 0.000 0.428 386 D N 1.834 122.008 120.400 -0.376 0.000 2.371 386 D HA 0.086 4.726 4.640 0.000 0.000 0.242 386 D C 1.566 177.677 176.300 -0.315 0.000 1.218 386 D CA -0.121 53.700 54.000 -0.299 0.000 0.945 386 D CB 0.697 41.274 40.800 -0.372 0.000 1.137 386 D HN 0.804 nan 8.370 nan 0.000 0.464 387 H N 0.337 119.351 119.070 -0.093 0.000 2.518 387 H HA -0.098 4.458 4.556 0.000 0.000 0.289 387 H C 0.223 175.572 175.328 0.035 0.000 1.051 387 H CA 1.252 57.325 56.048 0.043 0.000 1.280 387 H CB 0.088 29.896 29.762 0.077 0.000 1.380 387 H HN 0.328 nan 8.280 nan 0.000 0.566 388 D N -0.788 119.177 120.400 -0.724 0.000 2.363 388 D HA 0.143 4.783 4.640 0.000 0.000 0.214 388 D C 1.553 177.014 176.300 -1.399 0.000 1.093 388 D CA 0.323 53.914 54.000 -0.683 0.000 0.837 388 D CB -0.125 40.339 40.800 -0.560 0.000 0.948 388 D HN 0.531 nan 8.370 nan 0.000 0.507 389 G N 0.273 107.896 108.800 -1.961 0.000 2.176 389 G HA2 -0.259 3.701 3.960 0.000 0.000 0.253 389 G HA3 -0.259 3.701 3.960 0.000 0.000 0.253 389 G C 0.112 174.332 174.900 -1.134 0.000 0.979 389 G CA -0.130 43.529 45.100 -2.402 0.000 0.641 389 G HN 0.288 nan 8.290 nan 0.000 0.530 390 K N 1.276 121.182 120.400 -0.824 0.000 2.249 390 K HA 0.497 4.817 4.320 0.000 0.000 0.280 390 K C 1.029 177.247 176.600 -0.637 0.000 1.033 390 K CA 0.158 56.092 56.287 -0.590 0.000 0.946 390 K CB 0.996 33.246 32.500 -0.416 0.000 1.005 390 K HN 0.423 nan 8.250 nan 0.000 0.469 391 G N 2.557 110.872 108.800 -0.809 0.000 2.340 391 G HA2 0.073 4.033 3.960 0.000 0.000 0.245 391 G HA3 0.073 4.033 3.960 0.000 0.000 0.245 391 G C 0.757 175.378 174.900 -0.465 0.000 1.294 391 G CA -0.203 44.147 45.100 -1.249 0.000 0.896 391 G HN 0.571 nan 8.290 nan 0.000 0.522 392 M N 1.530 120.956 119.600 -0.291 0.000 2.398 392 M HA 0.237 4.717 4.480 0.000 0.000 0.261 392 M C 0.200 176.624 176.300 0.206 0.000 1.125 392 M CA 0.934 56.203 55.300 -0.052 0.000 1.183 392 M CB 0.239 32.767 32.600 -0.120 0.000 1.322 392 M HN 0.745 nan 8.290 nan 0.000 0.467 393 Y N -3.320 117.129 120.300 0.249 0.000 2.677 393 Y HA 0.688 5.238 4.550 0.000 0.000 0.334 393 Y C -1.167 174.859 175.900 0.210 0.000 1.196 393 Y CA -2.024 56.189 58.100 0.189 0.000 1.059 393 Y CB 0.925 39.430 38.460 0.075 0.000 1.315 393 Y HN -0.144 nan 8.280 nan 0.000 0.455 394 S N -0.028 115.851 115.700 0.299 0.000 2.557 394 S HA 0.396 4.867 4.470 0.000 0.000 0.291 394 S C 0.403 175.113 174.600 0.184 0.000 1.116 394 S CA 0.002 58.316 58.200 0.191 0.000 0.992 394 S CB 1.242 64.398 63.200 -0.074 0.000 1.028 394 S HN 1.265 nan 8.310 nan 0.000 0.484 395 T N 1.352 116.019 114.554 0.188 0.000 3.085 395 T HA 0.246 4.596 4.350 0.000 0.000 0.263 395 T C 1.603 176.307 174.700 0.006 0.000 1.127 395 T CA 1.041 63.185 62.100 0.074 0.000 1.103 395 T CB -0.594 68.311 68.868 0.063 0.000 0.921 395 T HN 1.861 nan 8.240 nan 0.000 0.510 396 G N 1.242 110.041 108.800 -0.002 0.000 2.189 396 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 396 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 396 G C 0.675 175.535 174.900 -0.065 0.000 0.975 396 G CA 0.478 45.554 45.100 -0.040 0.000 0.644 396 G HN 0.580 nan 8.290 nan 0.000 0.537 397 L N 0.509 121.672 121.223 -0.100 0.000 2.492 397 L HA 0.415 4.755 4.340 0.000 0.000 0.223 397 L C 1.910 178.697 176.870 -0.138 0.000 1.132 397 L CA 0.731 55.416 54.840 -0.258 0.000 0.850 397 L CB -0.506 41.172 42.059 -0.635 0.000 0.966 397 L HN 1.100 nan 8.230 nan 0.000 0.454 398 G N -0.345 108.459 108.800 0.007 0.000 2.741 398 G HA2 -0.348 3.612 3.960 0.000 0.000 0.222 398 G HA3 -0.348 3.612 3.960 0.000 0.000 0.222 398 G C -0.369 174.611 174.900 0.134 0.000 1.364 398 G CA -0.119 45.031 45.100 0.083 0.000 0.866 398 G HN 0.459 nan 8.290 nan 0.000 0.555 399 H N 0.462 119.538 119.070 0.009 0.000 2.897 399 H HA 0.522 5.078 4.556 0.000 0.000 0.347 399 H C 0.868 176.129 175.328 -0.112 0.000 1.068 399 H CA 1.935 57.904 56.048 -0.131 0.000 1.426 399 H CB 0.608 30.282 29.762 -0.146 0.000 1.410 399 H HN 1.351 nan 8.280 nan 0.000 0.597 400 G N 2.647 110.815 108.800 -1.053 0.000 2.788 400 G HA2 0.242 4.202 3.960 0.000 0.000 0.293 400 G HA3 0.242 4.202 3.960 0.000 0.000 0.293 400 G C -0.693 173.678 174.900 -0.882 0.000 1.392 400 G CA -0.546 44.026 45.100 -0.879 0.000 0.810 400 G HN 0.602 nan 8.290 nan 0.000 0.508 401 D N -0.666 119.493 120.400 -0.403 0.000 2.449 401 D HA 0.487 5.127 4.640 0.000 0.000 0.210 401 D C 0.836 177.087 176.300 -0.081 0.000 1.094 401 D CA 0.816 54.786 54.000 -0.049 0.000 0.846 401 D CB 1.221 42.118 40.800 0.160 0.000 1.003 401 D HN 0.619 nan 8.370 nan 0.000 0.504 402 A N 0.223 122.900 122.820 -0.239 0.000 2.539 402 A HA 0.768 5.088 4.320 0.000 0.000 0.296 402 A C -1.919 175.433 177.584 -0.386 0.000 1.073 402 A CA -0.549 51.340 52.037 -0.247 0.000 0.700 402 A CB 1.654 20.580 19.000 -0.124 0.000 1.296 402 A HN 0.038 nan 8.150 nan 0.000 0.405 403 L N 0.977 121.905 121.223 -0.492 0.000 2.565 403 L HA 0.673 5.013 4.340 0.000 0.000 0.261 403 L C -1.859 174.595 176.870 -0.693 0.000 0.932 403 L CA 0.011 54.550 54.840 -0.502 0.000 0.878 403 L CB 2.001 43.766 42.059 -0.491 0.000 1.333 403 L HN 0.850 nan 8.230 nan 0.000 0.409 404 H N 1.982 120.945 119.070 -0.179 0.000 2.924 404 H HA 0.684 5.240 4.556 0.000 0.000 0.333 404 H C -1.094 174.068 175.328 -0.276 0.000 0.979 404 H CA -0.479 55.466 56.048 -0.172 0.000 1.326 404 H CB 1.982 31.683 29.762 -0.102 0.000 1.600 404 H HN 0.502 nan 8.280 nan 0.000 0.520 405 T N 2.696 117.140 114.554 -0.184 0.000 2.791 405 T HA 0.679 5.029 4.350 0.000 0.000 0.288 405 T C 0.298 174.915 174.700 -0.137 0.000 0.999 405 T CA -0.537 61.481 62.100 -0.138 0.000 0.952 405 T CB 1.251 70.090 68.868 -0.048 0.000 0.938 405 T HN 0.844 nan 8.240 nan 0.000 0.444 406 G N 1.455 110.173 108.800 -0.136 0.000 2.490 406 G HA2 0.425 4.385 3.960 0.000 0.000 0.308 406 G HA3 0.425 4.385 3.960 0.000 0.000 0.308 406 G C -1.828 173.088 174.900 0.028 0.000 1.286 406 G CA -0.671 44.414 45.100 -0.026 0.000 0.825 406 G HN 0.437 nan 8.290 nan 0.000 0.479 407 D N 0.915 121.388 120.400 0.121 0.000 2.494 407 D HA 0.345 4.985 4.640 0.000 0.000 0.217 407 D C 1.562 178.002 176.300 0.233 0.000 1.153 407 D CA -0.289 53.814 54.000 0.170 0.000 0.954 407 D CB 0.329 41.271 40.800 0.235 0.000 1.034 407 D HN 0.261 nan 8.370 nan 0.000 0.518 408 L N 1.144 122.462 121.223 0.158 0.000 2.162 408 L HA 0.122 4.462 4.340 0.000 0.000 0.205 408 L C 0.890 177.910 176.870 0.250 0.000 1.086 408 L CA 0.505 55.484 54.840 0.233 0.000 0.778 408 L CB 0.084 42.256 42.059 0.190 0.000 0.928 408 L HN 0.211 nan 8.230 nan 0.000 0.446 409 D N 0.790 121.328 120.400 0.230 0.000 2.472 409 D HA 0.161 4.801 4.640 0.000 0.000 0.234 409 D C -1.805 174.502 176.300 0.012 0.000 1.088 409 D CA -2.318 51.759 54.000 0.130 0.000 0.882 409 D CB 1.498 42.446 40.800 0.247 0.000 1.037 409 D HN -0.077 nan 8.370 nan 0.000 0.520 410 P HA 0.046 nan 4.420 nan 0.000 0.233 410 P C 1.150 178.410 177.300 -0.066 0.000 1.167 410 P CA 0.305 63.317 63.100 -0.146 0.000 0.770 410 P CB 0.375 31.796 31.700 -0.464 0.000 0.837 411 G N -0.462 108.302 108.800 -0.059 0.000 2.813 411 G HA2 -0.076 3.884 3.960 0.000 0.000 0.209 411 G HA3 -0.076 3.884 3.960 0.000 0.000 0.209 411 G C 0.858 175.768 174.900 0.017 0.000 1.150 411 G CA -0.179 44.910 45.100 -0.018 0.000 0.785 411 G HN 0.208 nan 8.290 nan 0.000 0.535 412 R N 0.924 121.446 120.500 0.038 0.000 2.310 412 R HA 0.370 4.711 4.340 0.000 0.000 0.324 412 R C -2.808 173.527 176.300 0.058 0.000 0.955 412 R CA -1.878 54.256 56.100 0.057 0.000 0.830 412 R CB 1.564 31.919 30.300 0.091 0.000 1.154 412 R HN -0.073 nan 8.270 nan 0.000 0.458 413 P HA 0.114 nan 4.420 nan 0.000 0.265 413 P C -0.260 177.072 177.300 0.054 0.000 1.193 413 P CA 0.692 63.823 63.100 0.052 0.000 0.765 413 P CB 0.824 32.550 31.700 0.044 0.000 0.823 414 G N 1.241 110.078 108.800 0.060 0.000 2.592 414 G HA2 -0.087 3.873 3.960 0.000 0.000 0.684 414 G HA3 -0.087 3.873 3.960 0.000 0.000 0.684 414 G C -1.266 173.669 174.900 0.058 0.000 1.291 414 G CA -0.981 44.153 45.100 0.057 0.000 0.891 414 G HN 0.501 nan 8.290 nan 0.000 0.544 415 L N -0.052 121.198 121.223 0.045 0.000 2.416 415 L HA 0.799 5.139 4.340 0.000 0.000 0.262 415 L C 0.398 177.250 176.870 -0.030 0.000 1.093 415 L CA -0.778 54.077 54.840 0.026 0.000 0.801 415 L CB 1.498 43.576 42.059 0.032 0.000 1.191 415 L HN 0.675 nan 8.230 nan 0.000 0.459 416 E N -0.044 120.096 120.200 -0.101 0.000 2.312 416 E HA 0.581 4.931 4.350 0.000 0.000 0.267 416 E C -1.448 174.951 176.600 -0.335 0.000 0.894 416 E CA -0.556 55.678 56.400 -0.277 0.000 0.773 416 E CB 2.664 32.100 29.700 -0.440 0.000 1.241 416 E HN 0.128 nan 8.360 nan 0.000 0.432 417 V N 2.426 122.090 119.914 -0.417 0.000 2.444 417 V HA 0.417 4.537 4.120 0.000 0.000 0.294 417 V C -1.203 174.659 176.094 -0.386 0.000 1.022 417 V CA -0.816 61.296 62.300 -0.313 0.000 0.850 417 V CB 0.907 32.620 31.823 -0.184 0.000 0.992 417 V HN 0.583 nan 8.190 nan 0.000 0.426 418 F N 4.609 124.304 119.950 -0.425 0.000 2.420 418 F HA 0.698 5.226 4.527 0.000 0.000 0.342 418 F C -0.116 175.556 175.800 -0.213 0.000 1.113 418 F CA -0.041 57.767 58.000 -0.321 0.000 1.059 418 F CB 1.353 40.249 39.000 -0.174 0.000 1.128 418 F HN 0.568 nan 8.300 nan 0.000 0.475 419 Q N 5.259 124.483 119.800 -0.960 0.000 2.379 419 Q HA 0.667 5.007 4.340 0.000 0.000 0.278 419 Q C -1.784 173.581 176.000 -1.059 0.000 1.068 419 Q CA -0.983 54.309 55.803 -0.851 0.000 0.816 419 Q CB 2.649 31.033 28.738 -0.590 0.000 1.387 419 Q HN 0.685 nan 8.270 nan 0.000 0.413 420 V N -0.540 118.833 119.914 -0.902 0.000 2.994 420 V HA 0.726 4.846 4.120 0.000 0.000 0.318 420 V C -1.250 174.328 176.094 -0.860 0.000 1.085 420 V CA -0.509 61.365 62.300 -0.709 0.000 0.998 420 V CB 1.793 33.384 31.823 -0.387 0.000 1.063 420 V HN 0.907 nan 8.190 nan 0.000 0.447 421 H N 0.057 119.021 119.070 -0.176 0.000 2.717 421 H HA 0.479 5.036 4.556 0.000 0.000 0.366 421 H C 0.329 175.614 175.328 -0.073 0.000 1.132 421 H CA -0.130 55.836 56.048 -0.137 0.000 1.180 421 H CB 2.584 32.296 29.762 -0.083 0.000 1.678 421 H HN 0.875 nan 8.280 nan 0.000 0.537 422 E N 1.098 121.339 120.200 0.069 0.000 2.276 422 E HA -0.076 4.275 4.350 0.000 0.000 0.193 422 E C -0.035 176.639 176.600 0.124 0.000 0.983 422 E CA 0.078 56.544 56.400 0.110 0.000 0.861 422 E CB 0.474 30.307 29.700 0.221 0.000 0.817 422 E HN 0.504 nan 8.360 nan 0.000 0.485 423 D N 1.292 121.769 120.400 0.128 0.000 2.382 423 D HA -0.068 4.572 4.640 0.000 0.000 0.259 423 D C 0.850 177.190 176.300 0.067 0.000 1.224 423 D CA 0.146 54.204 54.000 0.098 0.000 0.894 423 D CB 1.004 41.856 40.800 0.086 0.000 1.127 423 D HN 0.219 nan 8.370 nan 0.000 0.487 424 K N 2.573 123.007 120.400 0.056 0.000 2.360 424 K HA -0.137 4.183 4.320 0.000 0.000 0.201 424 K C 0.533 177.168 176.600 0.058 0.000 1.046 424 K CA 1.090 57.395 56.287 0.031 0.000 0.945 424 K CB -0.097 32.423 32.500 0.033 0.000 0.750 424 K HN 0.287 nan 8.250 nan 0.000 0.464 425 N N 0.640 119.388 118.700 0.079 0.000 2.280 425 N HA 0.140 4.881 4.740 0.000 0.000 0.192 425 N C -0.426 175.144 175.510 0.101 0.000 1.109 425 N CA -0.239 52.878 53.050 0.112 0.000 0.855 425 N CB 0.706 39.234 38.487 0.069 0.000 0.974 425 N HN 0.266 nan 8.380 nan 0.000 0.482 426 A N 1.277 124.139 122.820 0.070 0.000 2.498 426 A HA -0.012 4.308 4.320 0.000 0.000 0.239 426 A C 1.454 179.070 177.584 0.053 0.000 1.068 426 A CA -0.037 52.005 52.037 0.009 0.000 0.766 426 A CB 0.350 19.329 19.000 -0.034 0.000 1.003 426 A HN 0.287 nan 8.150 nan 0.000 0.497 427 K N 0.617 120.951 120.400 -0.110 0.000 2.113 427 K HA -0.161 4.159 4.320 0.000 0.000 0.208 427 K C -0.706 175.725 176.600 -0.281 0.000 1.047 427 K CA 1.494 57.609 56.287 -0.286 0.000 0.928 427 K CB -0.217 31.948 32.500 -0.558 0.000 0.716 427 K HN 0.683 nan 8.250 nan 0.000 0.446 428 Y N -1.727 118.605 120.300 0.052 0.000 2.442 428 Y HA 0.379 4.929 4.550 0.000 0.000 0.344 428 Y C 0.932 176.853 175.900 0.035 0.000 0.976 428 Y CA -1.019 57.118 58.100 0.061 0.000 1.040 428 Y CB 2.052 40.513 38.460 0.002 0.000 1.228 428 Y HN -0.047 nan 8.280 nan 0.000 0.451 429 G N 1.826 110.757 108.800 0.218 0.000 2.683 429 G HA2 0.233 4.193 3.960 0.000 0.000 0.213 429 G HA3 0.233 4.193 3.960 0.000 0.000 0.213 429 G C -0.134 174.866 174.900 0.167 0.000 1.142 429 G CA 0.137 45.328 45.100 0.152 0.000 0.793 429 G HN 0.483 nan 8.290 nan 0.000 0.534 430 L N -0.949 120.371 121.223 0.161 0.000 2.455 430 L HA 0.802 5.142 4.340 0.000 0.000 0.264 430 L C -0.819 175.996 176.870 -0.091 0.000 0.968 430 L CA -1.035 53.785 54.840 -0.034 0.000 0.827 430 L CB 2.366 44.449 42.059 0.041 0.000 1.317 430 L HN -0.059 nan 8.230 nan 0.000 0.407 431 S N 1.513 117.079 115.700 -0.224 0.000 2.536 431 S HA 0.796 5.266 4.470 0.000 0.000 0.287 431 S C -1.185 173.213 174.600 -0.336 0.000 1.101 431 S CA -0.552 57.483 58.200 -0.276 0.000 0.950 431 S CB 1.990 65.186 63.200 -0.008 0.000 1.056 431 S HN 0.663 nan 8.310 nan 0.000 0.481 432 F N 3.350 122.880 119.950 -0.700 0.000 2.496 432 F HA 0.648 5.175 4.527 0.000 0.000 0.341 432 F C -0.197 175.336 175.800 -0.446 0.000 1.134 432 F CA -0.604 57.011 58.000 -0.643 0.000 0.968 432 F CB 1.258 39.412 39.000 -1.410 0.000 1.205 432 F HN 0.959 nan 8.300 nan 0.000 0.436 433 R N 3.736 124.011 120.500 -0.374 0.000 2.867 433 R HA 0.393 4.733 4.340 0.000 0.000 0.268 433 R C -1.426 174.745 176.300 -0.215 0.000 1.014 433 R CA -1.003 54.967 56.100 -0.217 0.000 0.946 433 R CB 1.466 31.648 30.300 -0.197 0.000 1.208 433 R HN 0.469 nan 8.270 nan 0.000 0.477 434 D N 1.044 121.361 120.400 -0.138 0.000 2.401 434 D HA 0.055 4.695 4.640 0.000 0.000 0.254 434 D C 0.856 177.082 176.300 -0.123 0.000 1.192 434 D CA 0.412 54.349 54.000 -0.106 0.000 0.885 434 D CB 1.664 42.413 40.800 -0.086 0.000 1.147 434 D HN 0.629 nan 8.370 nan 0.000 0.478 435 A N 4.178 126.963 122.820 -0.058 0.000 1.972 435 A HA -0.064 4.256 4.320 0.000 0.000 0.219 435 A C 2.029 179.703 177.584 0.151 0.000 1.169 435 A CA 1.820 53.876 52.037 0.031 0.000 0.635 435 A CB -0.268 18.743 19.000 0.019 0.000 0.810 435 A HN 0.656 nan 8.150 nan 0.000 0.446 436 A N -0.858 122.016 122.820 0.090 0.000 1.903 436 A HA 0.056 4.376 4.320 0.000 0.000 0.213 436 A C 2.333 180.008 177.584 0.153 0.000 1.185 436 A CA 2.108 54.233 52.037 0.147 0.000 0.628 436 A CB -0.767 18.283 19.000 0.083 0.000 0.830 436 A HN 0.721 nan 8.150 nan 0.000 0.446 437 T N -5.491 109.023 114.554 -0.066 0.000 3.015 437 T HA 0.406 4.756 4.350 0.000 0.000 0.250 437 T C 1.502 175.810 174.700 -0.653 0.000 1.057 437 T CA 1.185 63.184 62.100 -0.169 0.000 1.066 437 T CB 0.297 69.100 68.868 -0.108 0.000 0.959 437 T HN 1.660 nan 8.240 nan 0.000 0.488 438 G N 1.823 109.991 108.800 -1.053 0.000 2.179 438 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 438 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 438 G C 0.038 174.622 174.900 -0.526 0.000 0.977 438 G CA 0.345 44.613 45.100 -1.386 0.000 0.641 438 G HN 0.886 nan 8.290 nan 0.000 0.533 439 K N 1.187 121.394 120.400 -0.323 0.000 2.472 439 K HA 0.258 4.579 4.320 0.000 0.000 0.280 439 K C 0.819 177.350 176.600 -0.115 0.000 1.028 439 K CA -0.546 55.648 56.287 -0.155 0.000 1.045 439 K CB 0.041 32.487 32.500 -0.090 0.000 0.902 439 K HN 0.106 nan 8.250 nan 0.000 0.478 440 I N 7.330 127.861 120.570 -0.065 0.000 2.505 440 I HA -0.083 4.087 4.170 0.000 0.000 0.287 440 I C 1.301 177.411 176.117 -0.012 0.000 1.104 440 I CA 0.376 61.643 61.300 -0.055 0.000 1.387 440 I CB 0.233 38.231 38.000 -0.003 0.000 1.404 440 I HN 0.794 nan 8.210 nan 0.000 0.528 441 L N 6.696 127.925 121.223 0.010 0.000 2.127 441 L HA 0.069 4.410 4.340 0.000 0.000 0.203 441 L C 0.458 177.450 176.870 0.203 0.000 1.080 441 L CA 0.883 55.803 54.840 0.133 0.000 0.768 441 L CB -0.052 42.172 42.059 0.275 0.000 0.924 441 L HN 0.681 nan 8.230 nan 0.000 0.444 442 W N -1.328 119.946 121.300 -0.043 0.000 3.153 442 W HA 0.641 5.301 4.660 0.000 0.000 0.316 442 W C -0.832 175.482 176.519 -0.342 0.000 1.255 442 W CA -0.966 56.271 57.345 -0.180 0.000 1.192 442 W CB 0.576 29.922 29.460 -0.189 0.000 1.400 442 W HN -0.138 nan 8.180 nan 0.000 0.568 443 G N 0.159 108.746 108.800 -0.356 0.000 2.677 443 G HA2 0.639 4.599 3.960 0.000 0.000 0.291 443 G HA3 0.639 4.599 3.960 0.000 0.000 0.291 443 G C -2.477 172.301 174.900 -0.202 0.000 1.435 443 G CA -0.795 43.820 45.100 -0.809 0.000 0.826 443 G HN 0.563 nan 8.290 nan 0.000 0.491 444 V N 0.868 120.827 119.914 0.075 0.000 2.577 444 V HA 0.349 4.470 4.120 0.000 0.000 0.303 444 V C -0.890 175.454 176.094 0.417 0.000 1.042 444 V CA -0.906 61.573 62.300 0.299 0.000 0.872 444 V CB 1.503 33.460 31.823 0.225 0.000 0.998 444 V HN 0.789 nan 8.190 nan 0.000 0.423 445 Y N 4.025 124.516 120.300 0.318 0.000 2.526 445 Y HA 0.437 4.988 4.550 0.000 0.000 0.330 445 Y C 0.883 176.881 175.900 0.163 0.000 1.156 445 Y CA 0.661 58.882 58.100 0.203 0.000 1.419 445 Y CB 1.450 39.983 38.460 0.123 0.000 1.250 445 Y HN 0.720 nan 8.280 nan 0.000 0.540 446 A N 3.804 126.305 122.820 -0.532 0.000 2.026 446 A HA 0.357 4.677 4.320 0.000 0.000 0.201 446 A C 1.695 178.867 177.584 -0.686 0.000 1.318 446 A CA 0.470 52.258 52.037 -0.416 0.000 0.857 446 A CB -0.817 18.094 19.000 -0.149 0.000 0.939 446 A HN 1.712 nan 8.150 nan 0.000 0.476 447 G N 0.109 108.238 108.800 -1.117 0.000 2.168 447 G HA2 -0.287 3.673 3.960 0.000 0.000 0.257 447 G HA3 -0.287 3.673 3.960 0.000 0.000 0.257 447 G C 0.066 174.858 174.900 -0.180 0.000 0.997 447 G CA 1.157 45.914 45.100 -0.572 0.000 0.708 447 G HN 1.212 nan 8.290 nan 0.000 0.520 448 K N -1.308 119.000 120.400 -0.153 0.000 2.578 448 K HA 0.534 4.854 4.320 0.000 0.000 0.287 448 K C -1.473 175.117 176.600 -0.018 0.000 1.010 448 K CA -1.027 55.231 56.287 -0.047 0.000 0.889 448 K CB 0.910 33.395 32.500 -0.026 0.000 1.514 448 K HN -0.075 nan 8.250 nan 0.000 0.424 449 D N 1.493 121.905 120.400 0.020 0.000 2.472 449 D HA 0.083 4.723 4.640 0.000 0.000 0.248 449 D C -0.826 175.491 176.300 0.030 0.000 1.174 449 D CA 0.030 54.055 54.000 0.041 0.000 0.883 449 D CB 0.742 41.580 40.800 0.063 0.000 1.149 449 D HN 0.358 nan 8.370 nan 0.000 0.488 450 V N 4.962 124.888 119.914 0.021 0.000 2.294 450 V HA 0.374 4.494 4.120 0.000 0.000 0.272 450 V C 1.483 177.571 176.094 -0.009 0.000 1.027 450 V CA -0.267 62.041 62.300 0.013 0.000 0.823 450 V CB 1.162 32.991 31.823 0.010 0.000 1.030 450 V HN 0.730 nan 8.190 nan 0.000 0.457 451 G N 4.815 113.625 108.800 0.015 0.000 2.777 451 G HA2 0.075 4.035 3.960 0.000 0.000 0.211 451 G HA3 0.075 4.035 3.960 0.000 0.000 0.211 451 G C 0.695 175.593 174.900 -0.003 0.000 1.149 451 G CA 0.013 45.123 45.100 0.017 0.000 0.785 451 G HN 0.442 nan 8.290 nan 0.000 0.536 452 R N -0.711 119.789 120.500 -0.001 0.000 2.725 452 R HA 0.656 4.997 4.340 0.000 0.000 0.277 452 R C -0.775 175.522 176.300 -0.005 0.000 0.987 452 R CA -0.445 55.656 56.100 0.001 0.000 0.901 452 R CB 1.734 32.055 30.300 0.034 0.000 1.207 452 R HN 0.132 nan 8.270 nan 0.000 0.463 453 G N 1.358 110.149 108.800 -0.015 0.000 2.733 453 G HA2 0.619 4.579 3.960 0.000 0.000 0.297 453 G HA3 0.619 4.579 3.960 0.000 0.000 0.297 453 G C -1.193 173.682 174.900 -0.042 0.000 1.422 453 G CA -0.392 44.727 45.100 0.033 0.000 0.942 453 G HN 0.179 nan 8.290 nan 0.000 0.510 454 M N 0.417 119.725 119.600 -0.488 0.000 2.644 454 M HA 0.800 5.280 4.480 0.000 0.000 0.304 454 M C -0.666 174.971 176.300 -1.106 0.000 1.215 454 M CA -0.910 53.740 55.300 -1.083 0.000 0.871 454 M CB 2.189 33.669 32.600 -1.868 0.000 1.740 454 M HN 0.907 nan 8.290 nan 0.000 0.464 455 A N 1.868 124.040 122.820 -1.080 0.000 2.381 455 A HA 0.952 5.272 4.320 0.000 0.000 0.299 455 A C -1.321 176.152 177.584 -0.185 0.000 1.049 455 A CA -0.328 51.402 52.037 -0.513 0.000 0.715 455 A CB 1.294 20.093 19.000 -0.335 0.000 1.222 455 A HN 1.068 nan 8.150 nan 0.000 0.428 456 A N 1.813 124.656 122.820 0.039 0.000 2.583 456 A HA 0.581 4.901 4.320 0.000 0.000 0.298 456 A C -1.598 176.140 177.584 0.256 0.000 1.055 456 A CA -0.547 51.588 52.037 0.165 0.000 0.714 456 A CB 0.985 20.079 19.000 0.157 0.000 1.277 456 A HN 0.776 nan 8.150 nan 0.000 0.406 457 D N 2.059 122.629 120.400 0.283 0.000 2.359 457 D HA 0.305 4.945 4.640 0.000 0.000 0.250 457 D C 1.005 177.456 176.300 0.252 0.000 1.264 457 D CA 0.342 54.524 54.000 0.304 0.000 0.911 457 D CB 0.116 41.141 40.800 0.374 0.000 1.056 457 D HN 0.564 nan 8.370 nan 0.000 0.499 458 I N -0.166 120.533 120.570 0.215 0.000 4.288 458 I HA 0.384 4.555 4.170 0.000 0.000 0.331 458 I C -0.043 176.236 176.117 0.270 0.000 1.322 458 I CA -0.301 61.137 61.300 0.230 0.000 1.149 458 I CB 0.697 38.746 38.000 0.082 0.000 1.112 458 I HN 0.016 nan 8.210 nan 0.000 0.403 459 D N 3.030 123.519 120.400 0.148 0.000 2.542 459 D HA 0.314 4.955 4.640 0.000 0.000 0.252 459 D C -2.153 174.096 176.300 -0.084 0.000 1.222 459 D CA -1.948 52.052 54.000 0.001 0.000 0.895 459 D CB 2.568 43.502 40.800 0.223 0.000 1.207 459 D HN -0.053 nan 8.370 nan 0.000 0.558 460 P HA 0.055 nan 4.420 nan 0.000 0.241 460 P C 0.829 178.062 177.300 -0.111 0.000 1.191 460 P CA 0.174 63.179 63.100 -0.158 0.000 0.771 460 P CB 0.484 32.065 31.700 -0.198 0.000 0.929 461 R N -1.367 119.050 120.500 -0.138 0.000 2.236 461 R HA 0.046 4.386 4.340 0.000 0.000 0.208 461 R C 0.165 176.266 176.300 -0.331 0.000 1.036 461 R CA 0.663 56.653 56.100 -0.184 0.000 1.001 461 R CB -0.278 29.920 30.300 -0.170 0.000 0.896 461 R HN 0.282 nan 8.270 nan 0.000 0.464 462 Y N 0.697 120.979 120.300 -0.030 0.000 2.328 462 Y HA 0.322 4.873 4.550 0.000 0.000 0.333 462 Y C -2.203 173.686 175.900 -0.017 0.000 0.958 462 Y CA -3.332 54.753 58.100 -0.024 0.000 1.167 462 Y CB 1.332 39.778 38.460 -0.024 0.000 1.151 462 Y HN -0.166 nan 8.280 nan 0.000 0.470 463 P HA 0.181 nan 4.420 nan 0.000 0.266 463 P C 0.476 177.752 177.300 -0.039 0.000 1.195 463 P CA 0.907 64.006 63.100 -0.001 0.000 0.768 463 P CB 0.704 32.372 31.700 -0.053 0.000 0.838 464 G N 1.990 110.689 108.800 -0.169 0.000 2.698 464 G HA2 -0.161 3.800 3.960 0.000 0.000 0.225 464 G HA3 -0.161 3.800 3.960 0.000 0.000 0.225 464 G C -1.161 173.868 174.900 0.214 0.000 1.345 464 G CA -0.839 44.114 45.100 -0.246 0.000 0.871 464 G HN 0.542 nan 8.290 nan 0.000 0.540 465 Q N 0.540 120.514 119.800 0.290 0.000 2.267 465 Q HA 0.468 4.808 4.340 0.000 0.000 0.255 465 Q C -0.048 176.067 176.000 0.192 0.000 0.923 465 Q CA -0.411 55.578 55.803 0.312 0.000 0.925 465 Q CB 1.151 30.081 28.738 0.321 0.000 1.195 465 Q HN 0.509 nan 8.270 nan 0.000 0.417 466 E N 0.906 121.207 120.200 0.168 0.000 2.392 466 E HA 0.266 4.616 4.350 0.000 0.000 0.259 466 E C -0.562 176.095 176.600 0.095 0.000 1.108 466 E CA -0.278 56.186 56.400 0.107 0.000 0.916 466 E CB 0.965 30.718 29.700 0.088 0.000 0.989 466 E HN 0.411 nan 8.360 nan 0.000 0.432 467 V N -1.166 118.768 119.914 0.032 0.000 2.876 467 V HA 0.892 5.013 4.120 0.000 0.000 0.312 467 V C -1.558 174.609 176.094 0.122 0.000 1.085 467 V CA -1.059 61.086 62.300 -0.258 0.000 0.945 467 V CB 1.258 32.436 31.823 -1.075 0.000 1.017 467 V HN 0.820 nan 8.190 nan 0.000 0.428 468 W N 2.250 123.474 121.300 -0.127 0.000 3.217 468 W HA 1.011 5.671 4.660 0.000 0.000 0.323 468 W C -0.831 175.841 176.519 0.256 0.000 1.216 468 W CA -0.517 56.875 57.345 0.078 0.000 1.194 468 W CB 1.358 30.767 29.460 -0.086 0.000 1.397 468 W HN 1.286 nan 8.180 nan 0.000 0.537 469 A N 2.697 125.814 122.820 0.494 0.000 2.590 469 A HA 0.521 4.841 4.320 0.000 0.000 0.294 469 A C -0.136 177.640 177.584 0.319 0.000 1.046 469 A CA -0.455 51.795 52.037 0.355 0.000 0.684 469 A CB 1.024 20.236 19.000 0.354 0.000 1.279 469 A HN 1.465 nan 8.150 nan 0.000 0.415 470 N N -0.369 118.458 118.700 0.213 0.000 2.708 470 N HA -0.091 4.649 4.740 0.000 0.000 0.249 470 N C 1.122 176.728 175.510 0.159 0.000 1.097 470 N CA 3.100 56.249 53.050 0.165 0.000 0.710 470 N CB -0.956 37.624 38.487 0.155 0.000 1.032 470 N HN 2.646 nan 8.380 nan 0.000 0.551 471 G N -3.073 105.823 108.800 0.160 0.000 2.159 471 G HA2 -0.240 3.720 3.960 0.000 0.000 0.256 471 G HA3 -0.240 3.720 3.960 0.000 0.000 0.256 471 G C -0.018 174.916 174.900 0.057 0.000 0.977 471 G CA 0.475 45.636 45.100 0.103 0.000 0.652 471 G HN 0.742 nan 8.290 nan 0.000 0.531 472 S N -0.714 115.033 115.700 0.078 0.000 2.542 472 S HA 0.755 5.225 4.470 0.000 0.000 0.293 472 S C -0.682 173.808 174.600 -0.182 0.000 1.089 472 S CA -0.627 57.497 58.200 -0.127 0.000 0.961 472 S CB 2.284 65.340 63.200 -0.241 0.000 1.062 472 S HN 0.925 nan 8.310 nan 0.000 0.483 473 L N 3.214 124.201 121.223 -0.393 0.000 2.317 473 L HA 0.690 5.030 4.340 0.000 0.000 0.281 473 L C -1.864 174.676 176.870 -0.549 0.000 1.024 473 L CA -0.161 54.495 54.840 -0.308 0.000 0.810 473 L CB 0.482 42.334 42.059 -0.345 0.000 1.240 473 L HN 0.672 nan 8.230 nan 0.000 0.427 474 Y N 1.708 121.934 120.300 -0.123 0.000 2.545 474 Y HA 0.577 5.127 4.550 0.000 0.000 0.348 474 Y C 0.460 176.160 175.900 -0.333 0.000 1.002 474 Y CA -0.665 57.268 58.100 -0.278 0.000 1.039 474 Y CB 1.974 40.251 38.460 -0.304 0.000 1.271 474 Y HN 0.714 nan 8.280 nan 0.000 0.467 475 S N 0.536 116.040 115.700 -0.327 0.000 2.608 475 S HA 0.388 4.858 4.470 0.000 0.000 0.261 475 S C 1.281 175.730 174.600 -0.252 0.000 1.314 475 S CA -0.168 57.849 58.200 -0.305 0.000 0.992 475 S CB 1.137 64.135 63.200 -0.336 0.000 0.935 475 S HN 0.930 nan 8.310 nan 0.000 0.564 476 A N 0.773 123.500 122.820 -0.154 0.000 2.131 476 A HA -0.037 4.283 4.320 0.000 0.000 0.220 476 A C 1.850 179.182 177.584 -0.421 0.000 1.158 476 A CA 1.033 52.937 52.037 -0.221 0.000 0.665 476 A CB -0.512 18.494 19.000 0.011 0.000 0.795 476 A HN 0.705 nan 8.150 nan 0.000 0.460 477 K N -1.348 118.821 120.400 -0.385 0.000 2.404 477 K HA 0.184 4.505 4.320 0.000 0.000 0.194 477 K C 1.098 177.083 176.600 -1.024 0.000 1.023 477 K CA 0.705 56.724 56.287 -0.446 0.000 1.094 477 K CB -0.106 32.254 32.500 -0.234 0.000 0.841 477 K HN 0.783 nan 8.250 nan 0.000 0.523 478 G N 1.156 108.993 108.800 -1.604 0.000 2.141 478 G HA2 -0.227 3.733 3.960 0.000 0.000 0.242 478 G HA3 -0.227 3.733 3.960 0.000 0.000 0.242 478 G C 0.038 174.377 174.900 -0.934 0.000 0.982 478 G CA 0.067 43.726 45.100 -2.402 0.000 0.662 478 G HN 0.111 nan 8.290 nan 0.000 0.527 479 V N 1.321 120.910 119.914 -0.541 0.000 2.432 479 V HA 0.328 4.449 4.120 0.000 0.000 0.271 479 V C 1.053 177.006 176.094 -0.235 0.000 1.046 479 V CA -0.221 61.915 62.300 -0.273 0.000 0.945 479 V CB 1.469 33.188 31.823 -0.173 0.000 0.992 479 V HN 0.438 nan 8.190 nan 0.000 0.471 480 K N 5.381 125.686 120.400 -0.159 0.000 2.412 480 K HA 0.297 4.617 4.320 0.000 0.000 0.281 480 K C -0.640 175.787 176.600 -0.290 0.000 1.027 480 K CA -0.141 55.943 56.287 -0.337 0.000 0.989 480 K CB 0.316 32.646 32.500 -0.284 0.000 0.935 480 K HN 0.608 nan 8.250 nan 0.000 0.475 481 I N 5.264 125.623 120.570 -0.351 0.000 2.330 481 I HA 0.231 4.401 4.170 0.000 0.000 0.289 481 I C 0.926 176.980 176.117 -0.104 0.000 1.001 481 I CA -0.107 61.051 61.300 -0.236 0.000 1.193 481 I CB 1.055 38.858 38.000 -0.327 0.000 1.345 481 I HN 1.063 nan 8.210 nan 0.000 0.461 482 G N 5.241 114.027 108.800 -0.024 0.000 2.574 482 G HA2 -0.323 3.637 3.960 0.000 0.000 0.282 482 G HA3 -0.323 3.637 3.960 0.000 0.000 0.282 482 G C 0.540 175.423 174.900 -0.027 0.000 1.257 482 G CA 0.436 45.541 45.100 0.008 0.000 0.956 482 G HN 0.820 nan 8.290 nan 0.000 0.560 483 S N -1.269 114.431 115.700 0.000 0.000 2.649 483 S HA 0.572 5.042 4.470 0.000 0.000 0.246 483 S C 1.113 175.714 174.600 0.003 0.000 1.057 483 S CA 1.013 59.206 58.200 -0.012 0.000 1.051 483 S CB 0.661 63.861 63.200 0.000 0.000 1.018 483 S HN 1.990 nan 8.310 nan 0.000 0.569 484 G N 1.513 110.345 108.800 0.053 0.000 2.531 484 G HA2 0.664 4.624 3.960 0.000 0.000 0.313 484 G HA3 0.664 4.624 3.960 0.000 0.000 0.313 484 G C -0.535 174.362 174.900 -0.005 0.000 1.238 484 G CA -0.299 44.854 45.100 0.089 0.000 0.994 484 G HN 0.968 nan 8.290 nan 0.000 0.493 485 V N -3.153 116.716 119.914 -0.075 0.000 3.040 485 V HA 0.711 4.831 4.120 0.000 0.000 0.312 485 V C -2.739 173.038 176.094 -0.529 0.000 1.115 485 V CA -2.545 59.489 62.300 -0.443 0.000 0.998 485 V CB 1.567 33.228 31.823 -0.270 0.000 1.042 485 V HN 0.559 nan 8.190 nan 0.000 0.433 486 P HA 0.109 nan 4.420 nan 0.000 0.267 486 P C 0.944 178.156 177.300 -0.148 0.000 1.201 486 P CA 0.544 63.255 63.100 -0.649 0.000 0.775 486 P CB 0.514 31.564 31.700 -1.084 0.000 0.854 487 S N -0.469 115.257 115.700 0.044 0.000 2.555 487 S HA 0.023 4.493 4.470 0.000 0.000 0.230 487 S C 0.604 175.264 174.600 0.100 0.000 0.978 487 S CA 0.351 58.597 58.200 0.077 0.000 0.934 487 S CB -0.723 62.526 63.200 0.081 0.000 0.766 487 S HN 0.548 nan 8.310 nan 0.000 0.533 488 S N -0.329 115.462 115.700 0.151 0.000 2.599 488 S HA 0.689 5.159 4.470 0.000 0.000 0.287 488 S C -0.733 174.103 174.600 0.392 0.000 1.105 488 S CA -0.703 57.620 58.200 0.206 0.000 0.899 488 S CB 1.930 65.230 63.200 0.166 0.000 1.100 488 S HN 0.066 nan 8.310 nan 0.000 0.482 489 T N 2.155 116.884 114.554 0.292 0.000 3.542 489 T HA 0.420 4.770 4.350 0.000 0.000 0.276 489 T C -0.040 174.726 174.700 0.110 0.000 1.412 489 T CA -0.551 61.682 62.100 0.222 0.000 1.664 489 T CB -0.116 68.860 68.868 0.180 0.000 0.863 489 T HN 0.642 nan 8.240 nan 0.000 0.661 490 N N 0.715 119.508 118.700 0.155 0.000 3.379 490 N HA 0.402 5.142 4.740 0.000 0.000 0.197 490 N C -1.038 174.707 175.510 0.392 0.000 1.350 490 N CA -0.099 53.085 53.050 0.224 0.000 1.140 490 N CB 0.437 39.019 38.487 0.159 0.000 1.164 490 N HN 0.194 nan 8.380 nan 0.000 0.627 491 F N 0.511 120.471 119.950 0.017 0.000 2.507 491 F HA 0.724 5.251 4.527 0.000 0.000 0.327 491 F C 0.943 176.723 175.800 -0.034 0.000 1.068 491 F CA -1.020 56.969 58.000 -0.018 0.000 0.965 491 F CB 1.641 40.612 39.000 -0.048 0.000 1.192 491 F HN 0.193 nan 8.300 nan 0.000 0.476 492 G N 1.951 110.747 108.800 -0.005 0.000 2.388 492 G HA2 0.655 4.616 3.960 0.000 0.000 0.330 492 G HA3 0.655 4.616 3.960 0.000 0.000 0.330 492 G C -1.715 173.060 174.900 -0.207 0.000 1.142 492 G CA -0.574 44.463 45.100 -0.105 0.000 0.908 492 G HN 0.659 nan 8.290 nan 0.000 0.473 493 I N 0.628 121.089 120.570 -0.182 0.000 2.656 493 I HA 0.417 4.587 4.170 0.000 0.000 0.292 493 I C -1.058 175.000 176.117 -0.098 0.000 1.144 493 I CA -1.359 59.866 61.300 -0.125 0.000 1.038 493 I CB 1.834 39.860 38.000 0.045 0.000 1.244 493 I HN 0.448 nan 8.210 nan 0.000 0.420 494 W N 8.044 129.464 121.300 0.201 0.000 2.416 494 W HA 0.077 4.737 4.660 0.000 0.000 0.318 494 W C 0.278 176.873 176.519 0.126 0.000 1.150 494 W CA -0.265 57.179 57.345 0.165 0.000 1.392 494 W CB 0.697 30.274 29.460 0.195 0.000 1.311 494 W HN 0.729 nan 8.180 nan 0.000 0.436 495 W N 3.122 124.476 121.300 0.090 0.000 3.638 495 W HA -0.095 4.565 4.660 0.000 0.000 0.226 495 W C 0.380 176.871 176.519 -0.047 0.000 1.065 495 W CA 0.478 57.823 57.345 0.001 0.000 1.751 495 W CB 0.303 29.784 29.460 0.034 0.000 0.873 495 W HN 0.219 nan 8.180 nan 0.000 0.786 496 D N -0.526 119.910 120.400 0.060 0.000 2.453 496 D HA 0.255 4.895 4.640 0.000 0.000 0.282 496 D C 1.432 177.693 176.300 -0.066 0.000 1.222 496 D CA 0.320 54.286 54.000 -0.057 0.000 1.079 496 D CB -0.361 40.502 40.800 0.106 0.000 1.128 496 D HN -0.019 nan 8.370 nan 0.000 0.568 497 G N -1.587 107.222 108.800 0.015 0.000 2.777 497 G HA2 0.061 4.021 3.960 0.000 0.000 0.211 497 G HA3 0.061 4.021 3.960 0.000 0.000 0.211 497 G C 0.139 175.225 174.900 0.310 0.000 1.149 497 G CA 0.504 45.663 45.100 0.099 0.000 0.785 497 G HN 0.719 nan 8.290 nan 0.000 0.536 498 D N -0.422 120.155 120.400 0.294 0.000 2.388 498 D HA 0.230 4.871 4.640 0.000 0.000 0.254 498 D C 1.278 177.801 176.300 0.373 0.000 1.111 498 D CA -0.906 53.296 54.000 0.337 0.000 0.993 498 D CB 0.954 41.909 40.800 0.259 0.000 1.118 498 D HN -0.018 nan 8.370 nan 0.000 0.502 499 L N -0.576 120.764 121.223 0.194 0.000 2.552 499 L HA 0.115 4.455 4.340 0.000 0.000 0.227 499 L C 0.744 177.761 176.870 0.245 0.000 1.146 499 L CA -0.005 54.882 54.840 0.078 0.000 0.858 499 L CB -0.488 41.427 42.059 -0.241 0.000 0.969 499 L HN 0.217 nan 8.230 nan 0.000 0.451 500 L N 0.046 121.443 121.223 0.291 0.000 2.473 500 L HA 0.123 4.463 4.340 0.000 0.000 0.268 500 L C 0.675 177.807 176.870 0.435 0.000 1.215 500 L CA 0.021 55.054 54.840 0.323 0.000 0.823 500 L CB 0.258 42.478 42.059 0.269 0.000 1.099 500 L HN 0.115 nan 8.230 nan 0.000 0.483 501 R N 0.717 121.411 120.500 0.323 0.000 2.407 501 R HA 0.297 4.637 4.340 0.000 0.000 0.303 501 R C -0.656 175.723 176.300 0.131 0.000 0.981 501 R CA -0.645 55.518 56.100 0.106 0.000 0.905 501 R CB 1.257 31.417 30.300 -0.234 0.000 1.099 501 R HN 0.522 nan 8.270 nan 0.000 0.459 502 E N 1.517 121.788 120.200 0.118 0.000 2.359 502 E HA 0.192 4.542 4.350 0.000 0.000 0.255 502 E C -0.880 175.789 176.600 0.114 0.000 1.191 502 E CA -0.350 56.145 56.400 0.159 0.000 0.952 502 E CB 0.725 30.550 29.700 0.208 0.000 1.152 502 E HN 0.351 nan 8.360 nan 0.000 0.496 503 Q N 0.082 119.962 119.800 0.134 0.000 2.345 503 Q HA 0.644 4.984 4.340 0.000 0.000 0.268 503 Q C -1.208 174.850 176.000 0.098 0.000 1.054 503 Q CA -0.504 55.389 55.803 0.150 0.000 0.835 503 Q CB 2.111 30.970 28.738 0.202 0.000 1.339 503 Q HN 0.421 nan 8.270 nan 0.000 0.447 504 L N 1.206 122.497 121.223 0.114 0.000 2.386 504 L HA 0.789 5.129 4.340 0.000 0.000 0.271 504 L C -1.750 175.156 176.870 0.060 0.000 0.993 504 L CA -0.392 54.486 54.840 0.064 0.000 0.819 504 L CB 1.891 43.965 42.059 0.025 0.000 1.294 504 L HN 0.588 nan 8.230 nan 0.000 0.414 505 D N 2.358 122.777 120.400 0.032 0.000 2.803 505 D HA 0.444 5.084 4.640 0.000 0.000 0.218 505 D C -0.252 176.044 176.300 -0.008 0.000 1.245 505 D CA 0.850 54.852 54.000 0.002 0.000 0.821 505 D CB 2.248 43.068 40.800 0.033 0.000 1.626 505 D HN 0.785 nan 8.370 nan 0.000 0.487 506 S N 2.488 118.172 115.700 -0.027 0.000 3.938 506 S HA -0.313 4.157 4.470 0.000 0.000 0.624 506 S C 0.454 175.006 174.600 -0.079 0.000 2.186 506 S CA 1.643 59.808 58.200 -0.058 0.000 4.144 506 S CB -1.144 61.996 63.200 -0.099 0.000 0.230 506 S HN 0.845 nan 8.310 nan 0.000 0.755 507 N N 2.130 120.610 118.700 -0.368 0.000 2.376 507 N HA 0.265 5.005 4.740 0.000 0.000 0.249 507 N C -0.154 174.930 175.510 -0.709 0.000 1.140 507 N CA -0.120 52.362 53.050 -0.946 0.000 0.870 507 N CB -0.406 37.464 38.487 -1.028 0.000 1.124 507 N HN 0.524 nan 8.380 nan 0.000 0.505 508 R N 0.041 120.384 120.500 -0.262 0.000 2.686 508 R HA 0.566 4.907 4.340 0.000 0.000 0.286 508 R C -0.641 175.622 176.300 -0.062 0.000 0.969 508 R CA -0.674 55.321 56.100 -0.175 0.000 0.898 508 R CB 2.165 32.392 30.300 -0.121 0.000 1.183 508 R HN 0.096 nan 8.270 nan 0.000 0.456 509 I N 2.280 122.774 120.570 -0.127 0.000 2.406 509 I HA 0.307 4.477 4.170 0.000 0.000 0.290 509 I C -0.626 175.459 176.117 -0.054 0.000 0.999 509 I CA -0.646 60.571 61.300 -0.138 0.000 1.124 509 I CB 1.758 39.511 38.000 -0.412 0.000 1.289 509 I HN 0.402 nan 8.210 nan 0.000 0.441 510 D N 5.751 126.162 120.400 0.019 0.000 2.374 510 D HA 0.443 5.083 4.640 0.000 0.000 0.239 510 D C -0.703 175.669 176.300 0.120 0.000 0.991 510 D CA -0.633 53.407 54.000 0.066 0.000 0.960 510 D CB 2.661 43.509 40.800 0.080 0.000 1.284 510 D HN 0.326 nan 8.370 nan 0.000 0.512 511 K N 0.423 120.906 120.400 0.137 0.000 2.378 511 K HA 0.204 4.524 4.320 0.000 0.000 0.252 511 K C -1.014 175.718 176.600 0.220 0.000 0.931 511 K CA -0.863 55.535 56.287 0.186 0.000 0.794 511 K CB 2.146 34.748 32.500 0.169 0.000 1.181 511 K HN 0.455 nan 8.250 nan 0.000 0.425 512 W N 5.757 127.080 121.300 0.039 0.000 2.345 512 W HA 0.082 4.742 4.660 0.000 0.000 0.308 512 W C -0.494 176.056 176.519 0.053 0.000 1.273 512 W CA -0.094 57.254 57.345 0.004 0.000 1.243 512 W CB 0.851 30.286 29.460 -0.041 0.000 1.260 512 W HN 0.620 nan 8.180 nan 0.000 0.509 513 D N 6.747 126.858 120.400 -0.481 0.000 2.422 513 D HA -0.072 4.568 4.640 0.000 0.000 0.227 513 D C 0.806 176.546 176.300 -0.933 0.000 1.190 513 D CA -0.258 53.410 54.000 -0.553 0.000 0.905 513 D CB 0.103 40.638 40.800 -0.442 0.000 1.034 513 D HN 0.480 nan 8.370 nan 0.000 0.507 514 Y N 2.179 122.143 120.300 -0.560 0.000 2.373 514 Y HA -0.035 4.515 4.550 0.000 0.000 0.293 514 Y C 1.872 177.642 175.900 -0.216 0.000 1.129 514 Y CA 0.671 58.543 58.100 -0.379 0.000 1.226 514 Y CB -0.442 38.078 38.460 0.099 0.000 1.000 514 Y HN 0.287 nan 8.280 nan 0.000 0.549 515 Q N 0.861 120.275 119.800 -0.644 0.000 2.079 515 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 515 Q C 1.200 177.044 176.000 -0.260 0.000 0.974 515 Q CA 1.871 57.458 55.803 -0.361 0.000 0.840 515 Q CB -0.185 28.290 28.738 -0.438 0.000 0.898 515 Q HN 0.711 nan 8.270 nan 0.000 0.430 516 N N -1.267 117.218 118.700 -0.357 0.000 2.254 516 N HA 0.140 4.880 4.740 0.000 0.000 0.190 516 N C 0.179 175.483 175.510 -0.343 0.000 1.107 516 N CA 0.383 53.259 53.050 -0.290 0.000 0.869 516 N CB 1.182 39.510 38.487 -0.265 0.000 0.983 516 N HN 0.241 nan 8.380 nan 0.000 0.487 517 G N 1.107 109.571 108.800 -0.559 0.000 2.272 517 G HA2 -0.208 3.752 3.960 0.000 0.000 0.280 517 G HA3 -0.208 3.752 3.960 0.000 0.000 0.280 517 G C -0.227 174.212 174.900 -0.769 0.000 1.067 517 G CA 0.588 45.292 45.100 -0.660 0.000 0.902 517 G HN 0.381 nan 8.290 nan 0.000 0.500 518 V N -3.910 115.396 119.914 -1.014 0.000 2.971 518 V HA 0.903 5.023 4.120 0.000 0.000 0.309 518 V C 0.250 176.124 176.094 -0.368 0.000 1.130 518 V CA -0.633 61.385 62.300 -0.470 0.000 0.964 518 V CB 1.801 33.484 31.823 -0.233 0.000 1.029 518 V HN 0.570 nan 8.190 nan 0.000 0.427 519 S N 2.234 117.961 115.700 0.045 0.000 2.562 519 S HA 0.636 5.107 4.470 0.000 0.000 0.275 519 S C -0.352 174.268 174.600 0.032 0.000 1.281 519 S CA -0.684 57.601 58.200 0.142 0.000 1.045 519 S CB 0.794 64.123 63.200 0.214 0.000 0.962 519 S HN 0.776 nan 8.310 nan 0.000 0.503 520 K N 1.757 122.178 120.400 0.035 0.000 2.422 520 K HA 0.323 4.643 4.320 0.000 0.000 0.251 520 K C -0.865 175.754 176.600 0.032 0.000 0.933 520 K CA -0.819 55.475 56.287 0.012 0.000 0.798 520 K CB 1.471 33.962 32.500 -0.014 0.000 1.238 520 K HN 0.482 nan 8.250 nan 0.000 0.428 521 N N 2.130 120.840 118.700 0.016 0.000 2.513 521 N HA 0.115 4.855 4.740 0.000 0.000 0.268 521 N C 0.332 175.857 175.510 0.025 0.000 1.180 521 N CA 0.370 53.426 53.050 0.011 0.000 0.948 521 N CB 0.654 39.134 38.487 -0.011 0.000 1.083 521 N HN 0.579 nan 8.380 nan 0.000 0.455 522 M N 1.464 121.082 119.600 0.031 0.000 2.730 522 M HA 0.207 4.687 4.480 0.000 0.000 0.258 522 M C -0.594 175.742 176.300 0.060 0.000 1.279 522 M CA 0.070 55.414 55.300 0.074 0.000 1.183 522 M CB 0.434 33.117 32.600 0.139 0.000 1.291 522 M HN 0.452 nan 8.290 nan 0.000 0.518 523 L N 0.159 121.364 121.223 -0.029 0.000 2.464 523 L HA 0.465 4.805 4.340 0.000 0.000 0.266 523 L C -1.361 175.419 176.870 -0.150 0.000 0.965 523 L CA 0.147 54.945 54.840 -0.070 0.000 0.833 523 L CB 2.361 44.327 42.059 -0.154 0.000 1.296 523 L HN -0.182 nan 8.230 nan 0.000 0.405 524 T N 4.398 118.865 114.554 -0.146 0.000 2.815 524 T HA 0.657 5.007 4.350 0.000 0.000 0.289 524 T C -0.110 174.422 174.700 -0.280 0.000 1.000 524 T CA -0.100 61.863 62.100 -0.229 0.000 0.958 524 T CB 1.339 70.115 68.868 -0.154 0.000 0.944 524 T HN 0.774 nan 8.240 nan 0.000 0.442 525 A N 3.522 126.022 122.820 -0.533 0.000 2.922 525 A HA 0.501 4.822 4.320 0.000 0.000 0.298 525 A C 0.747 178.106 177.584 -0.375 0.000 1.588 525 A CA -0.526 51.176 52.037 -0.558 0.000 1.288 525 A CB -0.386 17.885 19.000 -1.214 0.000 1.130 525 A HN 0.691 nan 8.150 nan 0.000 0.557 526 S N 0.708 116.304 115.700 -0.173 0.000 2.537 526 S HA 0.414 4.884 4.470 0.000 0.000 0.286 526 S C 1.518 176.055 174.600 -0.106 0.000 1.299 526 S CA 0.858 58.983 58.200 -0.126 0.000 1.067 526 S CB 0.661 63.829 63.200 -0.053 0.000 0.864 526 S HN 1.887 nan 8.310 nan 0.000 0.494 527 G N 1.573 110.297 108.800 -0.126 0.000 2.199 527 G HA2 -0.135 3.826 3.960 0.000 0.000 0.254 527 G HA3 -0.135 3.826 3.960 0.000 0.000 0.254 527 G C 0.106 174.917 174.900 -0.148 0.000 0.982 527 G CA -0.066 44.970 45.100 -0.107 0.000 0.632 527 G HN 1.186 nan 8.290 nan 0.000 0.529 528 A N -0.242 122.439 122.820 -0.231 0.000 2.312 528 A HA 1.043 5.363 4.320 0.000 0.000 0.328 528 A C 0.267 177.639 177.584 -0.353 0.000 1.158 528 A CA 0.664 52.539 52.037 -0.271 0.000 0.821 528 A CB 1.584 20.364 19.000 -0.366 0.000 1.170 528 A HN 2.088 nan 8.150 nan 0.000 0.490 529 A N 0.477 123.156 122.820 -0.234 0.000 2.435 529 A HA 0.830 5.150 4.320 0.000 0.000 0.304 529 A C 0.140 177.684 177.584 -0.067 0.000 1.064 529 A CA 0.005 51.928 52.037 -0.189 0.000 0.727 529 A CB 1.126 20.071 19.000 -0.092 0.000 1.284 529 A HN 2.164 nan 8.150 nan 0.000 0.415 530 A N 1.420 124.205 122.820 -0.058 0.000 2.240 530 A HA 0.722 5.042 4.320 0.000 0.000 0.292 530 A C 0.157 177.755 177.584 0.023 0.000 1.121 530 A CA -0.487 51.596 52.037 0.077 0.000 0.851 530 A CB 0.293 19.316 19.000 0.039 0.000 1.167 530 A HN 0.937 nan 8.150 nan 0.000 0.503 531 N N -1.258 117.450 118.700 0.013 0.000 2.545 531 N HA 0.492 5.233 4.740 0.000 0.000 0.289 531 N C -1.047 174.457 175.510 -0.011 0.000 1.279 531 N CA -0.771 52.282 53.050 0.005 0.000 0.824 531 N CB 0.964 39.457 38.487 0.010 0.000 1.395 531 N HN 0.724 nan 8.380 nan 0.000 0.526 532 N N -0.300 118.402 118.700 0.003 0.000 2.780 532 N HA -0.202 4.538 4.740 0.000 0.000 0.248 532 N C 0.561 176.052 175.510 -0.031 0.000 1.102 532 N CA 0.197 53.245 53.050 -0.004 0.000 0.697 532 N CB -1.153 37.331 38.487 -0.005 0.000 1.028 532 N HN 0.934 nan 8.380 nan 0.000 0.554 533 G N 0.258 109.046 108.800 -0.020 0.000 2.622 533 G HA2 -0.507 3.453 3.960 0.000 0.000 0.307 533 G HA3 -0.507 3.453 3.960 0.000 0.000 0.307 533 G C 1.145 176.018 174.900 -0.045 0.000 1.226 533 G CA 1.854 46.939 45.100 -0.026 0.000 0.997 533 G HN 0.903 nan 8.290 nan 0.000 0.551 534 T N -0.840 113.680 114.554 -0.056 0.000 3.007 534 T HA 0.043 4.393 4.350 0.000 0.000 0.270 534 T C 2.011 176.660 174.700 -0.085 0.000 1.107 534 T CA 1.904 63.967 62.100 -0.061 0.000 1.118 534 T CB -0.111 68.723 68.868 -0.057 0.000 0.889 534 T HN 0.514 nan 8.240 nan 0.000 0.506 535 K N 1.861 122.188 120.400 -0.122 0.000 2.148 535 K HA 0.241 4.561 4.320 0.000 0.000 0.204 535 K C 1.579 178.125 176.600 -0.090 0.000 1.050 535 K CA 0.823 57.030 56.287 -0.133 0.000 0.942 535 K CB -1.006 31.383 32.500 -0.185 0.000 0.724 535 K HN 0.642 nan 8.250 nan 0.000 0.446 536 A N 2.006 124.780 122.820 -0.077 0.000 2.560 536 A HA -0.166 4.154 4.320 0.000 0.000 0.299 536 A C 0.411 177.927 177.584 -0.113 0.000 1.484 536 A CA 1.136 53.130 52.037 -0.070 0.000 0.749 536 A CB -2.371 16.594 19.000 -0.058 0.000 1.072 536 A HN 0.466 nan 8.150 nan 0.000 0.426 537 T N -0.804 113.669 114.554 -0.135 0.000 2.907 537 T HA 0.741 5.091 4.350 0.000 0.000 0.284 537 T C -2.044 172.537 174.700 -0.199 0.000 1.004 537 T CA -1.687 60.245 62.100 -0.281 0.000 1.063 537 T CB 2.095 70.840 68.868 -0.205 0.000 0.992 537 T HN 0.421 nan 8.240 nan 0.000 0.483 538 P HA 0.186 nan 4.420 nan 0.000 0.274 538 P C 0.811 177.986 177.300 -0.208 0.000 1.237 538 P CA -0.312 62.591 63.100 -0.329 0.000 0.793 538 P CB 0.531 31.805 31.700 -0.711 0.000 0.977 539 T N 0.223 114.690 114.554 -0.145 0.000 2.699 539 T HA -0.087 4.263 4.350 0.000 0.000 0.268 539 T C 0.731 175.379 174.700 -0.086 0.000 1.036 539 T CA 1.538 63.584 62.100 -0.089 0.000 1.147 539 T CB -0.416 68.403 68.868 -0.081 0.000 0.862 539 T HN 0.334 nan 8.240 nan 0.000 0.446 540 L N -0.224 120.911 121.223 -0.146 0.000 2.591 540 L HA 0.415 4.755 4.340 0.000 0.000 0.257 540 L C -1.623 175.168 176.870 -0.131 0.000 0.935 540 L CA -0.573 54.213 54.840 -0.090 0.000 0.873 540 L CB 2.237 44.263 42.059 -0.056 0.000 1.397 540 L HN -0.035 nan 8.230 nan 0.000 0.414 541 Q N 3.436 123.220 119.800 -0.027 0.000 2.333 541 Q HA 0.895 5.235 4.340 0.000 0.000 0.268 541 Q C -1.671 174.350 176.000 0.036 0.000 1.007 541 Q CA -0.353 55.451 55.803 0.002 0.000 0.810 541 Q CB 1.864 30.676 28.738 0.124 0.000 1.264 541 Q HN 0.962 nan 8.270 nan 0.000 0.452 542 A N 3.233 126.108 122.820 0.092 0.000 2.594 542 A HA 0.255 4.575 4.320 0.000 0.000 0.296 542 A C -1.670 176.048 177.584 0.223 0.000 1.056 542 A CA -0.776 51.366 52.037 0.175 0.000 0.693 542 A CB 1.529 20.551 19.000 0.037 0.000 1.278 542 A HN 0.786 nan 8.150 nan 0.000 0.408 543 D N 1.793 122.371 120.400 0.297 0.000 2.441 543 D HA 0.310 4.950 4.640 0.000 0.000 0.243 543 D C 0.826 177.227 176.300 0.169 0.000 1.257 543 D CA -0.082 54.023 54.000 0.175 0.000 1.027 543 D CB 0.038 40.881 40.800 0.073 0.000 1.084 543 D HN 0.485 nan 8.370 nan 0.000 0.514 544 L N 1.783 123.110 121.223 0.174 0.000 2.638 544 L HA 0.348 4.688 4.340 0.000 0.000 0.232 544 L C -0.194 176.841 176.870 0.273 0.000 1.099 544 L CA -0.200 54.781 54.840 0.236 0.000 0.883 544 L CB -0.699 41.458 42.059 0.163 0.000 1.136 544 L HN 0.235 nan 8.230 nan 0.000 0.492 545 L N -3.671 117.665 121.223 0.188 0.000 2.720 545 L HA 1.036 5.376 4.340 0.000 0.000 0.261 545 L C 0.305 177.220 176.870 0.074 0.000 1.046 545 L CA -0.184 54.741 54.840 0.142 0.000 0.886 545 L CB 0.760 42.918 42.059 0.164 0.000 1.493 545 L HN 0.248 nan 8.230 nan 0.000 0.407 546 G N 0.528 109.353 108.800 0.041 0.000 2.601 546 G HA2 -0.102 3.858 3.960 0.000 0.000 0.252 546 G HA3 -0.102 3.858 3.960 0.000 0.000 0.252 546 G C -0.452 174.419 174.900 -0.049 0.000 1.294 546 G CA 0.539 45.628 45.100 -0.018 0.000 0.912 546 G HN 1.492 nan 8.290 nan 0.000 0.574 547 D N -0.459 119.857 120.400 -0.141 0.000 2.376 547 D HA 0.226 4.866 4.640 0.000 0.000 0.268 547 D C 1.872 178.125 176.300 -0.080 0.000 1.252 547 D CA 0.371 54.280 54.000 -0.151 0.000 1.041 547 D CB -0.455 40.186 40.800 -0.265 0.000 1.109 547 D HN 0.961 nan 8.370 nan 0.000 0.552 548 W N -1.014 120.226 121.300 -0.101 0.000 2.468 548 W HA 0.026 4.686 4.660 0.000 0.000 0.262 548 W C -0.044 176.449 176.519 -0.044 0.000 1.241 548 W CA -0.486 56.806 57.345 -0.089 0.000 1.232 548 W CB -0.853 28.532 29.460 -0.125 0.000 1.124 548 W HN -0.015 nan 8.180 nan 0.000 0.597 549 R N 2.237 122.351 120.500 -0.642 0.000 2.694 549 R HA 0.076 4.416 4.340 0.000 0.000 0.268 549 R C 0.131 176.408 176.300 -0.039 0.000 1.061 549 R CA 0.227 56.052 56.100 -0.459 0.000 1.133 549 R CB 0.317 30.246 30.300 -0.619 0.000 1.020 549 R HN 0.104 nan 8.270 nan 0.000 0.475 550 E N 1.459 121.762 120.200 0.171 0.000 2.283 550 E HA 0.097 4.447 4.350 0.000 0.000 0.278 550 E C -0.508 176.275 176.600 0.306 0.000 1.027 550 E CA -0.479 56.078 56.400 0.261 0.000 0.843 550 E CB 1.053 30.953 29.700 0.334 0.000 1.062 550 E HN 0.331 nan 8.360 nan 0.000 0.401 551 E N 0.913 121.263 120.200 0.251 0.000 2.349 551 E HA 0.269 4.619 4.350 0.000 0.000 0.262 551 E C -0.874 175.816 176.600 0.150 0.000 1.088 551 E CA -0.413 56.161 56.400 0.291 0.000 0.899 551 E CB 1.157 31.008 29.700 0.252 0.000 1.044 551 E HN 0.122 nan 8.360 nan 0.000 0.420 552 V N 1.590 121.548 119.914 0.074 0.000 2.540 552 V HA 0.374 4.494 4.120 0.000 0.000 0.302 552 V C -0.680 175.295 176.094 -0.198 0.000 1.035 552 V CA -0.974 61.134 62.300 -0.321 0.000 0.873 552 V CB 1.872 33.110 31.823 -0.975 0.000 0.992 552 V HN 0.366 nan 8.190 nan 0.000 0.428 553 V N 3.838 123.588 119.914 -0.273 0.000 2.328 553 V HA 0.450 4.570 4.120 0.000 0.000 0.278 553 V C -0.736 175.233 176.094 -0.208 0.000 1.021 553 V CA -0.472 61.762 62.300 -0.111 0.000 0.838 553 V CB 1.229 33.017 31.823 -0.057 0.000 0.999 553 V HN 0.776 nan 8.190 nan 0.000 0.447 554 W N 4.353 125.664 121.300 0.018 0.000 2.666 554 W HA 0.565 5.225 4.660 0.000 0.000 0.334 554 W C 0.411 176.887 176.519 -0.072 0.000 1.051 554 W CA -0.984 56.326 57.345 -0.057 0.000 1.224 554 W CB 2.173 31.579 29.460 -0.091 0.000 1.405 554 W HN 0.632 nan 8.180 nan 0.000 0.513 555 R N 0.123 120.708 120.500 0.141 0.000 2.679 555 R HA 0.395 4.735 4.340 0.000 0.000 0.269 555 R C 0.579 176.889 176.300 0.016 0.000 1.076 555 R CA -0.254 55.861 56.100 0.025 0.000 1.160 555 R CB 0.136 30.423 30.300 -0.022 0.000 1.054 555 R HN 0.377 nan 8.270 nan 0.000 0.507 556 T N -1.287 113.253 114.554 -0.023 0.000 2.813 556 T HA 0.053 4.403 4.350 0.000 0.000 0.297 556 T C 0.936 175.622 174.700 -0.023 0.000 1.036 556 T CA -0.499 61.577 62.100 -0.041 0.000 1.044 556 T CB 0.909 69.752 68.868 -0.042 0.000 0.993 556 T HN 0.728 nan 8.240 nan 0.000 0.535 557 E N 0.815 120.994 120.200 -0.034 0.000 2.118 557 E HA -0.172 4.178 4.350 0.000 0.000 0.195 557 E C 1.416 178.024 176.600 0.012 0.000 0.992 557 E CA 1.519 57.906 56.400 -0.021 0.000 0.804 557 E CB -0.097 29.583 29.700 -0.034 0.000 0.741 557 E HN 0.878 nan 8.360 nan 0.000 0.458 558 D N -0.958 119.454 120.400 0.020 0.000 2.339 558 D HA 0.024 4.665 4.640 0.000 0.000 0.217 558 D C 0.055 176.410 176.300 0.090 0.000 1.050 558 D CA 0.164 54.193 54.000 0.047 0.000 0.856 558 D CB 0.260 41.079 40.800 0.032 0.000 0.922 558 D HN -0.158 nan 8.370 nan 0.000 0.518 559 S N -1.136 114.618 115.700 0.089 0.000 3.521 559 S HA -0.245 4.226 4.470 0.000 0.000 0.328 559 S C 1.313 176.017 174.600 0.174 0.000 1.165 559 S CA 0.855 59.142 58.200 0.144 0.000 0.941 559 S CB -2.265 61.116 63.200 0.303 0.000 0.951 559 S HN 0.656 nan 8.310 nan 0.000 0.539 560 S N -0.627 115.124 115.700 0.086 0.000 2.489 560 S HA 0.566 5.036 4.470 0.000 0.000 0.228 560 S C 0.607 175.216 174.600 0.014 0.000 0.995 560 S CA 0.402 58.639 58.200 0.062 0.000 0.934 560 S CB 0.173 63.391 63.200 0.030 0.000 0.771 560 S HN 1.480 nan 8.310 nan 0.000 0.522 561 A N 0.248 123.054 122.820 -0.024 0.000 2.612 561 A HA 0.703 5.023 4.320 0.000 0.000 0.293 561 A C -1.312 176.205 177.584 -0.113 0.000 1.075 561 A CA -0.944 51.038 52.037 -0.091 0.000 0.680 561 A CB 0.802 19.750 19.000 -0.087 0.000 1.279 561 A HN 0.302 nan 8.150 nan 0.000 0.411 562 L N 0.999 122.128 121.223 -0.157 0.000 2.322 562 L HA 0.614 4.954 4.340 0.000 0.000 0.279 562 L C 0.233 177.054 176.870 -0.082 0.000 1.036 562 L CA -0.528 54.245 54.840 -0.113 0.000 0.807 562 L CB 1.553 43.527 42.059 -0.142 0.000 1.226 562 L HN 0.728 nan 8.230 nan 0.000 0.433 563 R N 3.490 123.981 120.500 -0.015 0.000 2.387 563 R HA 0.584 4.924 4.340 0.000 0.000 0.314 563 R C -0.976 175.400 176.300 0.127 0.000 0.958 563 R CA -0.593 55.492 56.100 -0.026 0.000 0.846 563 R CB 1.871 32.048 30.300 -0.206 0.000 1.147 563 R HN 0.518 nan 8.270 nan 0.000 0.447 564 I N 3.999 124.632 120.570 0.106 0.000 2.307 564 I HA 0.231 4.401 4.170 0.000 0.000 0.289 564 I C -0.605 175.727 176.117 0.360 0.000 1.021 564 I CA -0.627 60.819 61.300 0.243 0.000 1.224 564 I CB 0.556 38.708 38.000 0.252 0.000 1.376 564 I HN 0.419 nan 8.210 nan 0.000 0.470 565 Y N 4.139 124.681 120.300 0.403 0.000 2.320 565 Y HA 0.355 4.905 4.550 0.000 0.000 0.334 565 Y C 0.768 177.017 175.900 0.581 0.000 1.055 565 Y CA -0.141 58.294 58.100 0.558 0.000 1.143 565 Y CB 1.738 40.496 38.460 0.497 0.000 1.193 565 Y HN 0.410 nan 8.280 nan 0.000 0.477 566 T N 2.302 117.239 114.554 0.637 0.000 2.863 566 T HA 0.224 4.574 4.350 0.000 0.000 0.285 566 T C -0.304 174.354 174.700 -0.071 0.000 1.009 566 T CA -0.557 61.700 62.100 0.263 0.000 0.989 566 T CB 1.076 69.957 68.868 0.021 0.000 1.004 566 T HN 0.661 nan 8.240 nan 0.000 0.455 567 T N 1.673 115.822 114.554 -0.676 0.000 2.926 567 T HA 0.304 4.654 4.350 0.000 0.000 0.307 567 T C 1.284 175.407 174.700 -0.961 0.000 1.059 567 T CA 0.324 61.705 62.100 -1.198 0.000 1.122 567 T CB 0.345 68.197 68.868 -1.694 0.000 0.972 567 T HN 0.814 nan 8.240 nan 0.000 0.545 568 T N 2.240 116.193 114.554 -1.002 0.000 3.182 568 T HA 0.371 4.721 4.350 0.000 0.000 0.277 568 T C 0.477 174.451 174.700 -1.210 0.000 1.013 568 T CA -0.384 60.748 62.100 -1.613 0.000 0.900 568 T CB -0.469 67.897 68.868 -0.836 0.000 1.098 568 T HN 0.520 nan 8.240 nan 0.000 0.543 569 I N 3.323 123.395 120.570 -0.830 0.000 2.379 569 I HA 0.304 4.474 4.170 0.000 0.000 0.290 569 I C -2.280 173.664 176.117 -0.287 0.000 1.063 569 I CA -2.529 58.507 61.300 -0.441 0.000 1.351 569 I CB 0.786 38.579 38.000 -0.344 0.000 1.410 569 I HN -0.007 nan 8.210 nan 0.000 0.505 570 P HA 0.061 nan 4.420 nan 0.000 0.269 570 P C -0.397 176.909 177.300 0.010 0.000 1.209 570 P CA -0.104 63.047 63.100 0.084 0.000 0.776 570 P CB 0.701 32.436 31.700 0.058 0.000 0.876 571 T N -0.206 114.361 114.554 0.022 0.000 2.900 571 T HA 0.229 4.579 4.350 0.000 0.000 0.295 571 T C 0.803 175.494 174.700 -0.015 0.000 1.044 571 T CA -0.612 61.519 62.100 0.051 0.000 0.995 571 T CB 0.897 69.863 68.868 0.163 0.000 1.072 571 T HN 0.511 nan 8.240 nan 0.000 0.473 572 E N 2.022 122.150 120.200 -0.120 0.000 2.489 572 E HA 0.044 4.394 4.350 0.000 0.000 0.193 572 E C -0.178 176.228 176.600 -0.324 0.000 1.057 572 E CA 0.058 56.304 56.400 -0.257 0.000 0.866 572 E CB 0.056 29.547 29.700 -0.348 0.000 0.916 572 E HN 0.561 nan 8.360 nan 0.000 0.500 573 H N 1.362 120.480 119.070 0.080 0.000 2.458 573 H HA 0.394 4.950 4.556 0.000 0.000 0.330 573 H C -0.716 174.620 175.328 0.013 0.000 1.111 573 H CA -0.671 55.380 56.048 0.005 0.000 1.245 573 H CB 1.561 31.298 29.762 -0.042 0.000 1.456 573 H HN 0.016 nan 8.280 nan 0.000 0.488 574 R N 3.019 123.478 120.500 -0.068 0.000 2.387 574 R HA 0.489 4.829 4.340 0.000 0.000 0.314 574 R C -1.486 174.631 176.300 -0.306 0.000 0.958 574 R CA -0.670 55.325 56.100 -0.175 0.000 0.846 574 R CB 0.544 30.643 30.300 -0.334 0.000 1.147 574 R HN 0.379 nan 8.270 nan 0.000 0.447 575 L N 3.717 124.773 121.223 -0.278 0.000 2.393 575 L HA 0.425 4.765 4.340 0.000 0.000 0.260 575 L C -0.977 175.934 176.870 0.068 0.000 1.002 575 L CA -0.793 53.894 54.840 -0.255 0.000 0.818 575 L CB 1.441 43.142 42.059 -0.597 0.000 1.369 575 L HN 0.491 nan 8.230 nan 0.000 0.412 576 Y N 0.267 120.652 120.300 0.142 0.000 2.702 576 Y HA 0.015 4.565 4.550 0.000 0.000 0.336 576 Y C 1.312 177.249 175.900 0.062 0.000 1.235 576 Y CA 0.497 58.615 58.100 0.030 0.000 1.492 576 Y CB 0.291 38.675 38.460 -0.126 0.000 1.308 576 Y HN 0.532 nan 8.280 nan 0.000 0.589 577 T N 4.303 118.990 114.554 0.222 0.000 2.923 577 T HA -0.029 4.321 4.350 0.000 0.000 0.304 577 T C 1.282 176.012 174.700 0.052 0.000 1.044 577 T CA -0.172 61.986 62.100 0.098 0.000 1.141 577 T CB 0.116 68.978 68.868 -0.010 0.000 1.023 577 T HN 0.654 nan 8.240 nan 0.000 0.533 578 L N 4.613 125.799 121.223 -0.061 0.000 2.275 578 L HA -0.060 4.280 4.340 0.000 0.000 0.215 578 L C 2.497 179.322 176.870 -0.074 0.000 1.119 578 L CA 0.644 55.313 54.840 -0.284 0.000 0.790 578 L CB -0.406 41.052 42.059 -1.003 0.000 0.919 578 L HN 0.650 nan 8.230 nan 0.000 0.443 579 M N -1.110 118.520 119.600 0.051 0.000 2.630 579 M HA -0.085 4.395 4.480 0.000 0.000 0.254 579 M C 1.325 177.751 176.300 0.210 0.000 1.092 579 M CA 1.252 56.666 55.300 0.189 0.000 1.087 579 M CB -0.998 31.724 32.600 0.204 0.000 1.453 579 M HN 0.219 nan 8.290 nan 0.000 0.509 580 H N -1.152 117.986 119.070 0.113 0.000 2.529 580 H HA 0.241 4.797 4.556 0.000 0.000 0.277 580 H C -0.350 174.998 175.328 0.035 0.000 1.004 580 H CA -0.404 55.672 56.048 0.047 0.000 1.167 580 H CB -0.086 29.669 29.762 -0.012 0.000 1.445 580 H HN 0.309 nan 8.280 nan 0.000 0.554 581 D N 1.528 122.059 120.400 0.219 0.000 2.264 581 D HA 0.081 4.722 4.640 0.000 0.000 0.250 581 D C -1.335 175.065 176.300 0.166 0.000 1.113 581 D CA -1.936 52.191 54.000 0.211 0.000 0.871 581 D CB 1.902 42.878 40.800 0.293 0.000 1.167 581 D HN -0.012 nan 8.370 nan 0.000 0.447 582 P HA -0.121 nan 4.420 nan 0.000 0.222 582 P C 0.978 178.303 177.300 0.042 0.000 1.147 582 P CA 0.532 63.630 63.100 -0.003 0.000 0.790 582 P CB 0.418 32.080 31.700 -0.063 0.000 0.780 583 V N -1.781 118.202 119.914 0.115 0.000 2.672 583 V HA -0.108 4.012 4.120 0.000 0.000 0.242 583 V C 2.490 178.649 176.094 0.107 0.000 1.059 583 V CA 0.693 63.069 62.300 0.126 0.000 1.081 583 V CB -1.176 30.738 31.823 0.152 0.000 0.752 583 V HN -0.071 nan 8.190 nan 0.000 0.472 584 Y N 1.705 122.026 120.300 0.035 0.000 2.145 584 Y HA -0.292 4.258 4.550 0.000 0.000 0.286 584 Y C 2.760 178.620 175.900 -0.067 0.000 1.145 584 Y CA 2.381 60.478 58.100 -0.005 0.000 1.148 584 Y CB -0.041 38.455 38.460 0.061 0.000 0.981 584 Y HN 0.142 nan 8.280 nan 0.000 0.507 585 R N 0.720 121.346 120.500 0.210 0.000 2.091 585 R HA -0.153 4.187 4.340 0.000 0.000 0.238 585 R C 1.997 178.296 176.300 -0.003 0.000 1.136 585 R CA 2.023 58.214 56.100 0.151 0.000 0.959 585 R CB -0.944 29.501 30.300 0.242 0.000 0.856 585 R HN 0.528 nan 8.270 nan 0.000 0.437 586 L N -0.890 120.309 121.223 -0.040 0.000 2.141 586 L HA 0.033 4.373 4.340 0.000 0.000 0.209 586 L C 2.398 178.890 176.870 -0.631 0.000 1.094 586 L CA 1.276 56.039 54.840 -0.129 0.000 0.763 586 L CB -0.891 41.188 42.059 0.034 0.000 0.908 586 L HN 0.456 nan 8.230 nan 0.000 0.437 587 G N 0.593 108.864 108.800 -0.882 0.000 2.422 587 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 587 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 587 G C 1.506 175.521 174.900 -1.476 0.000 1.146 587 G CA 0.428 44.387 45.100 -1.901 0.000 0.769 587 G HN 0.153 nan 8.290 nan 0.000 0.547 588 I N 1.858 121.926 120.570 -0.838 0.000 2.315 588 I HA -0.070 4.100 4.170 0.000 0.000 0.248 588 I C 3.207 179.099 176.117 -0.375 0.000 1.117 588 I CA 0.930 61.912 61.300 -0.530 0.000 1.404 588 I CB -1.375 36.422 38.000 -0.337 0.000 1.071 588 I HN 0.253 nan 8.210 nan 0.000 0.419 589 A N 1.317 123.959 122.820 -0.297 0.000 1.933 589 A HA -0.190 4.130 4.320 0.000 0.000 0.218 589 A C 2.057 179.579 177.584 -0.104 0.000 1.175 589 A CA 1.515 53.481 52.037 -0.117 0.000 0.628 589 A CB -1.030 17.986 19.000 0.027 0.000 0.814 589 A HN 0.720 nan 8.150 nan 0.000 0.444 590 W N -0.912 120.335 121.300 -0.088 0.000 3.290 590 W HA 0.219 4.880 4.660 0.000 0.000 0.287 590 W C 1.276 177.719 176.519 -0.125 0.000 1.288 590 W CA 0.323 57.605 57.345 -0.104 0.000 1.725 590 W CB -0.512 28.906 29.460 -0.071 0.000 1.103 590 W HN 0.483 nan 8.180 nan 0.000 0.670 591 Q N 2.871 122.662 119.800 -0.015 0.000 2.152 591 Q HA -0.276 4.064 4.340 0.000 0.000 0.206 591 Q C 2.278 178.347 176.000 0.115 0.000 0.985 591 Q CA 2.558 58.396 55.803 0.059 0.000 0.863 591 Q CB -0.419 28.250 28.738 -0.114 0.000 0.904 591 Q HN 0.403 nan 8.270 nan 0.000 0.422 592 N N 1.124 119.810 118.700 -0.024 0.000 2.309 592 N HA -0.135 4.605 4.740 0.000 0.000 0.182 592 N C 1.018 176.547 175.510 0.032 0.000 1.018 592 N CA 0.734 53.757 53.050 -0.045 0.000 0.876 592 N CB -0.762 37.522 38.487 -0.339 0.000 0.972 592 N HN 0.455 nan 8.380 nan 0.000 0.434 593 I N -1.831 118.773 120.570 0.057 0.000 2.648 593 I HA 0.316 4.486 4.170 0.000 0.000 0.284 593 I C 1.197 177.360 176.117 0.077 0.000 1.153 593 I CA -0.284 61.058 61.300 0.070 0.000 1.426 593 I CB 0.771 38.820 38.000 0.081 0.000 1.381 593 I HN 0.280 nan 8.210 nan 0.000 0.571 594 A N 5.385 128.238 122.820 0.055 0.000 5.328 594 A HA -0.320 4.000 4.320 0.000 0.000 0.346 594 A C 0.163 177.799 177.584 0.088 0.000 1.675 594 A CA 1.731 53.746 52.037 -0.036 0.000 0.717 594 A CB -1.920 17.106 19.000 0.045 0.000 1.467 594 A HN 0.887 nan 8.150 nan 0.000 0.409 595 Y N 2.093 122.415 120.300 0.037 0.000 2.627 595 Y HA 0.347 4.897 4.550 0.000 0.000 0.347 595 Y C 0.558 176.488 175.900 0.051 0.000 1.099 595 Y CA -1.000 57.115 58.100 0.027 0.000 1.408 595 Y CB -1.006 37.473 38.460 0.033 0.000 1.247 595 Y HN 0.450 nan 8.280 nan 0.000 0.506 596 N N 3.352 122.207 118.700 0.258 0.000 2.217 596 N HA -0.069 4.671 4.740 0.000 0.000 0.268 596 N C -0.031 175.656 175.510 0.294 0.000 1.290 596 N CA 0.411 53.625 53.050 0.274 0.000 0.831 596 N CB 0.374 39.059 38.487 0.330 0.000 1.057 596 N HN 0.413 nan 8.380 nan 0.000 0.481 597 Q N 2.131 122.028 119.800 0.161 0.000 2.348 597 Q HA 0.520 4.860 4.340 0.000 0.000 0.271 597 Q C -2.370 173.380 176.000 -0.416 0.000 1.067 597 Q CA -1.797 53.958 55.803 -0.080 0.000 0.839 597 Q CB 1.712 30.367 28.738 -0.139 0.000 1.354 597 Q HN 0.415 nan 8.270 nan 0.000 0.447 598 P HA 0.236 nan 4.420 nan 0.000 0.274 598 P C -2.534 174.448 177.300 -0.531 0.000 1.237 598 P CA -1.275 61.161 63.100 -1.107 0.000 0.793 598 P CB 0.125 31.244 31.700 -0.969 0.000 0.977 599 P HA 0.344 nan 4.420 nan 0.000 0.279 599 P C -0.919 176.109 177.300 -0.453 0.000 1.252 599 P CA -0.062 62.690 63.100 -0.581 0.000 0.811 599 P CB 0.787 31.893 31.700 -0.989 0.000 1.035 600 H N -1.588 117.478 119.070 -0.006 0.000 2.865 600 H HA 0.464 5.021 4.556 0.000 0.000 0.372 600 H C 0.111 175.593 175.328 0.257 0.000 1.173 600 H CA -0.344 55.818 56.048 0.189 0.000 1.147 600 H CB 1.545 31.399 29.762 0.154 0.000 1.805 600 H HN 0.335 nan 8.280 nan 0.000 0.553 601 T N -1.470 113.288 114.554 0.340 0.000 2.918 601 T HA 0.161 4.511 4.350 0.000 0.000 0.283 601 T C 1.334 176.017 174.700 -0.028 0.000 1.001 601 T CA -0.244 61.858 62.100 0.004 0.000 1.041 601 T CB 1.328 69.787 68.868 -0.681 0.000 1.028 601 T HN 0.665 nan 8.240 nan 0.000 0.511 602 S N 0.322 116.035 115.700 0.022 0.000 2.481 602 S HA 0.087 4.557 4.470 0.000 0.000 0.231 602 S C 0.425 175.130 174.600 0.175 0.000 0.996 602 S CA -0.358 57.922 58.200 0.134 0.000 0.942 602 S CB -0.994 62.325 63.200 0.198 0.000 0.768 602 S HN 0.768 nan 8.310 nan 0.000 0.520 603 F N -0.848 119.182 119.950 0.133 0.000 2.575 603 F HA 0.745 5.272 4.527 0.000 0.000 0.330 603 F C -0.481 175.430 175.800 0.186 0.000 1.056 603 F CA -2.494 55.587 58.000 0.134 0.000 0.964 603 F CB 0.343 39.387 39.000 0.073 0.000 1.258 603 F HN -0.053 nan 8.300 nan 0.000 0.484 604 F N 3.652 123.729 119.950 0.212 0.000 2.466 604 F HA 0.371 4.898 4.527 0.000 0.000 0.363 604 F C -0.844 175.066 175.800 0.184 0.000 1.109 604 F CA -0.784 57.302 58.000 0.142 0.000 1.161 604 F CB 0.316 39.408 39.000 0.153 0.000 1.117 604 F HN 0.563 nan 8.300 nan 0.000 0.539 605 L N 7.739 128.604 121.223 -0.598 0.000 2.277 605 L HA 0.760 5.101 4.340 0.000 0.000 0.284 605 L C -0.088 176.286 176.870 -0.826 0.000 1.028 605 L CA 0.055 54.531 54.840 -0.606 0.000 0.835 605 L CB 0.216 41.864 42.059 -0.685 0.000 1.215 605 L HN 0.863 nan 8.230 nan 0.000 0.425 606 G N 2.813 111.065 108.800 -0.914 0.000 2.321 606 G HA2 0.035 3.995 3.960 0.000 0.000 0.296 606 G HA3 0.035 3.995 3.960 0.000 0.000 0.296 606 G C -1.868 172.931 174.900 -0.169 0.000 1.287 606 G CA -0.872 43.903 45.100 -0.542 0.000 0.846 606 G HN 0.496 nan 8.290 nan 0.000 0.508 607 D N -0.523 119.946 120.400 0.114 0.000 2.458 607 D HA 0.437 5.077 4.640 0.000 0.000 0.243 607 D C 1.424 177.879 176.300 0.260 0.000 1.146 607 D CA 2.228 56.318 54.000 0.150 0.000 0.877 607 D CB 0.418 41.302 40.800 0.140 0.000 1.176 607 D HN 1.786 nan 8.370 nan 0.000 0.461 608 G N 3.318 112.217 108.800 0.166 0.000 2.162 608 G HA2 -0.301 3.659 3.960 0.000 0.000 0.260 608 G HA3 -0.301 3.659 3.960 0.000 0.000 0.260 608 G C 0.580 175.617 174.900 0.229 0.000 0.976 608 G CA 0.492 45.695 45.100 0.171 0.000 0.655 608 G HN 0.727 nan 8.290 nan 0.000 0.533 609 M N 0.125 119.877 119.600 0.254 0.000 2.250 609 M HA 0.659 5.140 4.480 0.000 0.000 0.325 609 M C 0.712 177.095 176.300 0.138 0.000 1.084 609 M CA 0.304 55.769 55.300 0.275 0.000 1.161 609 M CB 0.611 33.249 32.600 0.064 0.000 1.481 609 M HN 0.991 nan 8.290 nan 0.000 0.449 610 A N 2.169 125.078 122.820 0.149 0.000 2.366 610 A HA 0.248 4.569 4.320 0.000 0.000 0.249 610 A C 0.100 177.693 177.584 0.015 0.000 1.084 610 A CA -0.677 51.404 52.037 0.074 0.000 0.794 610 A CB 0.099 19.147 19.000 0.080 0.000 1.034 610 A HN 0.880 nan 8.150 nan 0.000 0.491 611 E N 1.569 121.764 120.200 -0.009 0.000 2.351 611 E HA 0.115 4.465 4.350 0.000 0.000 0.266 611 E C -0.520 176.035 176.600 -0.076 0.000 1.031 611 E CA -0.167 56.204 56.400 -0.048 0.000 0.911 611 E CB -0.042 29.643 29.700 -0.025 0.000 0.986 611 E HN 0.615 nan 8.360 nan 0.000 0.446 612 Q N 3.521 123.221 119.800 -0.166 0.000 2.337 612 Q HA 0.288 4.628 4.340 0.000 0.000 0.270 612 Q C -1.964 173.974 176.000 -0.103 0.000 1.002 612 Q CA -1.580 54.057 55.803 -0.276 0.000 0.888 612 Q CB -0.160 28.176 28.738 -0.670 0.000 1.222 612 Q HN 0.384 nan 8.270 nan 0.000 0.400 613 P HA 0.028 nan 4.420 nan 0.000 0.274 613 P C -0.897 176.355 177.300 -0.080 0.000 1.237 613 P CA -0.495 62.579 63.100 -0.044 0.000 0.793 613 P CB 0.770 32.437 31.700 -0.055 0.000 0.977 614 K N 2.163 122.513 120.400 -0.083 0.000 2.451 614 K HA 0.111 4.432 4.320 0.000 0.000 0.280 614 K C -1.961 174.402 176.600 -0.395 0.000 1.020 614 K CA -1.118 54.949 56.287 -0.368 0.000 1.008 614 K CB -0.515 31.869 32.500 -0.194 0.000 0.917 614 K HN 0.295 nan 8.250 nan 0.000 0.478 615 P HA -0.051 nan 4.420 nan 0.000 0.264 615 P C -0.954 176.201 177.300 -0.243 0.000 1.183 615 P CA 0.019 62.910 63.100 -0.348 0.000 0.763 615 P CB 0.364 31.830 31.700 -0.389 0.000 0.807 616 N N 3.936 122.548 118.700 -0.146 0.000 2.555 616 N HA 0.273 5.013 4.740 0.000 0.000 0.244 616 N C -0.681 174.785 175.510 -0.073 0.000 1.114 616 N CA -0.144 52.854 53.050 -0.087 0.000 0.963 616 N CB -0.600 37.861 38.487 -0.042 0.000 1.276 616 N HN 0.332 nan 8.380 nan 0.000 0.510 617 M N 1.109 120.658 119.600 -0.086 0.000 2.575 617 M HA 0.544 5.024 4.480 0.000 0.000 0.284 617 M C -1.554 174.750 176.300 0.006 0.000 1.253 617 M CA -1.130 54.109 55.300 -0.100 0.000 0.861 617 M CB 2.168 34.624 32.600 -0.240 0.000 1.733 617 M HN 0.123 nan 8.290 nan 0.000 0.462 618 Y N -1.466 118.804 120.300 -0.050 0.000 2.605 618 Y HA 0.930 5.480 4.550 0.000 0.000 0.343 618 Y C -0.828 175.061 175.900 -0.019 0.000 1.036 618 Y CA -0.726 57.353 58.100 -0.035 0.000 1.065 618 Y CB 1.317 39.774 38.460 -0.005 0.000 1.288 618 Y HN 0.913 nan 8.280 nan 0.000 0.481 619 T N -0.377 114.237 114.554 0.099 0.000 2.918 619 T HA 0.704 5.054 4.350 0.000 0.000 0.286 619 T C -2.515 172.300 174.700 0.191 0.000 1.026 619 T CA -1.952 60.169 62.100 0.036 0.000 1.031 619 T CB 1.359 70.242 68.868 0.025 0.000 1.046 619 T HN 0.582 nan 8.240 nan 0.000 0.479 620 P HA 0.000 nan 4.420 nan 0.000 0.216 620 P CA 0.000 63.193 63.100 0.154 0.000 0.800 620 P CB 0.000 31.762 31.700 0.103 0.000 0.726